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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 (Q2T9S0), UniProt , Accession A0A096NPL3, Species PAPAN (Papio anubis, Olive baboon), Gene TUBB3, Length 450 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.3	Low	93.3	Very high	132 Å²	132	33.6 Å²	33.6	65%	0.65	15%	0.152	S	C	*	.				0	-129.5	0	-105.3	152.7	-82.3	0	0	104.9	E3 S48 C129	M1-E3 WeakPolarHBondContact CA-OE1 3.41Å; M1-E3 WeakPolarHBondContact CB-OE1 3.42Å; M1-E3 PolarHBondContact N-OE1 3.31Å; M1-S48 PolarHBondContact SD-OG 3.08Å; M1-C129 WeakPolarHBondContact O-CB 3.43Å
2	R	86	Confident	93.4	Very high	119 Å²	119	33.6 Å²	33.6	45%	0.449	16%	0.158	S	C	.	.			trans	-140.8	82.3	177.7	-88.2	-165.7	-178.4	168	-13.4	106.7	C129 Q131 D249	R2-C129 CarbonylContact C-O 3.5Å; R2-C129 VanDerWaalsContact CA-O 3.32Å; R2-C129 WeakPolarHBondContact CA-O 3.47Å; R2-Q131 VanDerWaalsContact CB-CD 3.46Å; R2-Q131 HydrophobicContact CB-CG 3.48Å; R2-Q131 VanDerWaalsContact CB-CG 3.48Å; R2-Q131 HydrophobicContact CG-CG 3.95Å; R2-Q131 PolarHBondContact O-NE2 3.48Å; R2-D249 IonicContact CZ-OD2 3.9Å; R2-D249 VanDerWaalsContact CZ-OD2 3.32Å; R2-D249 VanDerWaalsContact NH1-CB 3.28Å; R2-D249 VanDerWaalsContact NH1-CG 3.26Å; R2-D249 IonicContact NH1-OD2 2.7Å; R2-D249 PolarHBondContact NH1-OD2 3.11Å; R2-D249 IonicContact NH2-OD2 3.45Å
3	E	95.7	Very high	93.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	154.6	-166.6	-55.6	79.3	-163	0	0	113.1	M1 S48 C127 D128 C129 Q131	M1-E3 WeakPolarHBondContact CA-OE1 3.41Å; M1-E3 WeakPolarHBondContact CB-OE1 3.42Å; M1-E3 PolarHBondContact N-OE1 3.31Å; E3-S48 VanDerWaalsContact CG-O 3.28Å; E3-S48 WeakPolarHBondContact CG-O 3.35Å; E3-C127 HydrophobicContact CB-CB 3.97Å; E3-C127 HydrophobicContact CG-CB 4.35Å; E3-D128 PolarHBondContact OE2-N 3.3Å; E3-C129 PolarHBondContact N-O 3.13Å; E3-C129 WeakPolarHBondContact OE2-CA 2.85Å; E3-C129 PolarHBondContact OE2-N 3.47Å; E3-Q131 PolarHBondContact O-N 3.33Å
4	I	97.1	Very high	93.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.4	-179.8	-62.6	169.6	0	0	0	108.6	V49 Y50 Q131 G132 Q134 L240 L250	I4-V49 HydrophobicContact CD1-CG1 3.84Å; I4-V49 HydrophobicContact CG1-CG1 4.13Å; I4-V49 PolarHBondContact N-O 3.01Å; I4-Y50 HydrophobicContact CB-CE1 4.18Å; I4-Y50 HydrophobicContact CD1-CE2 4.27Å; I4-Y50 HydrophobicContact CG2-CE1 3.93Å; I4-Q131 HydrophobicContact CG1-CB 4.48Å; I4-G132 WeakPolarHBondContact CA-O 3.46Å; I4-Q134 HydrophobicContact CG2-CB 3.95Å; I4-L240 HydrophobicContact CD1-CD1 3.65Å; I4-L250 HydrophobicContact CD1-CD1 3.81Å; I4-L250 HydrophobicContact CD1-CG 4.06Å; I4-L250 HydrophobicContact CG1-CD1 4Å
5	V	98.3	Very high	94	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.3	170.4	176.2	0	0	0	0	108.6	I7 I64 E123 L130 G132 F133 Q134	V5-I7 HydrophobicContact CG1-CG1 4.38Å; V5-I64 HydrophobicContact CG1-CD1 3.81Å; V5-I64 HydrophobicContact CG1-CG1 4.35Å; V5-E123 HydrophobicContact CG1-CB 4.21Å; V5-E123 HydrophobicContact CG2-CB 4.03Å; V5-L130 HydrophobicContact CG2-CD1 3.92Å; V5-G132 PolarHBondContact N-O 2.89Å; V5-F133 HydrophobicContact CB-CD1 3.87Å; V5-F133 HydrophobicContact CB-CE1 4.09Å; V5-F133 HydrophobicContact CG1-CD1 4.24Å; V5-F133 HydrophobicContact CG1-CE1 4.44Å; V5-F133 WeakPolarHBondContact O-CA 2.82Å; V5-Q134 PolarHBondContact O-N 3.17Å
6	H	98.4	Very high	94.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.6	-179.9	-177.9	-154.8	0	0	0	110.4	Q8 F20 W21 Y50 R62 A63 I64 Q134 T136	H6-Q8 PolarHBondContact CE1-NE2 3.46Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.26Å; H6-Q8 PolarHBondContact ND1-NE2 3.12Å; H6-F20 AromaticContact CE1-CD1 3.58Å; H6-F20 AromaticContact ND1-CD1 3.87Å; H6-F20 AromaticContact ND1-CE1 3.97Å; H6-W21 HydrophobicContact CB-CZ2 3.88Å; H6-W21 AromaticContact CE1-NE1 3.83Å; H6-W21 AromaticContact ND1-CE2 3.53Å; H6-W21 AromaticContact ND1-CZ2 3.6Å; H6-W21 AromaticContact ND1-NE1 3.17Å; H6-W21 PolarHBondContact ND1-NE1 2.91Å; H6-W21 VanDerWaalsContact ND1-NE1 3.17Å; H6-Y50 HydrophobicContact CB-CE1 4.48Å; H6-R62 PolarHBondContact N-O 2.8Å; H6-A63 CarbonylContact O-C 3.41Å; H6-A63 VanDerWaalsContact O-CA 3.25Å; H6-A63 WeakPolarHBondContact O-CA 3.26Å; H6-I64 PolarHBondContact O-N 2.7Å; H6-Q134 CarbonylContact C-O 3.49Å; H6-Q134 VanDerWaalsContact CA-O 3.31Å; H6-Q134 WeakPolarHBondContact CA-O 3.4Å; H6-Q134 PolarHBondContact CD2-O 3.29Å; H6-Q134 VanDerWaalsContact CD2-O 3.3Å; H6-T136 PolarHBondContact NE2-OG1 3.48Å
7	I	98.6	Very high	94.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.2	179.3	-55.1	174.6	0	0	0	108.7	V5 I64 V120 F133 Q134 L135 T136 L151 V155	V5-I7 HydrophobicContact CG1-CG1 4.38Å; I7-I64 WeakPolarHBondContact CA-O 3.43Å; I7-V120 HydrophobicContact CD1-CG2 4.03Å; I7-F133 HydrophobicContact CD1-CD1 4.21Å; I7-Q134 PolarHBondContact N-O 3.32Å; I7-L135 HydrophobicContact CB-CB 4.46Å; I7-L135 HydrophobicContact CB-CD1 4.25Å; I7-L135 HydrophobicContact CB-CG 4.36Å; I7-L135 HydrophobicContact CG2-CD1 4.06Å; I7-L135 HydrophobicContact CG2-CG 4.46Å; I7-L135 CarbonylContact O-C 3.56Å; I7-L135 VanDerWaalsContact O-CA 3.3Å; I7-L135 WeakPolarHBondContact O-CA 3.41Å; I7-T136 PolarHBondContact O-N 3.34Å; I7-L151 HydrophobicContact CG2-CD1 4.46Å; I7-V155 HydrophobicContact CD1-CG2 4.37Å
8	Q	98.3	Very high	94.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.6	179.1	-63.2	170.2	6	0	0	108.5	H6 N14 G17 I64 V66	H6-Q8 PolarHBondContact CE1-NE2 3.46Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.26Å; H6-Q8 PolarHBondContact ND1-NE2 3.12Å; Q8-N14 WeakPolarHBondContact CB-OD1 3.5Å; Q8-G17 VanDerWaalsContact NE2-C 3.28Å; Q8-G17 PolarHBondContact NE2-O 3.17Å; Q8-I64 PolarHBondContact N-O 2.86Å; Q8-V66 PolarHBondContact O-N 3.44Å
9	A	97.8	Very high	94.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.9	-174.2	0	0	0	0	0	112.2	T136 H137	A9-T136 PolarHBondContact N-O 2.94Å; A9-H137 HydrophobicContact CB-CB 4.18Å
10	G	96.4	Very high	94.6	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	72.8	175.8	177.8	0	0	0	0	0	114.2	C12 G13 N14 V66	G10-C12 PolarHBondContact O-N 3.37Å; G10-G13 PolarHBondContact O-N 3.27Å; G10-N14 PolarHBondContact O-N 3.49Å; G10-N14 PolarHBondContact O-ND2 3.46Å; G10-V66 PolarHBondContact N-O 3.3Å
11	Q	94.5	Very high	94.7	Very high	115 Å²	115	27 Å²	27	54%	0.537	13%	0.129	S	C	.	.	H	α-helix	trans	-51.8	-51.2	-175.9	-174.5	-176.4	-31	0	0	113.3	Q15 D67	Q11-Q15 WeakPolarHBondContact O-CB 3.34Å; Q11-Q15 VanDerWaalsContact O-CG 3.26Å; Q11-Q15 WeakPolarHBondContact O-CG 3.39Å; Q11-Q15 PolarHBondContact O-N 3.43Å; Q11-D67 PolarHBondContact N-OD2 3.06Å; Q11-D67 VanDerWaalsContact N-OD2 3.12Å
12	C	94.2	Very high	96.1	Very high	33 Å²	33	23 Å²	23	22%	0.223	11%	0.109	C	C	.	.	H	α-helix	trans	-61.8	-47	-179.9	-175.1	0	0	0	0	111.9	G10 N14 Q15 I16	G10-C12 PolarHBondContact O-N 3.37Å; C12-N14 PolarHBondContact O-N 3.49Å; C12-Q15 PolarHBondContact O-N 2.75Å; C12-I16 WeakPolarHBondContact O-CG1 3.07Å; C12-I16 PolarHBondContact O-N 3.35Å
13	G	96.9	Very high	96.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-44	-178.9	0	0	0	0	0	112.6	G10 G17 T136	G10-G13 PolarHBondContact O-N 3.27Å; G13-G17 WeakPolarHBondContact O-CA 3.14Å; G13-G17 PolarHBondContact O-N 2.9Å; G13-T136 VanDerWaalsContact CA-O 3.23Å; G13-T136 WeakPolarHBondContact CA-O 3.44Å
14	N	97.1	Very high	96.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-70.5	-36.6	178.3	-73	-69.6	0	0	0	113	Q8 G10 C12 A18 L65 V66 T72 M73 V76	Q8-N14 WeakPolarHBondContact CB-OD1 3.5Å; G10-N14 PolarHBondContact O-N 3.49Å; G10-N14 PolarHBondContact O-ND2 3.46Å; C12-N14 PolarHBondContact O-N 3.49Å; N14-A18 WeakPolarHBondContact O-CB 3.26Å; N14-A18 PolarHBondContact O-N 3.04Å; N14-L65 WeakPolarHBondContact OD1-CB 3.3Å; N14-V66 PolarHBondContact ND2-O 2.95Å; N14-T72 HydrophobicContact CB-CG2 3.51Å; N14-M73 HydrophobicContact CB-CE 4.18Å; N14-M73 VanDerWaalsContact CG-CE 3.43Å; N14-M73 WeakPolarHBondContact ND2-CE 3.32Å; N14-M73 WeakPolarHBondContact OD1-CE 3.48Å; N14-V76 HydrophobicContact CB-CG2 4.29Å
15	Q	95.6	Very high	96.4	Very high	75 Å²	75	18.6 Å²	18.6	35%	0.35	10%	0.095	S	C	.	.	H	α-helix	trans	-68.8	-43.6	177.4	-72.7	-178.3	10.7	0	0	112.5	Q11 C12 K19	Q11-Q15 WeakPolarHBondContact O-CB 3.34Å; Q11-Q15 VanDerWaalsContact O-CG 3.26Å; Q11-Q15 WeakPolarHBondContact O-CG 3.39Å; Q11-Q15 PolarHBondContact O-N 3.43Å; C12-Q15 PolarHBondContact O-N 2.75Å; Q15-K19 PolarHBondContact O-N 2.76Å
16	I	96.7	Very high	96.1	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-65.7	-46.3	174.1	-68.6	169.3	0	0	0	109.7	C12 A18 K19 F20 T136 V169 N226 V229 M233	C12-I16 WeakPolarHBondContact O-CG1 3.07Å; C12-I16 PolarHBondContact O-N 3.35Å; I16-A18 PolarHBondContact O-N 3.15Å; I16-K19 PolarHBondContact O-N 3.35Å; I16-K19 VanDerWaalsContact O-N 3.15Å; I16-F20 PolarHBondContact O-N 3.41Å; I16-T136 HydrophobicContact CB-CG2 3.94Å; I16-T136 HydrophobicContact CG2-CG2 3.69Å; I16-V169 HydrophobicContact CD1-CG2 3.47Å; I16-V169 VanDerWaalsContact CD1-CG2 3.47Å; I16-N226 HydrophobicContact CG1-CB 4.17Å; I16-N226 VanDerWaalsContact CG1-OD1 3.31Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.31Å; I16-V229 HydrophobicContact CD1-CG1 4.22Å; I16-V229 HydrophobicContact CG2-CB 4.25Å; I16-V229 HydrophobicContact CG2-CG1 3.59Å; I16-M233 HydrophobicContact CG2-SD 3.45Å; I16-M233 WeakPolarHBondContact CG2-SD 3.28Å
17	G	96.8	Very high	95.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.8	-45	-179	0	0	0	0	0	113.1	Q8 G13 K19 F20 W21	Q8-G17 VanDerWaalsContact NE2-C 3.28Å; Q8-G17 PolarHBondContact NE2-O 3.17Å; G13-G17 WeakPolarHBondContact O-CA 3.14Å; G13-G17 PolarHBondContact O-N 2.9Å; G17-K19 VanDerWaalsContact C-N 3.31Å; G17-K19 PolarHBondContact O-N 3.23Å; G17-F20 WeakPolarHBondContact O-CB 3.46Å; G17-F20 PolarHBondContact O-N 3.15Å; G17-W21 PolarHBondContact O-N 2.77Å
18	A	96.1	Very high	95.5	Very high	20 Å²	20	21.8 Å²	21.8	17%	0.165	11%	0.112	C	C	.	.	H	α-helix	trans	-55.8	-48.5	172.9	0	0	0	0	0	110.6	N14 I16 F20 W21 E22 V76	N14-A18 WeakPolarHBondContact O-CB 3.26Å; N14-A18 PolarHBondContact O-N 3.04Å; I16-A18 PolarHBondContact O-N 3.15Å; A18-F20 VanDerWaalsContact C-N 3.35Å; A18-F20 PolarHBondContact O-N 3.27Å; A18-W21 PolarHBondContact O-N 3.45Å; A18-E22 WeakPolarHBondContact O-CG 3.45Å; A18-E22 PolarHBondContact O-N 3.15Å; A18-E22 VanDerWaalsContact O-N 3.11Å; A18-V76 HydrophobicContact CB-CG1 4.37Å; A18-V76 HydrophobicContact CB-CG2 4.33Å
19	K	95.5	Very high	95.3	Very high	66 Å²	66	22.1 Å²	22.1	29%	0.287	12%	0.116	S	C	.	.	H	α-helix	trans	-64.5	-38	179.1	-168.9	63	-173.7	169.9	0	113	Q15 I16 G17 E22 V23 S230	Q15-K19 PolarHBondContact O-N 2.76Å; I16-K19 PolarHBondContact O-N 3.35Å; I16-K19 VanDerWaalsContact O-N 3.15Å; G17-K19 VanDerWaalsContact C-N 3.31Å; G17-K19 PolarHBondContact O-N 3.23Å; K19-E22 VanDerWaalsContact CD-OE2 3.31Å; K19-E22 WeakPolarHBondContact CD-OE2 3.47Å; K19-E22 IonicContact NZ-OE2 3.82Å; K19-E22 PolarHBondContact NZ-OE2 3.29Å; K19-E22 WeakPolarHBondContact O-CB 3.49Å; K19-E22 PolarHBondContact O-N 3.26Å; K19-V23 WeakPolarHBondContact O-CG2 3.41Å; K19-V23 PolarHBondContact O-N 3.03Å; K19-V23 VanDerWaalsContact O-N 3.12Å; K19-S230 WeakPolarHBondContact CG-OG 3.5Å
20	F	96.8	Very high	95.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.7	-46.5	173.6	169.2	-105.9	0	0	0	111.6	H6 I16 G17 A18 E22 V23 I24 Y50 M233	H6-F20 AromaticContact CE1-CD1 3.58Å; H6-F20 AromaticContact ND1-CD1 3.87Å; H6-F20 AromaticContact ND1-CE1 3.97Å; I16-F20 PolarHBondContact O-N 3.41Å; G17-F20 WeakPolarHBondContact O-CB 3.46Å; G17-F20 PolarHBondContact O-N 3.15Å; A18-F20 VanDerWaalsContact C-N 3.35Å; A18-F20 PolarHBondContact O-N 3.27Å; F20-E22 VanDerWaalsContact C-N 3.34Å; F20-E22 PolarHBondContact O-N 2.76Å; F20-V23 PolarHBondContact O-N 3.28Å; F20-V23 VanDerWaalsContact O-N 3.13Å; F20-I24 HydrophobicContact CD1-CD1 4.32Å; F20-I24 HydrophobicContact CD2-CG2 4.03Å; F20-I24 HydrophobicContact CE1-CD1 3.64Å; F20-I24 HydrophobicContact CE1-CG1 4.24Å; F20-I24 HydrophobicContact CE1-CG2 4.48Å; F20-I24 HydrophobicContact CE2-CG2 3.51Å; F20-I24 HydrophobicContact CZ-CD1 3.8Å; F20-I24 HydrophobicContact CZ-CG1 4.33Å; F20-I24 HydrophobicContact CZ-CG2 3.79Å; F20-I24 WeakPolarHBondContact O-CG1 3.27Å; F20-I24 PolarHBondContact O-N 3.31Å; F20-Y50 HydrophobicContact CE1-CE1 4.34Å; F20-Y50 HydrophobicContact CZ-CE1 4.39Å; F20-M233 HydrophobicContact CB-CE 4.07Å; F20-M233 HydrophobicContact CB-SD 4.24Å; F20-M233 HydrophobicContact CD1-CE 4.23Å; F20-M233 HydrophobicContact CD2-CB 3.53Å; F20-M233 HydrophobicContact CD2-CE 4.04Å; F20-M233 HydrophobicContact CD2-SD 4.41Å; F20-M233 HydrophobicContact CE2-CB 3.82Å; F20-M233 HydrophobicContact CG-CB 4.42Å; F20-M233 HydrophobicContact CG-CE 3.84Å; F20-M233 HydrophobicContact CG-SD 4.44Å
21	W	97	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-38.4	177	-74.1	110.2	0	0	0	112.7	H6 G17 A18 V23 I24 S25 Y50 Y51 P61 A63 F85	H6-W21 HydrophobicContact CB-CZ2 3.88Å; H6-W21 AromaticContact CE1-NE1 3.83Å; H6-W21 AromaticContact ND1-CE2 3.53Å; H6-W21 AromaticContact ND1-CZ2 3.6Å; H6-W21 AromaticContact ND1-NE1 3.17Å; H6-W21 PolarHBondContact ND1-NE1 2.91Å; H6-W21 VanDerWaalsContact ND1-NE1 3.17Å; G17-W21 PolarHBondContact O-N 2.77Å; A18-W21 PolarHBondContact O-N 3.45Å; W21-V23 VanDerWaalsContact C-N 3.32Å; W21-V23 PolarHBondContact O-N 3.13Å; W21-I24 HydrophobicContact CD2-CD1 4.23Å; W21-I24 HydrophobicContact CE3-CD1 3.49Å; W21-I24 VanDerWaalsContact CE3-CD1 3.49Å; W21-I24 HydrophobicContact CE3-CG1 3.94Å; W21-I24 HydrophobicContact CH2-CD1 4.24Å; W21-I24 HydrophobicContact CZ3-CD1 3.5Å; W21-I24 HydrophobicContact CZ3-CG1 4.41Å; W21-I24 PolarHBondContact O-N 2.97Å; W21-S25 WeakPolarHBondContact O-CB 3.28Å; W21-S25 PolarHBondContact O-N 3.47Å; W21-S25 PolarHBondContact O-OG 3.46Å; W21-Y50 AromaticContact CH2-CD1 3.84Å; W21-Y50 HydrophobicContact CH2-CD1 3.84Å; W21-Y50 HydrophobicContact CH2-CG 4.24Å; W21-Y50 VanDerWaalsContact CH2-O 3.3Å; W21-Y50 WeakPolarHBondContact CH2-O 3.47Å; W21-Y50 HydrophobicContact CZ2-CD1 4.37Å; W21-Y51 HydrophobicContact CE3-CE1 4.22Å; W21-Y51 AromaticContact CE3-CZ 3.88Å; W21-Y51 HydrophobicContact CZ3-CD1 4.5Å; W21-Y51 HydrophobicContact CZ3-CD2 4.49Å; W21-Y51 HydrophobicContact CZ3-CE1 4.01Å; W21-Y51 AromaticContact CZ3-CE2 3.99Å; W21-Y51 HydrophobicContact CZ3-CE2 3.99Å; W21-Y51 AromaticContact CZ3-CZ 3.72Å; W21-P61 HydrophobicContact CD2-CB 3.97Å; W21-P61 HydrophobicContact CD2-CG 4.15Å; W21-P61 HydrophobicContact CE3-CB 3.73Å; W21-P61 HydrophobicContact CE3-CG 3.74Å; W21-P61 HydrophobicContact CH2-CB 3.56Å; W21-P61 HydrophobicContact CH2-CG 4.43Å; W21-P61 HydrophobicContact CZ2-CB 3.78Å; W21-P61 HydrophobicContact CZ3-CB 3.52Å; W21-P61 HydrophobicContact CZ3-CG 3.89Å; W21-A63 HydrophobicContact CZ2-CB 3.59Å; W21-F85 HydrophobicContact CB-CE1 4.25Å; W21-F85 HydrophobicContact CB-CZ 3.8Å; W21-F85 AromaticContact CD1-CE1 3.35Å; W21-F85 AromaticContact CD1-CZ 3.42Å; W21-F85 VanDerWaalsContact CD1-CZ 3.42Å; W21-F85 HydrophobicContact CD2-CE1 4.07Å; W21-F85 HydrophobicContact CD2-CZ 4.5Å; W21-F85 AromaticContact CG-CE1 3.65Å; W21-F85 HydrophobicContact CG-CE1 3.65Å; W21-F85 AromaticContact CG-CZ 3.65Å; W21-F85 HydrophobicContact CG-CZ 3.65Å; W21-F85 AromaticContact NE1-CE1 3.61Å
22	E	95.1	Very high	95.2	Very high	50 Å²	50	20.8 Å²	20.8	23%	0.234	11%	0.114	C	C	.	.	H	α-helix	trans	-56.6	-47.9	171.6	-56.4	-175.4	176.8	0	0	111.2	A18 K19 F20 D26 F81	A18-E22 WeakPolarHBondContact O-CG 3.45Å; A18-E22 PolarHBondContact O-N 3.15Å; A18-E22 VanDerWaalsContact O-N 3.11Å; K19-E22 VanDerWaalsContact CD-OE2 3.31Å; K19-E22 WeakPolarHBondContact CD-OE2 3.47Å; K19-E22 IonicContact NZ-OE2 3.82Å; K19-E22 PolarHBondContact NZ-OE2 3.29Å; K19-E22 WeakPolarHBondContact O-CB 3.49Å; K19-E22 PolarHBondContact O-N 3.26Å; F20-E22 VanDerWaalsContact C-N 3.34Å; F20-E22 PolarHBondContact O-N 2.76Å; E22-D26 WeakPolarHBondContact O-CB 3.41Å; E22-D26 PolarHBondContact O-N 3.33Å; E22-F81 HydrophobicContact CB-CD2 4.17Å; E22-F81 HydrophobicContact CB-CE2 4.02Å; E22-F81 HydrophobicContact CG-CD2 3.54Å; E22-F81 HydrophobicContact CG-CE2 3.86Å; E22-F81 HydrophobicContact CG-CG 4.14Å
23	V	94	Very high	95.1	Very high	25 Å²	25	22.6 Å²	22.6	15%	0.152	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-47.4	-177.4	173.1	0	0	0	0	111.4	K19 F20 W21 D26 E27	K19-V23 WeakPolarHBondContact O-CG2 3.41Å; K19-V23 PolarHBondContact O-N 3.03Å; K19-V23 VanDerWaalsContact O-N 3.12Å; F20-V23 PolarHBondContact O-N 3.28Å; F20-V23 VanDerWaalsContact O-N 3.13Å; W21-V23 VanDerWaalsContact C-N 3.32Å; W21-V23 PolarHBondContact O-N 3.13Å; V23-D26 WeakPolarHBondContact O-CB 3.28Å; V23-D26 PolarHBondContact O-N 3.16Å; V23-E27 WeakPolarHBondContact O-CG 3.44Å; V23-E27 PolarHBondContact O-N 3Å; V23-E27 VanDerWaalsContact O-N 3.12Å
24	I	94.8	Very high	95.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-76.7	-29.6	-178.5	64.7	159.8	0	0	0	112.6	F20 W21 D26 E27 H28 Y50 Y51	F20-I24 HydrophobicContact CD1-CD1 4.32Å; F20-I24 HydrophobicContact CD2-CG2 4.03Å; F20-I24 HydrophobicContact CE1-CD1 3.64Å; F20-I24 HydrophobicContact CE1-CG1 4.24Å; F20-I24 HydrophobicContact CE1-CG2 4.48Å; F20-I24 HydrophobicContact CE2-CG2 3.51Å; F20-I24 HydrophobicContact CZ-CD1 3.8Å; F20-I24 HydrophobicContact CZ-CG1 4.33Å; F20-I24 HydrophobicContact CZ-CG2 3.79Å; F20-I24 WeakPolarHBondContact O-CG1 3.27Å; F20-I24 PolarHBondContact O-N 3.31Å; W21-I24 HydrophobicContact CD2-CD1 4.23Å; W21-I24 HydrophobicContact CE3-CD1 3.49Å; W21-I24 VanDerWaalsContact CE3-CD1 3.49Å; W21-I24 HydrophobicContact CE3-CG1 3.94Å; W21-I24 HydrophobicContact CH2-CD1 4.24Å; W21-I24 HydrophobicContact CZ3-CD1 3.5Å; W21-I24 HydrophobicContact CZ3-CG1 4.41Å; W21-I24 PolarHBondContact O-N 2.97Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-E27 PolarHBondContact O-N 2.82Å; I24-H28 WeakPolarHBondContact O-CB 3.25Å; I24-H28 PolarHBondContact O-CD2 3.44Å; I24-H28 PolarHBondContact O-N 3.03Å; I24-Y50 HydrophobicContact CD1-CG 4.22Å; I24-Y51 HydrophobicContact CD1-CE2 4.22Å
25	S	95.3	Very high	95	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.3	-46.6	169.3	-74.6	0	0	0	0	110.3	W21 E27 H28 G29 I30 Y51 L84	W21-S25 WeakPolarHBondContact O-CB 3.28Å; W21-S25 PolarHBondContact O-N 3.47Å; W21-S25 PolarHBondContact O-OG 3.46Å; S25-E27 VanDerWaalsContact C-N 3.31Å; S25-E27 PolarHBondContact O-N 2.97Å; S25-H28 CarbonylContact O-C 3.43Å; S25-H28 PolarHBondContact O-N 3.16Å; S25-G29 PolarHBondContact O-N 3.06Å; S25-I30 PolarHBondContact O-N 2.97Å; S25-Y51 VanDerWaalsContact CA-OH 3.3Å; S25-Y51 WeakPolarHBondContact CA-OH 3.46Å; S25-Y51 PolarHBondContact N-OH 3.25Å; S25-Y51 PolarHBondContact OG-OH 3.36Å; S25-L84 WeakPolarHBondContact OG-CD2 3.37Å
26	D	92.1	Very high	95	Very high	59 Å²	59	25.1 Å²	25.1	32%	0.316	14%	0.139	S	C	.	.	H	α-helix	trans	-57.7	-42	175.2	-91.4	-20	0	0	0	112.6	E22 V23 I24 G29 R359	E22-D26 WeakPolarHBondContact O-CB 3.41Å; E22-D26 PolarHBondContact O-N 3.33Å; V23-D26 WeakPolarHBondContact O-CB 3.28Å; V23-D26 PolarHBondContact O-N 3.16Å; I24-D26 VanDerWaalsContact C-N 3.34Å; D26-G29 PolarHBondContact O-N 3.39Å; D26-R359 IonicContact OD1-CZ 3.9Å; D26-R359 IonicContact OD1-NH1 2.75Å; D26-R359 PolarHBondContact OD1-NH1 3.49Å; D26-R359 IonicContact OD2-NH1 2.66Å
27	E	92	Very high	94.9	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-68.1	-38.1	178.6	-70.8	177.9	-172.8	0	0	113.2	V23 I24 S25 G29 Q43 S234 R241 F242 R318	V23-E27 WeakPolarHBondContact O-CG 3.44Å; V23-E27 PolarHBondContact O-N 3Å; V23-E27 VanDerWaalsContact O-N 3.12Å; I24-E27 PolarHBondContact O-N 2.82Å; S25-E27 VanDerWaalsContact C-N 3.31Å; S25-E27 PolarHBondContact O-N 2.97Å; E27-G29 VanDerWaalsContact C-N 3.25Å; E27-G29 PolarHBondContact O-N 2.94Å; E27-Q43 WeakPolarHBondContact O-CG 3.49Å; E27-Q43 PolarHBondContact O-NE2 3.42Å; E27-S234 PolarHBondContact OE1-OG 3.07Å; E27-S234 PolarHBondContact OE2-OG 3.2Å; E27-R241 IonicContact OE2-CZ 3.94Å; E27-R241 VanDerWaalsContact OE2-CZ 3.23Å; E27-R241 IonicContact OE2-NH1 3.55Å; E27-R241 PolarHBondContact OE2-NH1 3.26Å; E27-R241 IonicContact OE2-NH2 2.9Å; E27-R241 PolarHBondContact OE2-NH2 3.41Å; E27-F242 HydrophobicContact CB-CZ 4.19Å; E27-R318 IonicContact OE1-CZ 3.53Å; E27-R318 IonicContact OE1-NH1 2.77Å; E27-R318 PolarHBondContact OE1-NH1 3.25Å; E27-R318 IonicContact OE1-NH2 2.92Å; E27-R318 PolarHBondContact OE1-NH2 3.15Å; E27-R318 VanDerWaalsContact OE1-NH2 3.07Å; E27-R318 IonicContact OE2-CZ 3.55Å; E27-R318 IonicContact OE2-NH1 3.17Å; E27-R318 PolarHBondContact OE2-NH1 3.38Å; E27-R318 IonicContact OE2-NH2 2.9Å; E27-R318 PolarHBondContact OE2-NH2 3.41Å
28	H	93.1	Very high	94.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2.9	175.8	-74.1	-70.8	0	0	0	113.4	I24 S25 I30 Y36 Q43 I47 R241 F242	I24-H28 WeakPolarHBondContact O-CB 3.25Å; I24-H28 PolarHBondContact O-CD2 3.44Å; I24-H28 PolarHBondContact O-N 3.03Å; S25-H28 CarbonylContact O-C 3.43Å; S25-H28 PolarHBondContact O-N 3.16Å; H28-I30 VanDerWaalsContact C-N 3.28Å; H28-I30 HydrophobicContact CB-CG1 3.94Å; H28-I30 PolarHBondContact O-N 2.91Å; H28-Y36 WeakPolarHBondContact O-CD2 3.37Å; H28-Q43 PolarHBondContact ND1-O 3.03Å; H28-I47 HydrophobicContact CB-CD1 4.08Å; H28-I47 HydrophobicContact CB-CG1 4.47Å; H28-R241 PolarHBondContact NE2-NH1 2.7Å; H28-F242 AromaticContact CE1-CE1 3.69Å; H28-F242 AromaticContact CE1-CZ 3.86Å; H28-F242 AromaticContact ND1-CE1 3.96Å
29	G	93.5	Very high	94.2	Very high	8 Å²	8	37.3 Å²	37.3	8%	0.082	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	30.9	-179.7	0	0	0	0	0	113.2	S25 D26 E27 Y36 V37 G38	S25-G29 PolarHBondContact O-N 3.06Å; D26-G29 PolarHBondContact O-N 3.39Å; E27-G29 VanDerWaalsContact C-N 3.25Å; E27-G29 PolarHBondContact O-N 2.94Å; G29-Y36 CarbonylContact O-C 3.32Å; G29-Y36 WeakPolarHBondContact O-CA 3.26Å; G29-V37 WeakPolarHBondContact O-CG2 3.4Å; G29-V37 PolarHBondContact O-N 3.01Å; G29-G38 PolarHBondContact O-N 3.16Å
30	I	95.4	Very high	93.8	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-96.6	123.4	-179.7	-56.4	-51.1	0	0	0	109.7	S25 H28 N35 Y36 I47 Y59 L84	S25-I30 PolarHBondContact O-N 2.97Å; H28-I30 VanDerWaalsContact C-N 3.28Å; H28-I30 HydrophobicContact CB-CG1 3.94Å; H28-I30 PolarHBondContact O-N 2.91Å; I30-N35 WeakPolarHBondContact CA-O 3.29Å; I30-Y36 HydrophobicContact CD1-CD2 4.17Å; I30-I47 HydrophobicContact CD1-CD1 3.82Å; I30-I47 HydrophobicContact CG1-CD1 4.04Å; I30-Y59 HydrophobicContact CD1-CD2 3.38Å; I30-Y59 HydrophobicContact CD1-CE2 4.03Å; I30-Y59 HydrophobicContact CD1-CG 3.86Å; I30-Y59 HydrophobicContact CG1-CD2 4.48Å; I30-L84 HydrophobicContact CG2-CD1 4.24Å
31	D	95.3	Very high	93.3	Very high	35 Å²	35	42.6 Å²	42.6	19%	0.187	25%	0.245	C	C	.	.			trans	-76.1	167.6	174.9	78.8	11.6	0	0	0	111.7	S33 G34 N35 V37	D31-S33 PolarHBondContact O-N 2.9Å; D31-S33 VanDerWaalsContact OD1-C 3.3Å; D31-S33 VanDerWaalsContact OD1-CA 3.25Å; D31-S33 WeakPolarHBondContact OD1-CA 3.41Å; D31-S33 VanDerWaalsContact OD1-CB 3.28Å; D31-S33 WeakPolarHBondContact OD1-CB 3.39Å; D31-S33 PolarHBondContact OD1-N 2.86Å; D31-G34 PolarHBondContact O-N 3.01Å; D31-G34 PolarHBondContact OD1-N 3.31Å; D31-N35 PolarHBondContact N-O 3.01Å; D31-N35 PolarHBondContact OD1-N 3.44Å; D31-N35 PolarHBondContact OD1-ND2 2.83Å; D31-N35 PolarHBondContact OD2-ND2 3.4Å; D31-N35 VanDerWaalsContact OD2-ND2 3.15Å; D31-V37 HydrophobicContact CB-CG1 4.16Å; D31-V37 HydrophobicContact CB-CG2 4.01Å
32	P	95.4	Very high	92.8	Very high	52 Å²	52	46 Å²	46	34%	0.338	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.8	179.1	-22.6	33	0	0	0	115.6	A80 F81	P32-A80 VanDerWaalsContact CB-O 3.28Å; P32-A80 WeakPolarHBondContact CB-O 3.31Å; P32-F81 HydrophobicContact CB-CD1 4.1Å; P32-F81 HydrophobicContact CB-CE1 4.26Å; P32-F81 HydrophobicContact CB-CG 4.31Å; P32-F81 HydrophobicContact CG-CD1 4.23Å; P32-F81 HydrophobicContact CG-CD2 4.41Å; P32-F81 HydrophobicContact CG-CE1 3.93Å; P32-F81 HydrophobicContact CG-CE2 4.14Å; P32-F81 HydrophobicContact CG-CG 4.49Å; P32-F81 HydrophobicContact CG-CZ 3.9Å
33	S	93.4	Very high	92.5	Very high	71 Å²	71	44.8 Å²	44.8	50%	0.497	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.2	174.9	-64.1	0	0	0	0	113.2	D31 N35 K58	D31-S33 PolarHBondContact O-N 2.9Å; D31-S33 VanDerWaalsContact OD1-C 3.3Å; D31-S33 VanDerWaalsContact OD1-CA 3.25Å; D31-S33 WeakPolarHBondContact OD1-CA 3.41Å; D31-S33 VanDerWaalsContact OD1-CB 3.28Å; D31-S33 WeakPolarHBondContact OD1-CB 3.39Å; D31-S33 PolarHBondContact OD1-N 2.86Å; S33-N35 WeakPolarHBondContact CB-ND2 3.31Å; S33-K58 PolarHBondContact O-NZ 2.8Å
34	G	95.5	Very high	92.4	Very high	2 Å²	2	46 Å²	46	2%	0.021	26%	0.263	C	S	.	.	S	Bend	trans	84.2	9.4	-178.8	0	0	0	0	0	114.4	D31 K58 Y59 L84	D31-G34 PolarHBondContact O-N 3.01Å; D31-G34 PolarHBondContact OD1-N 3.31Å; G34-K58 CarbonylContact O-C 3.58Å; G34-K58 WeakPolarHBondContact O-CA 3.43Å; G34-Y59 PolarHBondContact O-N 3.47Å; G34-L84 VanDerWaalsContact CA-CD1 3.47Å
35	N	96	Very high	92.2	Very high	58 Å²	58	49.9 Å²	49.9	31%	0.31	28%	0.28	S	S	.	.			trans	-89.7	144.3	179.7	-46.6	-67.5	0	0	0	110.8	I30 D31 S33 V37	I30-N35 WeakPolarHBondContact CA-O 3.29Å; D31-N35 PolarHBondContact N-O 3.01Å; D31-N35 PolarHBondContact OD1-N 3.44Å; D31-N35 PolarHBondContact OD1-ND2 2.83Å; D31-N35 PolarHBondContact OD2-ND2 3.4Å; D31-N35 VanDerWaalsContact OD2-ND2 3.15Å; S33-N35 WeakPolarHBondContact CB-ND2 3.31Å; N35-V37 PolarHBondContact O-N 3.44Å
36	Y	95.1	Very high	92	Very high	68 Å²	68	53.7 Å²	53.7	27%	0.267	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-73.7	122.5	169.2	178.2	-108.2	0	0	0	111	H28 G29 I30 G38 S40 Q43 L44	H28-Y36 WeakPolarHBondContact O-CD2 3.37Å; G29-Y36 CarbonylContact O-C 3.32Å; G29-Y36 WeakPolarHBondContact O-CA 3.26Å; I30-Y36 HydrophobicContact CD1-CD2 4.17Å; Y36-G38 VanDerWaalsContact CE2-CA 3.47Å; Y36-G38 VanDerWaalsContact CZ-CA 3.45Å; Y36-G38 VanDerWaalsContact OH-C 3.24Å; Y36-G38 PolarHBondContact OH-O 3.24Å; Y36-S40 PolarHBondContact OH-N 3.04Å; Y36-S40 PolarHBondContact OH-O 2.99Å; Y36-Q43 HydrophobicContact CE2-CB 3.99Å; Y36-L44 HydrophobicContact CD1-CD1 4.07Å; Y36-L44 HydrophobicContact CD1-CD2 4.49Å; Y36-L44 HydrophobicContact CD1-CG 4.5Å; Y36-L44 HydrophobicContact CD2-CD1 4.38Å; Y36-L44 HydrophobicContact CD2-CD2 3.48Å; Y36-L44 VanDerWaalsContact CD2-CD2 3.48Å; Y36-L44 HydrophobicContact CD2-CG 3.93Å; Y36-L44 HydrophobicContact CE1-CD1 4.01Å; Y36-L44 HydrophobicContact CE1-CG 4.37Å; Y36-L44 HydrophobicContact CE2-CD1 4.32Å; Y36-L44 HydrophobicContact CE2-CD2 3.84Å; Y36-L44 HydrophobicContact CE2-CG 3.79Å; Y36-L44 HydrophobicContact CG-CD1 4.24Å; Y36-L44 HydrophobicContact CG-CD2 3.84Å; Y36-L44 HydrophobicContact CG-CG 4.28Å
37	V	94.5	Very high	92.1	Very high	99 Å²	99	51.7 Å²	51.7	60%	0.6	28%	0.284	S	S	*	.			trans	-126.5	15.8	176.7	-62.1	0	0	0	0	111.7	G29 D31 N35	G29-V37 WeakPolarHBondContact O-CG2 3.4Å; G29-V37 PolarHBondContact O-N 3.01Å; D31-V37 HydrophobicContact CB-CG1 4.16Å; D31-V37 HydrophobicContact CB-CG2 4.01Å; N35-V37 PolarHBondContact O-N 3.44Å
38	G	89.3	Confident	92.2	Very high	23 Å²	23	52.4 Å²	52.4	24%	0.237	29%	0.29	C	S	.	.			trans	-73.6	171.2	179.2	0	0	0	0	0	113.8	G29 Y36	G29-G38 PolarHBondContact O-N 3.16Å; Y36-G38 VanDerWaalsContact CE2-CA 3.47Å; Y36-G38 VanDerWaalsContact CZ-CA 3.45Å; Y36-G38 VanDerWaalsContact OH-C 3.24Å; Y36-G38 PolarHBondContact OH-O 3.24Å
39	D	88.7	Confident	92.3	Very high	155 Å²	155	52.6 Å²	52.6	83%	0.829	29%	0.291	S	S	*	.	S	Bend	trans	-118.5	3.8	-176.3	65.5	-8.2	0	0	0	113.3	Q43	D39-Q43 VanDerWaalsContact N-OE1 3.09Å
40	S	86.8	Confident	92.4	Very high	42 Å²	42	52.2 Å²	52.2	29%	0.294	29%	0.287	S	S	.	.			trans	-141.3	128.5	-177.1	-177.3	0	0	0	0	112.5	Y36 L42 Q43	Y36-S40 PolarHBondContact OH-N 3.04Å; Y36-S40 PolarHBondContact OH-O 2.99Å; S40-L42 PolarHBondContact O-N 2.93Å; S40-L42 PolarHBondContact OG-N 3.41Å; S40-Q43 VanDerWaalsContact O-CB 3.27Å; S40-Q43 WeakPolarHBondContact O-CB 3.42Å; S40-Q43 WeakPolarHBondContact O-CG 3.4Å; S40-Q43 PolarHBondContact O-N 2.93Å
41	D	87.3	Confident	92.5	Very high	136 Å²	136	52.2 Å²	52.2	73%	0.727	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-56.7	-26.5	176.5	-62	-28.3	0	0	0	113	Q43 L44 E45	D41-Q43 PolarHBondContact O-N 3.2Å; D41-Q43 VanDerWaalsContact O-N 3.16Å; D41-L44 PolarHBondContact O-N 3.46Å; D41-E45 PolarHBondContact O-N 3.42Å
42	L	86.1	Confident	92.5	Very high	70 Å²	70	52.1 Å²	52.1	37%	0.366	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-59.3	-25.1	174.7	-65.5	174.9	0	0	0	112.8	S40 L44 E45 P243 I356	S40-L42 PolarHBondContact O-N 2.93Å; S40-L42 PolarHBondContact OG-N 3.41Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-E45 WeakPolarHBondContact CD2-OE1 3.45Å; L42-E45 PolarHBondContact O-N 2.91Å; L42-P243 HydrophobicContact CD2-CG 4.44Å; L42-I356 HydrophobicContact CB-CD1 4.03Å
43	Q	89.2	Confident	92.4	Very high	26 Å²	26	54.2 Å²	54.2	12%	0.121	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-72.6	-24.4	177.7	-62.6	-175.6	-72	0	0	112.5	E27 H28 Y36 D39 S40 D41	E27-Q43 WeakPolarHBondContact O-CG 3.49Å; E27-Q43 PolarHBondContact O-NE2 3.42Å; H28-Q43 PolarHBondContact ND1-O 3.03Å; Y36-Q43 HydrophobicContact CE2-CB 3.99Å; D39-Q43 VanDerWaalsContact N-OE1 3.09Å; S40-Q43 VanDerWaalsContact O-CB 3.27Å; S40-Q43 WeakPolarHBondContact O-CB 3.42Å; S40-Q43 WeakPolarHBondContact O-CG 3.4Å; S40-Q43 PolarHBondContact O-N 2.93Å; D41-Q43 PolarHBondContact O-N 3.2Å; D41-Q43 VanDerWaalsContact O-N 3.16Å
44	L	91.8	Very high	92.2	Very high	51 Å²	51	52.2 Å²	52.2	27%	0.267	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-13.6	176.3	-66.7	178.8	0	0	0	112.4	Y36 D41 L42 R46 I47 Y59	Y36-L44 HydrophobicContact CD1-CD1 4.07Å; Y36-L44 HydrophobicContact CD1-CD2 4.49Å; Y36-L44 HydrophobicContact CD1-CG 4.5Å; Y36-L44 HydrophobicContact CD2-CD1 4.38Å; Y36-L44 HydrophobicContact CD2-CD2 3.48Å; Y36-L44 VanDerWaalsContact CD2-CD2 3.48Å; Y36-L44 HydrophobicContact CD2-CG 3.93Å; Y36-L44 HydrophobicContact CE1-CD1 4.01Å; Y36-L44 HydrophobicContact CE1-CG 4.37Å; Y36-L44 HydrophobicContact CE2-CD1 4.32Å; Y36-L44 HydrophobicContact CE2-CD2 3.84Å; Y36-L44 HydrophobicContact CE2-CG 3.79Å; Y36-L44 HydrophobicContact CG-CD1 4.24Å; Y36-L44 HydrophobicContact CG-CD2 3.84Å; Y36-L44 HydrophobicContact CG-CG 4.28Å; D41-L44 PolarHBondContact O-N 3.46Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 2.91Å; L44-I47 HydrophobicContact CD2-CD1 3.78Å; L44-I47 WeakPolarHBondContact O-CB 3.49Å; L44-I47 VanDerWaalsContact O-CG2 3.22Å; L44-I47 WeakPolarHBondContact O-CG2 3.44Å; L44-I47 PolarHBondContact O-N 3.18Å; L44-Y59 HydrophobicContact CD2-CE2 3.98Å
45	E	89.7	Confident	91.6	Very high	80 Å²	80	58.4 Å²	58.4	37%	0.374	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	131.2	175.8	-73	-159	-151.9	0	0	111.2	D41 L42 I47 P243	D41-E45 PolarHBondContact O-N 3.42Å; L42-E45 WeakPolarHBondContact CD2-OE1 3.45Å; L42-E45 PolarHBondContact O-N 2.91Å; E45-I47 PolarHBondContact O-N 3.01Å; E45-P243 VanDerWaalsContact OE2-CB 3.25Å; E45-P243 WeakPolarHBondContact OE2-CB 3.24Å; E45-P243 WeakPolarHBondContact OE2-CD 3.49Å; E45-P243 WeakPolarHBondContact OE2-CG 3.25Å
46	R	91.7	Very high	91	Very high	81 Å²	81	59 Å²	59	31%	0.306	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	21.3	-178.5	-48.3	-179.2	178.7	-175.1	-2.7	114.6	L44 S48 V49 S239 L240 R241 F242	L44-R46 PolarHBondContact O-N 2.91Å; R46-S48 PolarHBondContact O-N 3.49Å; R46-S48 VanDerWaalsContact O-N 3.09Å; R46-V49 HydrophobicContact CB-CG2 3.96Å; R46-V49 WeakPolarHBondContact O-CB 3.27Å; R46-V49 WeakPolarHBondContact O-CG2 3.3Å; R46-V49 PolarHBondContact O-N 2.89Å; R46-S239 PolarHBondContact NH1-O 3.48Å; R46-L240 VanDerWaalsContact CD-O 3.25Å; R46-L240 WeakPolarHBondContact CD-O 3.28Å; R46-R241 WeakPolarHBondContact CB-O 3.47Å; R46-F242 PolarHBondContact NH1-O 3.41Å; R46-F242 VanDerWaalsContact NH1-O 3.1Å
47	I	93.5	Very high	90.6	Very high	16 Å²	16	62.2 Å²	62.2	8%	0.082	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-56.6	-29.5	176	-165.8	164.1	0	0	0	112.1	H28 I30 L44 E45 V49 Y50 Y51 Y59	H28-I47 HydrophobicContact CB-CD1 4.08Å; H28-I47 HydrophobicContact CB-CG1 4.47Å; I30-I47 HydrophobicContact CD1-CD1 3.82Å; I30-I47 HydrophobicContact CG1-CD1 4.04Å; L44-I47 HydrophobicContact CD2-CD1 3.78Å; L44-I47 WeakPolarHBondContact O-CB 3.49Å; L44-I47 VanDerWaalsContact O-CG2 3.22Å; L44-I47 WeakPolarHBondContact O-CG2 3.44Å; L44-I47 PolarHBondContact O-N 3.18Å; E45-I47 PolarHBondContact O-N 3.01Å; I47-V49 PolarHBondContact O-N 3.37Å; I47-V49 VanDerWaalsContact O-N 3.09Å; I47-Y50 PolarHBondContact O-N 3.45Å; I47-Y51 HydrophobicContact CD1-CD2 4.5Å; I47-Y51 HydrophobicContact CG1-CD2 3.74Å; I47-Y51 HydrophobicContact CG1-CG 4.14Å; I47-Y51 WeakPolarHBondContact O-CB 3.22Å; I47-Y51 PolarHBondContact O-N 3.48Å; I47-Y59 HydrophobicContact CD1-CD1 3.57Å; I47-Y59 HydrophobicContact CD1-CD2 4.22Å; I47-Y59 HydrophobicContact CD1-CE1 3.75Å; I47-Y59 HydrophobicContact CD1-CE2 4.34Å; I47-Y59 HydrophobicContact CD1-CG 3.81Å; I47-Y59 HydrophobicContact CG1-CD1 4.01Å; I47-Y59 HydrophobicContact CG1-CE1 4.27Å; I47-Y59 HydrophobicContact CG2-CD1 4.18Å; I47-Y59 HydrophobicContact CG2-CE1 3.7Å
48	S	94.4	Very high	90.6	Very high	23 Å²	23	61.3 Å²	61.3	16%	0.161	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-58.2	-20.8	176.8	56.5	0	0	0	0	114.5	M1 E3 R46 Y50 Y51 R62	M1-S48 PolarHBondContact SD-OG 3.08Å; E3-S48 VanDerWaalsContact CG-O 3.28Å; E3-S48 WeakPolarHBondContact CG-O 3.35Å; R46-S48 PolarHBondContact O-N 3.49Å; R46-S48 VanDerWaalsContact O-N 3.09Å; S48-Y50 VanDerWaalsContact C-N 3.29Å; S48-Y50 PolarHBondContact O-N 2.96Å; S48-Y51 CarbonylContact C-O 3.51Å; S48-Y51 VanDerWaalsContact CA-O 3.22Å; S48-Y51 WeakPolarHBondContact CA-O 3.43Å; S48-Y51 VanDerWaalsContact O-O 3.12Å; S48-R62 PolarHBondContact O-NE 3.13Å; S48-R62 VanDerWaalsContact O-NE 3.14Å
49	V	95.1	Very high	91	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.03	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-57.3	-44.2	179	174.2	0	0	0	0	110.9	I4 R46 I47 L240	I4-V49 HydrophobicContact CD1-CG1 3.84Å; I4-V49 HydrophobicContact CG1-CG1 4.13Å; I4-V49 PolarHBondContact N-O 3.01Å; R46-V49 HydrophobicContact CB-CG2 3.96Å; R46-V49 WeakPolarHBondContact O-CB 3.27Å; R46-V49 WeakPolarHBondContact O-CG2 3.3Å; R46-V49 PolarHBondContact O-N 2.89Å; I47-V49 PolarHBondContact O-N 3.37Å; I47-V49 VanDerWaalsContact O-N 3.09Å; V49-L240 HydrophobicContact CG1-CB 4.33Å
50	Y	96.6	Very high	91.3	Very high	1 Å²	1	55 Å²	55	0%	0.004	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-16.1	-178.9	-80.6	-77.2	0	0	0	113.9	I4 H6 F20 W21 I24 I47 S48 R62 Q134 T237 R241	I4-Y50 HydrophobicContact CB-CE1 4.18Å; I4-Y50 HydrophobicContact CD1-CE2 4.27Å; I4-Y50 HydrophobicContact CG2-CE1 3.93Å; H6-Y50 HydrophobicContact CB-CE1 4.48Å; F20-Y50 HydrophobicContact CE1-CE1 4.34Å; F20-Y50 HydrophobicContact CZ-CE1 4.39Å; W21-Y50 AromaticContact CH2-CD1 3.84Å; W21-Y50 HydrophobicContact CH2-CD1 3.84Å; W21-Y50 HydrophobicContact CH2-CG 4.24Å; W21-Y50 VanDerWaalsContact CH2-O 3.3Å; W21-Y50 WeakPolarHBondContact CH2-O 3.47Å; W21-Y50 HydrophobicContact CZ2-CD1 4.37Å; I24-Y50 HydrophobicContact CD1-CG 4.22Å; I47-Y50 PolarHBondContact O-N 3.45Å; S48-Y50 VanDerWaalsContact C-N 3.29Å; S48-Y50 PolarHBondContact O-N 2.96Å; Y50-R62 PolarHBondContact O-N 2.82Å; Y50-Q134 VanDerWaalsContact CE1-OE1 3.22Å; Y50-Q134 VanDerWaalsContact CZ-OE1 3.31Å; Y50-Q134 PolarHBondContact OH-OE1 3.31Å; Y50-T237 HydrophobicContact CE2-CG2 4.48Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.47Å; Y50-R241 HydrophobicContact CD2-CG 3.63Å; Y50-R241 HydrophobicContact CE2-CG 3.79Å
51	Y	96.9	Very high	91.9	Very high	2 Å²	2	53 Å²	53	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147	-179.8	-64.2	-95	0	0	0	111	W21 I24 S25 I47 S48 V60 P61 R62 L84	W21-Y51 HydrophobicContact CE3-CE1 4.22Å; W21-Y51 AromaticContact CE3-CZ 3.88Å; W21-Y51 HydrophobicContact CZ3-CD1 4.5Å; W21-Y51 HydrophobicContact CZ3-CD2 4.49Å; W21-Y51 HydrophobicContact CZ3-CE1 4.01Å; W21-Y51 AromaticContact CZ3-CE2 3.99Å; W21-Y51 HydrophobicContact CZ3-CE2 3.99Å; W21-Y51 AromaticContact CZ3-CZ 3.72Å; I24-Y51 HydrophobicContact CD1-CE2 4.22Å; S25-Y51 VanDerWaalsContact CA-OH 3.3Å; S25-Y51 WeakPolarHBondContact CA-OH 3.46Å; S25-Y51 PolarHBondContact N-OH 3.25Å; S25-Y51 PolarHBondContact OG-OH 3.36Å; I47-Y51 HydrophobicContact CD1-CD2 4.5Å; I47-Y51 HydrophobicContact CG1-CD2 3.74Å; I47-Y51 HydrophobicContact CG1-CG 4.14Å; I47-Y51 WeakPolarHBondContact O-CB 3.22Å; I47-Y51 PolarHBondContact O-N 3.48Å; S48-Y51 CarbonylContact C-O 3.51Å; S48-Y51 VanDerWaalsContact CA-O 3.22Å; S48-Y51 WeakPolarHBondContact CA-O 3.43Å; S48-Y51 VanDerWaalsContact O-O 3.12Å; Y51-V60 CarbonylContact C-O 3.46Å; Y51-V60 WeakPolarHBondContact CA-O 3.28Å; Y51-P61 HydrophobicContact CD1-CG 4.27Å; Y51-P61 HydrophobicContact CE1-CG 3.92Å; Y51-R62 PolarHBondContact O-NE 2.83Å; Y51-L84 HydrophobicContact CE1-CD2 4.38Å
52	N	95.1	Very high	92.3	Very high	33 Å²	33	47 Å²	47	18%	0.176	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.8	162	-179.5	73.7	0	0	0	108.9	A54 V60	N52-A54 PolarHBondContact O-N 3.47Å; N52-V60 PolarHBondContact N-O 2.8Å; N52-V60 PolarHBondContact O-N 2.77Å
53	E	93.7	Very high	92.9	Very high	97 Å²	97	43.7 Å²	43.7	45%	0.453	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	115.6	171.1	-169.1	178.9	170.7	0	0	109.2	H57 Y59	E53-H57 IonicContact OE1-CE1 2.9Å; E53-H57 IonicContact OE1-CG 2.67Å; E53-H57 IonicContact OE1-ND1 3.24Å; E53-H57 PolarHBondContact OE1-ND1 3.28Å; E53-Y59 HydrophobicContact CB-CD1 4.32Å; E53-Y59 HydrophobicContact CB-CE1 4.1Å; E53-Y59 HydrophobicContact CG-CE1 4.08Å
54	A	89.9	Confident	93.4	Very high	28 Å²	28	42.5 Å²	42.5	23%	0.231	23%	0.227	C	C	.	.			trans	-78.9	161.1	173.6	0	0	0	0	0	110.9	N52 S56 H57 K58 V60	N52-A54 PolarHBondContact O-N 3.47Å; A54-S56 PolarHBondContact O-N 2.9Å; A54-H57 PolarHBondContact O-N 3.17Å; A54-K58 HydrophobicContact CB-CB 4.47Å; A54-K58 WeakPolarHBondContact CB-O 3.47Å; A54-K58 PolarHBondContact N-O 3.37Å; A54-V60 HydrophobicContact CB-CG2 4.31Å
55	S	81.5	Confident	93.7	Very high	132 Å²	132	40 Å²	40	92%	0.923	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-14.3	-180	56.5	0	0	0	0	115.6	H57	S55-H57 VanDerWaalsContact C-N 3.34Å
56	S	84.9	Confident	94.1	Very high	70 Å²	70	36.2 Å²	36.2	49%	0.49	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	12.7	175.2	52.2	0	0	0	0	113.8	A54 K58	A54-S56 PolarHBondContact O-N 2.9Å; S56-K58 PolarHBondContact O-N 2.83Å; S56-K58 WeakPolarHBondContact OG-CG 3.47Å
57	H	86.3	Confident	94.3	Very high	136 Å²	136	32.5 Å²	32.5	63%	0.63	18%	0.182	S	C	*	.	S	Bend	trans	57.3	29.1	-169.7	-60.2	-66.6	0	0	0	113.3	E53 A54 S55	E53-H57 IonicContact OE1-CE1 2.9Å; E53-H57 IonicContact OE1-CG 2.67Å; E53-H57 IonicContact OE1-ND1 3.24Å; E53-H57 PolarHBondContact OE1-ND1 3.28Å; A54-H57 PolarHBondContact O-N 3.17Å; S55-H57 VanDerWaalsContact C-N 3.34Å
58	K	94.3	Very high	94.4	Very high	81 Å²	81	31.8 Å²	31.8	35%	0.352	18%	0.178	S	C	.	.			trans	-96.8	133.5	174.2	-70.4	-171.9	172.6	-156.9	0	110.1	S33 G34 A54 S56	S33-K58 PolarHBondContact O-NZ 2.8Å; G34-K58 CarbonylContact O-C 3.58Å; G34-K58 WeakPolarHBondContact O-CA 3.43Å; A54-K58 HydrophobicContact CB-CB 4.47Å; A54-K58 WeakPolarHBondContact CB-O 3.47Å; A54-K58 PolarHBondContact N-O 3.37Å; S56-K58 PolarHBondContact O-N 2.83Å; S56-K58 WeakPolarHBondContact OG-CG 3.47Å
59	Y	96.7	Very high	94.3	Very high	23 Å²	23	35.3 Å²	35.3	9%	0.09	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.1	174.7	-63.4	-79.9	0	0	0	109.7	I30 G34 L44 I47 E53 L84	I30-Y59 HydrophobicContact CD1-CD2 3.38Å; I30-Y59 HydrophobicContact CD1-CE2 4.03Å; I30-Y59 HydrophobicContact CD1-CG 3.86Å; I30-Y59 HydrophobicContact CG1-CD2 4.48Å; G34-Y59 PolarHBondContact O-N 3.47Å; L44-Y59 HydrophobicContact CD2-CE2 3.98Å; I47-Y59 HydrophobicContact CD1-CD1 3.57Å; I47-Y59 HydrophobicContact CD1-CD2 4.22Å; I47-Y59 HydrophobicContact CD1-CE1 3.75Å; I47-Y59 HydrophobicContact CD1-CE2 4.34Å; I47-Y59 HydrophobicContact CD1-CG 3.81Å; I47-Y59 HydrophobicContact CG1-CD1 4.01Å; I47-Y59 HydrophobicContact CG1-CE1 4.27Å; I47-Y59 HydrophobicContact CG2-CD1 4.18Å; I47-Y59 HydrophobicContact CG2-CE1 3.7Å; E53-Y59 HydrophobicContact CB-CD1 4.32Å; E53-Y59 HydrophobicContact CB-CE1 4.1Å; E53-Y59 HydrophobicContact CG-CE1 4.08Å; Y59-L84 WeakPolarHBondContact O-CD1 3.46Å
60	V	96.9	Very high	94.2	Very high	22 Å²	22	37 Å²	37	13%	0.133	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.6	-175.7	-178.8	0	0	0	0	108.9	Y51 N52 A54 R86	Y51-V60 CarbonylContact C-O 3.46Å; Y51-V60 WeakPolarHBondContact CA-O 3.28Å; N52-V60 PolarHBondContact N-O 2.8Å; N52-V60 PolarHBondContact O-N 2.77Å; A54-V60 HydrophobicContact CB-CG2 4.31Å; V60-R86 HydrophobicContact CG1-CG 3.67Å
61	P	97.6	Very high	94	Very high	1 Å²	1	39 Å²	39	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	135.5	177	-32.1	38.8	0	0	0	113.5	W21 Y51 A63 L84 F85	W21-P61 HydrophobicContact CD2-CB 3.97Å; W21-P61 HydrophobicContact CD2-CG 4.15Å; W21-P61 HydrophobicContact CE3-CB 3.73Å; W21-P61 HydrophobicContact CE3-CG 3.74Å; W21-P61 HydrophobicContact CH2-CB 3.56Å; W21-P61 HydrophobicContact CH2-CG 4.43Å; W21-P61 HydrophobicContact CZ2-CB 3.78Å; W21-P61 HydrophobicContact CZ3-CB 3.52Å; W21-P61 HydrophobicContact CZ3-CG 3.89Å; Y51-P61 HydrophobicContact CD1-CG 4.27Å; Y51-P61 HydrophobicContact CE1-CG 3.92Å; P61-A63 HydrophobicContact CB-CB 3.84Å; P61-A63 PolarHBondContact O-N 2.63Å; P61-L84 VanDerWaalsContact CD-O 3.28Å; P61-L84 WeakPolarHBondContact CD-O 3.4Å; P61-L84 HydrophobicContact CG-CD2 3.65Å; P61-L84 HydrophobicContact CG-CG 3.63Å; P61-F85 HydrophobicContact CB-CD1 3.92Å; P61-F85 HydrophobicContact CB-CE1 3.98Å; P61-F85 HydrophobicContact CG-CD1 4.01Å; P61-F85 HydrophobicContact CG-CE1 4.01Å
62	R	97.6	Very high	93.7	Very high	9 Å²	9	39.5 Å²	39.5	3%	0.034	23%	0.227	C	C	.	.			trans	-77.8	60.1	163.3	-62.1	180	-172.7	-77.5	-1.4	109.3	H6 S48 Y50 Y51 N126 C127	H6-R62 PolarHBondContact N-O 2.8Å; S48-R62 PolarHBondContact O-NE 3.13Å; S48-R62 VanDerWaalsContact O-NE 3.14Å; Y50-R62 PolarHBondContact O-N 2.82Å; Y51-R62 PolarHBondContact O-NE 2.83Å; R62-N126 PolarHBondContact NH1-O 2.85Å; R62-N126 PolarHBondContact NH2-O 3.06Å; R62-C127 PolarHBondContact NH1-SG 3.06Å
63	A	98	Very high	93.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.2	-173.4	0	0	0	0	0	111.1	H6 W21 P61 L65 F85 N89	H6-A63 CarbonylContact O-C 3.41Å; H6-A63 VanDerWaalsContact O-CA 3.25Å; H6-A63 WeakPolarHBondContact O-CA 3.26Å; W21-A63 HydrophobicContact CZ2-CB 3.59Å; P61-A63 HydrophobicContact CB-CB 3.84Å; P61-A63 PolarHBondContact O-N 2.63Å; A63-L65 HydrophobicContact CB-CD1 4.21Å; A63-F85 HydrophobicContact CB-CD1 3.8Å; A63-F85 HydrophobicContact CB-CE1 3.81Å; A63-N89 WeakPolarHBondContact O-CB 3.49Å; A63-N89 PolarHBondContact O-ND2 3.3Å
64	I	98.5	Very high	93.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.9	173.7	-54.3	172.6	0	0	0	107.4	V5 H6 I7 Q8 V66 I91 V116 V119 V120 E123	V5-I64 HydrophobicContact CG1-CD1 3.81Å; V5-I64 HydrophobicContact CG1-CG1 4.35Å; H6-I64 PolarHBondContact O-N 2.7Å; I7-I64 WeakPolarHBondContact CA-O 3.43Å; Q8-I64 PolarHBondContact N-O 2.86Å; I64-V66 HydrophobicContact CG2-CG2 3.93Å; I64-I91 HydrophobicContact CG2-CD1 4.03Å; I64-V116 HydrophobicContact CG2-CG1 4.26Å; I64-V119 HydrophobicContact CD1-CG1 4.05Å; I64-V119 HydrophobicContact CG1-CG1 4Å; I64-V119 HydrophobicContact CG2-CG1 4.23Å; I64-V120 VanDerWaalsContact CD1-CA 3.5Å; I64-V120 HydrophobicContact CD1-CB 4.09Å; I64-V120 HydrophobicContact CD1-CG2 3.51Å; I64-E123 HydrophobicContact CD1-CB 4.43Å; I64-E123 HydrophobicContact CD1-CG 4.16Å; I64-E123 HydrophobicContact CG1-CG 4.19Å
65	L	98.4	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.3	-174.1	-64.2	92.1	0	0	0	108.4	N14 A63 M73 V76 F85 N89 F90 I91	N14-L65 WeakPolarHBondContact OD1-CB 3.3Å; A63-L65 HydrophobicContact CB-CD1 4.21Å; L65-M73 HydrophobicContact CB-CE 4.39Å; L65-M73 HydrophobicContact CB-SD 4.08Å; L65-V76 HydrophobicContact CD2-CB 4.48Å; L65-V76 HydrophobicContact CD2-CG1 3.75Å; L65-F85 HydrophobicContact CD1-CB 4.26Å; L65-F85 HydrophobicContact CD1-CD1 3.81Å; L65-F85 HydrophobicContact CD1-CE1 4.35Å; L65-F85 HydrophobicContact CD1-CG 4.01Å; L65-N89 PolarHBondContact N-O 2.89Å; L65-F90 HydrophobicContact CB-CD1 4.13Å; L65-F90 HydrophobicContact CB-CE1 4.46Å; L65-F90 HydrophobicContact CD1-CE1 4.47Å; L65-F90 HydrophobicContact CD1-CZ 4.47Å; L65-F90 HydrophobicContact CD2-CD1 4.32Å; L65-F90 HydrophobicContact CD2-CE1 3.81Å; L65-F90 HydrophobicContact CD2-CZ 4.31Å; L65-F90 HydrophobicContact CG-CE1 4.49Å; L65-I91 PolarHBondContact O-N 3.43Å
66	V	97.9	Very high	94.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.6	-172.2	-171.8	0	0	0	0	109.7	Q8 G10 N14 I64 I91 L112 V116 M147 L151	Q8-V66 PolarHBondContact O-N 3.44Å; G10-V66 PolarHBondContact N-O 3.3Å; N14-V66 PolarHBondContact ND2-O 2.95Å; I64-V66 HydrophobicContact CG2-CG2 3.93Å; V66-I91 WeakPolarHBondContact CA-O 3.27Å; V66-L112 HydrophobicContact CG1-CD2 4.36Å; V66-V116 HydrophobicContact CG1-CG2 3.79Å; V66-V116 HydrophobicContact CG2-CB 4.49Å; V66-V116 HydrophobicContact CG2-CG1 3.7Å; V66-V116 HydrophobicContact CG2-CG2 3.88Å; V66-M147 HydrophobicContact CG1-CE 3.6Å; V66-M147 HydrophobicContact CG1-SD 3.83Å; V66-L151 HydrophobicContact CG1-CD1 4.39Å; V66-L151 HydrophobicContact CG2-CD1 4.46Å
67	D	97.1	Very high	94.8	Very high	2 Å²	2	35 Å²	35	1%	0.011	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	155.6	166.7	-152.5	-20.1	0	0	0	111	Q11 T72 M73 I91 F92 G93 T143	Q11-D67 PolarHBondContact N-OD2 3.06Å; Q11-D67 VanDerWaalsContact N-OD2 3.12Å; D67-T72 WeakPolarHBondContact OD2-CB 3.2Å; D67-T72 PolarHBondContact OD2-OG1 2.85Å; D67-M73 HydrophobicContact CB-CE 3.75Å; D67-I91 PolarHBondContact N-O 3.4Å; D67-F92 CarbonylContact O-C 3.59Å; D67-F92 WeakPolarHBondContact O-CA 3.22Å; D67-F92 VanDerWaalsContact O-CB 3.31Å; D67-F92 WeakPolarHBondContact O-CB 3.17Å; D67-G93 PolarHBondContact O-N 3.41Å; D67-T143 PolarHBondContact OD1-OG1 2.68Å
68	L	96	Very high	95.2	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.191	C	C	.	.	S	Bend	trans	-83.4	-8.1	176.4	-68.8	172.4	0	0	0	112.2	G93 S95 A97 E108 L112 T143 M147	L68-G93 CarbonylContact O-C 3.48Å; L68-G93 WeakPolarHBondContact O-CA 3.25Å; L68-S95 CarbonylContact O-C 3.12Å; L68-S95 PolarHBondContact O-N 3.13Å; L68-S95 VanDerWaalsContact O-O 3.14Å; L68-A97 HydrophobicContact CD1-CB 3.71Å; L68-E108 HydrophobicContact CD1-CB 3.88Å; L68-E108 HydrophobicContact CD2-CB 3.94Å; L68-E108 HydrophobicContact CG-CB 4.44Å; L68-L112 HydrophobicContact CD2-CB 4.38Å; L68-L112 HydrophobicContact CD2-CD2 3.9Å; L68-T143 HydrophobicContact CB-CG2 4.31Å; L68-T143 HydrophobicContact CD1-CG2 4.04Å; L68-T143 HydrophobicContact CG-CG2 3.79Å; L68-M147 HydrophobicContact CD2-SD 3.7Å; L68-M147 HydrophobicContact CG-SD 4.02Å
69	E	92.4	Very high	95.1	Very high	98 Å²	98	30.9 Å²	30.9	46%	0.458	19%	0.189	S	C	.	.	S	Bend	trans	-126	145.2	178.4	-62.3	-177.2	118.2	0	0	111.9	G71	E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 3.17Å
70	P	92.8	Very high	94.9	Very high	41 Å²	41	33.4 Å²	33.4	27%	0.266	21%	0.214	S	C	.	.	H	α-helix	trans	-71.2	-25.1	-178.6	27.1	-34.6	0	0	0	113.7	T72 M73 D74 F92	P70-T72 VanDerWaalsContact C-N 3.34Å; P70-T72 PolarHBondContact O-N 3.48Å; P70-M73 WeakPolarHBondContact O-CB 3.17Å; P70-M73 PolarHBondContact O-N 3.05Å; P70-D74 PolarHBondContact O-N 3.35Å; P70-F92 HydrophobicContact CB-CD2 3.89Å; P70-F92 HydrophobicContact CB-CE2 4.01Å
71	G	92	Very high	94.8	Very high	42 Å²	42	33.6 Å²	33.6	43%	0.433	21%	0.213	S	C	.	.	H	α-helix	trans	-60.3	-37.9	-169.4	0	0	0	0	0	114.4	E69 S75	E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 3.17Å; G71-S75 PolarHBondContact O-N 3.06Å; G71-S75 VanDerWaalsContact O-N 3.15Å; G71-S75 PolarHBondContact O-OG 3.18Å
72	T	90.9	Very high	94.5	Very high	12 Å²	12	33.7 Å²	33.7	7%	0.074	22%	0.215	C	C	.	.	H	α-helix	trans	-65.9	-42.3	174.6	-55.4	0	0	0	0	111.1	N14 D67 P70 S75 V76	N14-T72 HydrophobicContact CB-CG2 3.51Å; D67-T72 WeakPolarHBondContact OD2-CB 3.2Å; D67-T72 PolarHBondContact OD2-OG1 2.85Å; P70-T72 VanDerWaalsContact C-N 3.34Å; P70-T72 PolarHBondContact O-N 3.48Å; T72-S75 WeakPolarHBondContact O-CB 3.37Å; T72-S75 PolarHBondContact O-N 2.84Å; T72-V76 WeakPolarHBondContact O-CG2 3.46Å; T72-V76 PolarHBondContact O-N 2.99Å
73	M	93.3	Very high	94.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-43.1	-178.9	-58.8	-63.5	95.2	0	0	111.5	N14 L65 D67 P70 S75 V76 R77 F90 F92	N14-M73 HydrophobicContact CB-CE 4.18Å; N14-M73 VanDerWaalsContact CG-CE 3.43Å; N14-M73 WeakPolarHBondContact ND2-CE 3.32Å; N14-M73 WeakPolarHBondContact OD1-CE 3.48Å; L65-M73 HydrophobicContact CB-CE 4.39Å; L65-M73 HydrophobicContact CB-SD 4.08Å; D67-M73 HydrophobicContact CB-CE 3.75Å; P70-M73 WeakPolarHBondContact O-CB 3.17Å; P70-M73 PolarHBondContact O-N 3.05Å; M73-S75 VanDerWaalsContact C-N 3.28Å; M73-S75 PolarHBondContact O-N 3.07Å; M73-V76 PolarHBondContact O-N 3.39Å; M73-R77 WeakPolarHBondContact O-CB 3.49Å; M73-R77 WeakPolarHBondContact O-CG 3.38Å; M73-R77 PolarHBondContact O-N 3.39Å; M73-F90 HydrophobicContact CB-CD1 4.31Å; M73-F90 HydrophobicContact SD-CB 4.48Å; M73-F90 HydrophobicContact SD-CD1 3.79Å; M73-F92 HydrophobicContact CB-CD1 4.21Å; M73-F92 HydrophobicContact CG-CB 3.79Å; M73-F92 HydrophobicContact CG-CD1 3.69Å; M73-F92 HydrophobicContact CG-CG 3.88Å
74	D	93.2	Very high	94.2	Very high	88 Å²	88	41.4 Å²	41.4	47%	0.471	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-37.1	175.9	-69.7	-25.6	0	0	0	111.7	P70 R77 S78	P70-D74 PolarHBondContact O-N 3.35Å; D74-R77 PolarHBondContact O-N 2.69Å; D74-S78 WeakPolarHBondContact O-CB 3.39Å; D74-S78 PolarHBondContact O-N 3.49Å; D74-S78 PolarHBondContact O-OG 2.67Å
75	S	93.2	Very high	94	Very high	80 Å²	80	41.9 Å²	41.9	56%	0.559	25%	0.253	S	S	*	.	H	α-helix	trans	-64.5	-42.7	175.3	-58.6	0	0	0	0	111.9	G71 T72 M73 S78 G79	G71-S75 PolarHBondContact O-N 3.06Å; G71-S75 VanDerWaalsContact O-N 3.15Å; G71-S75 PolarHBondContact O-OG 3.18Å; T72-S75 WeakPolarHBondContact O-CB 3.37Å; T72-S75 PolarHBondContact O-N 2.84Å; M73-S75 VanDerWaalsContact C-N 3.28Å; M73-S75 PolarHBondContact O-N 3.07Å; S75-S78 PolarHBondContact O-OG 3.12Å; S75-S78 VanDerWaalsContact O-OG 3.08Å; S75-G79 PolarHBondContact O-N 3.32Å
76	V	94.3	Very high	93.9	Very high	12 Å²	12	45.7 Å²	45.7	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-68	-44.5	176.3	175.9	0	0	0	0	111.1	N14 A18 L65 T72 M73 S78 G79 G82 F85 F90	N14-V76 HydrophobicContact CB-CG2 4.29Å; A18-V76 HydrophobicContact CB-CG1 4.37Å; A18-V76 HydrophobicContact CB-CG2 4.33Å; L65-V76 HydrophobicContact CD2-CB 4.48Å; L65-V76 HydrophobicContact CD2-CG1 3.75Å; T72-V76 WeakPolarHBondContact O-CG2 3.46Å; T72-V76 PolarHBondContact O-N 2.99Å; M73-V76 PolarHBondContact O-N 3.39Å; V76-S78 VanDerWaalsContact C-N 3.31Å; V76-S78 PolarHBondContact O-N 2.87Å; V76-G79 PolarHBondContact O-N 3.43Å; V76-G82 WeakPolarHBondContact O-CA 3.39Å; V76-F85 HydrophobicContact CG1-CD2 4.34Å; V76-F85 HydrophobicContact CG1-CE2 4.11Å; V76-F90 HydrophobicContact CB-CE1 4.38Å; V76-F90 HydrophobicContact CG1-CE1 4.1Å; V76-F90 HydrophobicContact CG1-CZ 4.46Å
77	R	93.9	Very high	93.7	Very high	85 Å²	85	50.1 Å²	50.1	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-35.2	179.3	-76.2	176.5	176.3	175.5	-3.4	113.2	M73 D74 G79 F90	M73-R77 WeakPolarHBondContact O-CB 3.49Å; M73-R77 WeakPolarHBondContact O-CG 3.38Å; M73-R77 PolarHBondContact O-N 3.39Å; D74-R77 PolarHBondContact O-N 2.69Å; R77-G79 VanDerWaalsContact C-N 3.29Å; R77-F90 HydrophobicContact CG-CD1 4.19Å; R77-F90 HydrophobicContact CG-CE1 3.65Å; R77-F90 HydrophobicContact CG-CE2 4.35Å; R77-F90 HydrophobicContact CG-CZ 3.74Å; R77-F90 VanDerWaalsContact NH2-CB 3.33Å
78	S	93.4	Very high	93.7	Very high	101 Å²	101	56.3 Å²	56.3	71%	0.706	33%	0.329	S	S	*	.	H	α-helix	trans	-79.9	-11.6	176	59	0	0	0	0	113.6	D74 S75 V76	D74-S78 WeakPolarHBondContact O-CB 3.39Å; D74-S78 PolarHBondContact O-N 3.49Å; D74-S78 PolarHBondContact O-OG 2.67Å; S75-S78 PolarHBondContact O-OG 3.12Å; S75-S78 VanDerWaalsContact O-OG 3.08Å; V76-S78 VanDerWaalsContact C-N 3.31Å; V76-S78 PolarHBondContact O-N 2.87Å
79	G	92.5	Very high	93.7	Very high	31 Å²	31	56.6 Å²	56.6	32%	0.32	33%	0.331	S	S	.	.	S	Bend	trans	-67.4	161.2	173.1	0	0	0	0	0	112.6	S75 V76 R77 F81 G82	S75-G79 PolarHBondContact O-N 3.32Å; V76-G79 PolarHBondContact O-N 3.43Å; R77-G79 VanDerWaalsContact C-N 3.29Å; G79-F81 PolarHBondContact O-N 3.12Å; G79-F81 VanDerWaalsContact O-N 3.15Å; G79-G82 PolarHBondContact O-N 2.83Å
80	A	92.6	Very high	94	Very high	75 Å²	75	52.6 Å²	52.6	62%	0.62	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.3	-175.5	0	0	0	0	0	113.2	P32	P32-A80 VanDerWaalsContact CB-O 3.28Å; P32-A80 WeakPolarHBondContact CB-O 3.31Å
81	F	94.2	Very high	94.2	Very high	26 Å²	26	51.4 Å²	51.4	11%	0.114	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	9.7	179.4	-71.5	-99.4	0	0	0	113.5	E22 P32 G79 H83 L84	E22-F81 HydrophobicContact CB-CD2 4.17Å; E22-F81 HydrophobicContact CB-CE2 4.02Å; E22-F81 HydrophobicContact CG-CD2 3.54Å; E22-F81 HydrophobicContact CG-CE2 3.86Å; E22-F81 HydrophobicContact CG-CG 4.14Å; P32-F81 HydrophobicContact CB-CD1 4.1Å; P32-F81 HydrophobicContact CB-CE1 4.26Å; P32-F81 HydrophobicContact CB-CG 4.31Å; P32-F81 HydrophobicContact CG-CD1 4.23Å; P32-F81 HydrophobicContact CG-CD2 4.41Å; P32-F81 HydrophobicContact CG-CE1 3.93Å; P32-F81 HydrophobicContact CG-CE2 4.14Å; P32-F81 HydrophobicContact CG-CG 4.49Å; P32-F81 HydrophobicContact CG-CZ 3.9Å; G79-F81 PolarHBondContact O-N 3.12Å; G79-F81 VanDerWaalsContact O-N 3.15Å; F81-H83 PolarHBondContact O-N 3.32Å; F81-L84 HydrophobicContact CD1-CD2 3.97Å; F81-L84 WeakPolarHBondContact O-CB 3.46Å; F81-L84 PolarHBondContact O-N 3.18Å
82	G	92.6	Very high	94.4	Very high	4 Å²	4	52.4 Å²	52.4	4%	0.041	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-59.6	-32.1	-176.2	0	0	0	0	0	114.1	V76 G79 L84	V76-G82 WeakPolarHBondContact O-CA 3.39Å; G79-G82 PolarHBondContact O-N 2.83Å; G82-L84 VanDerWaalsContact C-N 3.3Å; G82-L84 PolarHBondContact O-N 2.6Å
83	H	92.7	Very high	94.5	Very high	164 Å²	164	52.5 Å²	52.5	76%	0.759	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-81.1	-5.7	178	-61.8	-52.9	0	0	0	114.5	F81 F85	F81-H83 PolarHBondContact O-N 3.32Å; H83-F85 VanDerWaalsContact C-N 3.34Å
84	L	95.2	Very high	94.4	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-72.2	-33.3	177.1	-175.4	65.1	0	0	0	111	S25 I30 G34 Y51 Y59 P61 F81 G82	S25-L84 WeakPolarHBondContact OG-CD2 3.37Å; I30-L84 HydrophobicContact CG2-CD1 4.24Å; G34-L84 VanDerWaalsContact CA-CD1 3.47Å; Y51-L84 HydrophobicContact CE1-CD2 4.38Å; Y59-L84 WeakPolarHBondContact O-CD1 3.46Å; P61-L84 VanDerWaalsContact CD-O 3.28Å; P61-L84 WeakPolarHBondContact CD-O 3.4Å; P61-L84 HydrophobicContact CG-CD2 3.65Å; P61-L84 HydrophobicContact CG-CG 3.63Å; F81-L84 HydrophobicContact CD1-CD2 3.97Å; F81-L84 WeakPolarHBondContact O-CB 3.46Å; F81-L84 PolarHBondContact O-N 3.18Å; G82-L84 VanDerWaalsContact C-N 3.3Å; G82-L84 PolarHBondContact O-N 2.6Å
85	F	96.2	Very high	94	Very high	11 Å²	11	58.2 Å²	58.2	5%	0.048	33%	0.329	C	S	.	.	S	Bend	trans	-77.8	148.2	-178.1	-58.3	-72.4	0	0	0	112.7	W21 P61 A63 L65 V76 H83 F90	W21-F85 HydrophobicContact CB-CE1 4.25Å; W21-F85 HydrophobicContact CB-CZ 3.8Å; W21-F85 AromaticContact CD1-CE1 3.35Å; W21-F85 AromaticContact CD1-CZ 3.42Å; W21-F85 VanDerWaalsContact CD1-CZ 3.42Å; W21-F85 HydrophobicContact CD2-CE1 4.07Å; W21-F85 HydrophobicContact CD2-CZ 4.5Å; W21-F85 AromaticContact CG-CE1 3.65Å; W21-F85 HydrophobicContact CG-CE1 3.65Å; W21-F85 AromaticContact CG-CZ 3.65Å; W21-F85 HydrophobicContact CG-CZ 3.65Å; W21-F85 AromaticContact NE1-CE1 3.61Å; P61-F85 HydrophobicContact CB-CD1 3.92Å; P61-F85 HydrophobicContact CB-CE1 3.98Å; P61-F85 HydrophobicContact CG-CD1 4.01Å; P61-F85 HydrophobicContact CG-CE1 4.01Å; A63-F85 HydrophobicContact CB-CD1 3.8Å; A63-F85 HydrophobicContact CB-CE1 3.81Å; L65-F85 HydrophobicContact CD1-CB 4.26Å; L65-F85 HydrophobicContact CD1-CD1 3.81Å; L65-F85 HydrophobicContact CD1-CE1 4.35Å; L65-F85 HydrophobicContact CD1-CG 4.01Å; V76-F85 HydrophobicContact CG1-CD2 4.34Å; V76-F85 HydrophobicContact CG1-CE2 4.11Å; H83-F85 VanDerWaalsContact C-N 3.34Å; F85-F90 HydrophobicContact CB-CE2 3.53Å; F85-F90 HydrophobicContact CB-CZ 3.72Å; F85-F90 HydrophobicContact CD2-CZ 4.11Å; F85-F90 HydrophobicContact CG-CE2 4.46Å; F85-F90 HydrophobicContact CG-CZ 4.2Å
86	R	95.1	Very high	93.8	Very high	79 Å²	79	55 Å²	55	30%	0.298	31%	0.308	S	S	.	.			trans	-64	130	171.1	-80.7	-176.6	178.6	-174.3	0.4	110.2	V60 D88 N89 F90 E123	V60-R86 HydrophobicContact CG1-CG 3.67Å; R86-D88 PolarHBondContact O-N 3.07Å; R86-N89 HydrophobicContact CB-CB 4.1Å; R86-N89 WeakPolarHBondContact CB-OD1 3.37Å; R86-N89 PolarHBondContact O-N 2.74Å; R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.02Å; R86-E123 IonicContact NH1-OE1 3.54Å
87	P	94.7	Very high	93.6	Very high	93 Å²	93	54.5 Å²	54.5	60%	0.604	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-55.3	-37.9	176.4	-28.5	36.1	0	0	0	113.6	N89 F90	P87-N89 PolarHBondContact O-N 2.84Å; P87-F90 PolarHBondContact O-N 2.93Å
88	D	95.6	Very high	93.4	Very high	133 Å²	133	53.6 Å²	53.6	71%	0.711	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-71.1	-14.4	-179.6	-62.4	-17.4	0	0	0	113.2	R86 F90	R86-D88 PolarHBondContact O-N 3.07Å; D88-F90 VanDerWaalsContact C-N 3.33Å
89	N	97.3	Very high	93.3	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.032	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-90.9	0.6	179.1	-64.8	29.7	0	0	0	112.5	A63 L65 R86 P87 V119 E123	A63-N89 WeakPolarHBondContact O-CB 3.49Å; A63-N89 PolarHBondContact O-ND2 3.3Å; L65-N89 PolarHBondContact N-O 2.89Å; R86-N89 HydrophobicContact CB-CB 4.1Å; R86-N89 WeakPolarHBondContact CB-OD1 3.37Å; R86-N89 PolarHBondContact O-N 2.74Å; P87-N89 PolarHBondContact O-N 2.84Å; N89-V119 HydrophobicContact CB-CG1 4.32Å; N89-E123 PolarHBondContact ND2-OE1 3.5Å
90	F	97.4	Very high	93.5	Very high	15 Å²	15	51.2 Å²	51.2	7%	0.066	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	113.1	167.6	-68.6	-97.9	0	0	0	109	L65 M73 V76 R77 F85 R86 P87 D88	L65-F90 HydrophobicContact CB-CD1 4.13Å; L65-F90 HydrophobicContact CB-CE1 4.46Å; L65-F90 HydrophobicContact CD1-CE1 4.47Å; L65-F90 HydrophobicContact CD1-CZ 4.47Å; L65-F90 HydrophobicContact CD2-CD1 4.32Å; L65-F90 HydrophobicContact CD2-CE1 3.81Å; L65-F90 HydrophobicContact CD2-CZ 4.31Å; L65-F90 HydrophobicContact CG-CE1 4.49Å; M73-F90 HydrophobicContact CB-CD1 4.31Å; M73-F90 HydrophobicContact SD-CB 4.48Å; M73-F90 HydrophobicContact SD-CD1 3.79Å; V76-F90 HydrophobicContact CB-CE1 4.38Å; V76-F90 HydrophobicContact CG1-CE1 4.1Å; V76-F90 HydrophobicContact CG1-CZ 4.46Å; R77-F90 HydrophobicContact CG-CD1 4.19Å; R77-F90 HydrophobicContact CG-CE1 3.65Å; R77-F90 HydrophobicContact CG-CE2 4.35Å; R77-F90 HydrophobicContact CG-CZ 3.74Å; R77-F90 VanDerWaalsContact NH2-CB 3.33Å; F85-F90 HydrophobicContact CB-CE2 3.53Å; F85-F90 HydrophobicContact CB-CZ 3.72Å; F85-F90 HydrophobicContact CD2-CZ 4.11Å; F85-F90 HydrophobicContact CG-CE2 4.46Å; F85-F90 HydrophobicContact CG-CZ 4.2Å; R86-F90 VanDerWaalsContact O-CD2 3.31Å; R86-F90 WeakPolarHBondContact O-CD2 3.02Å; P87-F90 PolarHBondContact O-N 2.93Å; D88-F90 VanDerWaalsContact C-N 3.33Å
91	I	97.5	Very high	93.8	Very high	16 Å²	16	47.8 Å²	47.8	8%	0.082	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.2	-175.7	-52.7	171.5	0	0	0	107.1	I64 L65 V66 D67 L112 V116 V119	I64-I91 HydrophobicContact CG2-CD1 4.03Å; L65-I91 PolarHBondContact O-N 3.43Å; V66-I91 WeakPolarHBondContact CA-O 3.27Å; D67-I91 PolarHBondContact N-O 3.4Å; I91-L112 HydrophobicContact CG2-CD1 3.77Å; I91-L112 HydrophobicContact CG2-CD2 4.31Å; I91-L112 HydrophobicContact CG2-CG 4Å; I91-V116 HydrophobicContact CB-CG2 4.24Å; I91-V116 HydrophobicContact CD1-CB 4.19Å; I91-V116 HydrophobicContact CD1-CG1 4.38Å; I91-V116 HydrophobicContact CD1-CG2 4.03Å; I91-V116 HydrophobicContact CG2-CG2 3.78Å; I91-V119 HydrophobicContact CD1-CB 3.7Å; I91-V119 HydrophobicContact CD1-CG1 4.27Å; I91-V119 HydrophobicContact CD1-CG2 3.48Å; I91-V119 VanDerWaalsContact CD1-CG2 3.48Å; I91-V119 HydrophobicContact CG1-CG2 4.28Å
92	F	96.3	Very high	94	Very high	63 Å²	63	46.5 Å²	46.5	28%	0.276	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	147.2	-176.5	57.4	-85.8	0	0	0	115.1	D67 P70 M73	D67-F92 CarbonylContact O-C 3.59Å; D67-F92 WeakPolarHBondContact O-CA 3.22Å; D67-F92 VanDerWaalsContact O-CB 3.31Å; D67-F92 WeakPolarHBondContact O-CB 3.17Å; P70-F92 HydrophobicContact CB-CD2 3.89Å; P70-F92 HydrophobicContact CB-CE2 4.01Å; M73-F92 HydrophobicContact CB-CD1 4.21Å; M73-F92 HydrophobicContact CG-CB 3.79Å; M73-F92 HydrophobicContact CG-CD1 3.69Å; M73-F92 HydrophobicContact CG-CG 3.88Å
93	G	93.3	Very high	94.2	Very high	13 Å²	13	48.3 Å²	48.3	13%	0.134	27%	0.267	C	S	.	.			trans	-80.6	-177.9	173.4	0	0	0	0	0	113.1	D67 L68	D67-G93 PolarHBondContact O-N 3.41Å; L68-G93 CarbonylContact O-C 3.48Å; L68-G93 WeakPolarHBondContact O-CA 3.25Å
94	Q	90.2	Very high	94.4	Very high	152 Å²	152	40.5 Å²	40.5	71%	0.71	23%	0.23	S	C	*	.	S	Bend	trans	-106	-15.6	173.2	-62.7	-60.5	-49.9	0	0	112.8
95	S	86.9	Confident	94.6	Very high	57 Å²	57	41.2 Å²	41.2	40%	0.399	23%	0.234	S	C	.	.	S	Bend	trans	-131.5	123	-171.6	-65.8	0	0	0	0	109.7	L68 E108	L68-S95 CarbonylContact O-C 3.12Å; L68-S95 PolarHBondContact O-N 3.13Å; L68-S95 VanDerWaalsContact O-O 3.14Å; S95-E108 VanDerWaalsContact CB-CD 3.5Å; S95-E108 WeakPolarHBondContact CB-OE1 3.42Å; S95-E108 WeakPolarHBondContact CB-OE2 3.12Å
96	G	88.1	Confident	94.6	Very high	11 Å²	11	44.9 Å²	44.9	11%	0.113	25%	0.248	C	C	.	.			trans	-69.9	162.6	178.8	0	0	0	0	0	114.3	G98 K103	G96-G98 PolarHBondContact O-N 3.11Å; G96-K103 PolarHBondContact O-NZ 3.44Å
97	A	89.8	Confident	94.7	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.017	24%	0.244	C	C	.	.			trans	-75.5	-8	173	0	0	0	0	0	113.7	L68 N99 N100 K103 G142	L68-A97 HydrophobicContact CD1-CB 3.71Å; A97-N99 VanDerWaalsContact C-N 3.28Å; A97-N99 PolarHBondContact O-N 3.2Å; A97-N100 WeakPolarHBondContact O-CB 3.48Å; A97-N100 PolarHBondContact O-N 3.34Å; A97-K103 HydrophobicContact CB-CB 4.45Å; A97-G142 VanDerWaalsContact CB-C 3.49Å
98	G	89.7	Confident	94.7	Very high	66 Å²	66	40.2 Å²	40.2	68%	0.68	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	38	176.1	0	0	0	0	0	114.3	G96 N100	G96-G98 PolarHBondContact O-N 3.11Å; G98-N100 PolarHBondContact O-N 2.98Å
99	N	92.5	Very high	94.7	Very high	72 Å²	72	33.9 Å²	33.9	39%	0.385	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	21.1	-173.6	-63.6	-30.6	0	0	0	115.5	A97 T178 V180 N184	A97-N99 VanDerWaalsContact C-N 3.28Å; A97-N99 PolarHBondContact O-N 3.2Å; N99-T178 HydrophobicContact CB-CG2 3.67Å; N99-T178 PolarHBondContact ND2-OG1 3.09Å; N99-V180 HydrophobicContact CB-CG2 4.44Å; N99-V180 WeakPolarHBondContact O-CG2 3.48Å; N99-N184 PolarHBondContact O-ND2 2.73Å
100	N	96.4	Very high	94.6	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.053	20%	0.204	C	C	.	.			trans	-108.2	117.9	179.1	-175.9	-17	0	0	0	110.8	A97 G98 A102 K103 G104 W397 Y398	A97-N100 WeakPolarHBondContact O-CB 3.48Å; A97-N100 PolarHBondContact O-N 3.34Å; G98-N100 PolarHBondContact O-N 2.98Å; N100-A102 PolarHBondContact O-N 2.98Å; N100-A102 WeakPolarHBondContact OD1-CB 3.3Å; N100-A102 PolarHBondContact OD1-N 3.08Å; N100-K103 HydrophobicContact CB-CB 3.91Å; N100-K103 PolarHBondContact O-N 3.23Å; N100-K103 PolarHBondContact OD1-N 2.82Å; N100-G104 PolarHBondContact O-N 3.49Å; N100-G104 VanDerWaalsContact O-N 3.12Å; N100-W397 PolarHBondContact ND2-O 3.03Å; N100-Y398 WeakPolarHBondContact OD1-CD1 3.39Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.31Å
101	W	98	Very high	94.6	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.011	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-44	176.5	-178.7	104.4	0	0	0	112	K103 G104 H105 Y106 S145 G146 T149 N184 L187 S188 Q191 Y398 M403	W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 3Å; W101-G104 CarbonylContact O-C 3.48Å; W101-G104 WeakPolarHBondContact O-CA 3.34Å; W101-G104 PolarHBondContact O-N 2.8Å; W101-H105 HydrophobicContact CD2-CB 4.23Å; W101-H105 HydrophobicContact CE3-CB 3.98Å; W101-H105 HydrophobicContact CH2-CB 3.86Å; W101-H105 AromaticContact CH2-CD2 3.72Å; W101-H105 AromaticContact CH2-CE1 3.93Å; W101-H105 AromaticContact CH2-CG 3.44Å; W101-H105 VanDerWaalsContact CH2-CG 3.44Å; W101-H105 AromaticContact CH2-ND1 3.6Å; W101-H105 HydrophobicContact CZ2-CB 4.13Å; W101-H105 AromaticContact CZ2-CE1 3.97Å; W101-H105 AromaticContact CZ2-CG 3.74Å; W101-H105 AromaticContact CZ2-ND1 3.47Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.22Å; W101-H105 HydrophobicContact CZ3-CB 3.8Å; W101-H105 AromaticContact CZ3-CG 3.86Å; W101-H105 WeakPolarHBondContact O-CB 3.15Å; W101-H105 PolarHBondContact O-N 2.96Å; W101-Y106 HydrophobicContact CH2-CE2 4.41Å; W101-Y106 HydrophobicContact CZ3-CD2 4.37Å; W101-Y106 AromaticContact CZ3-CE2 3.78Å; W101-Y106 HydrophobicContact CZ3-CE2 3.78Å; W101-S145 VanDerWaalsContact CD1-C 3.43Å; W101-G146 VanDerWaalsContact CD1-CA 3.43Å; W101-G146 VanDerWaalsContact CD1-N 3.27Å; W101-G146 WeakPolarHBondContact O-CA 3.36Å; W101-T149 PolarHBondContact NE1-OG1 3.15Å; W101-N184 HydrophobicContact CB-CB 4.2Å; W101-N184 WeakPolarHBondContact CB-OD1 3.17Å; W101-N184 PolarHBondContact N-OD1 2.84Å; W101-L187 HydrophobicContact CB-CD1 4.27Å; W101-L187 HydrophobicContact CD2-CB 3.81Å; W101-L187 HydrophobicContact CD2-CD1 3.86Å; W101-L187 HydrophobicContact CD2-CG 4.45Å; W101-L187 HydrophobicContact CE3-CB 4.25Å; W101-L187 HydrophobicContact CE3-CD1 3.68Å; W101-L187 HydrophobicContact CE3-CG 4.48Å; W101-L187 HydrophobicContact CG-CB 4.07Å; W101-L187 HydrophobicContact CG-CD1 4.11Å; W101-L187 HydrophobicContact CZ2-CB 4.22Å; W101-L187 HydrophobicContact CZ3-CD1 4.32Å; W101-S188 PolarHBondContact NE1-OG 2.97Å; W101-Q191 HydrophobicContact CZ2-CG 4.19Å; W101-Y398 HydrophobicContact CB-CE1 3.97Å; W101-M403 HydrophobicContact CE3-SD 4.13Å; W101-M403 HydrophobicContact CZ3-CE 4.36Å; W101-M403 HydrophobicContact CZ3-SD 4.05Å
102	A	98.1	Very high	94.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-37.4	-178.8	0	0	0	0	0	111.6	N100 G104 H105 Y106 Y398 E401 M403	N100-A102 PolarHBondContact O-N 2.98Å; N100-A102 WeakPolarHBondContact OD1-CB 3.3Å; N100-A102 PolarHBondContact OD1-N 3.08Å; A102-G104 VanDerWaalsContact C-N 3.34Å; A102-H105 PolarHBondContact O-N 2.87Å; A102-Y106 HydrophobicContact CB-CD2 4.19Å; A102-Y106 WeakPolarHBondContact O-CB 3.4Å; A102-Y106 PolarHBondContact O-N 3.07Å; A102-Y398 HydrophobicContact CB-CD1 3.81Å; A102-Y398 HydrophobicContact CB-CG 4.26Å; A102-E401 HydrophobicContact CB-CB 3.92Å; A102-E401 HydrophobicContact CB-CG 4.37Å; A102-M403 HydrophobicContact CB-CB 4Å; A102-M403 HydrophobicContact CB-SD 4Å
103	K	97.2	Very high	94.5	Very high	42 Å²	42	40 Å²	40	18%	0.183	23%	0.227	C	C	.	.	I	π-helix	trans	-64.2	-41.4	173.7	-165.9	168.3	-162.3	-117.9	0	111.9	G96 A97 N100 W101 H105 T107 E108 E401	G96-K103 PolarHBondContact O-NZ 3.44Å; A97-K103 HydrophobicContact CB-CB 4.45Å; N100-K103 HydrophobicContact CB-CB 3.91Å; N100-K103 PolarHBondContact O-N 3.23Å; N100-K103 PolarHBondContact OD1-N 2.82Å; W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 3Å; K103-H105 VanDerWaalsContact C-N 3.27Å; K103-H105 PolarHBondContact O-N 2.91Å; K103-T107 VanDerWaalsContact CA-OG1 3.32Å; K103-T107 WeakPolarHBondContact CA-OG1 3.34Å; K103-T107 VanDerWaalsContact CG-OG1 3.3Å; K103-T107 WeakPolarHBondContact CG-OG1 3.44Å; K103-T107 PolarHBondContact O-N 3.19Å; K103-T107 PolarHBondContact O-OG1 2.77Å; K103-E108 HydrophobicContact CD-CG 4.18Å; K103-E108 WeakPolarHBondContact CE-OE1 3.49Å; K103-E108 HydrophobicContact CG-CG 3.77Å; K103-E108 IonicContact NZ-OE1 3.55Å; K103-E108 PolarHBondContact NZ-OE1 2.96Å; K103-E108 PolarHBondContact O-N 2.99Å; K103-E401 HydrophobicContact CB-CG 4.05Å
104	G	97.3	Very high	94.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-68.2	-22.6	174.2	0	0	0	0	0	114	N100 W101 A102 G109 G146 M147	N100-G104 PolarHBondContact O-N 3.49Å; N100-G104 VanDerWaalsContact O-N 3.12Å; W101-G104 CarbonylContact O-C 3.48Å; W101-G104 WeakPolarHBondContact O-CA 3.34Å; W101-G104 PolarHBondContact O-N 2.8Å; A102-G104 VanDerWaalsContact C-N 3.34Å; G104-G109 VanDerWaalsContact O-CA 3.23Å; G104-G109 WeakPolarHBondContact O-CA 3.46Å; G104-G146 CarbonylContact O-C 3.47Å; G104-M147 WeakPolarHBondContact O-CA 3.38Å; G104-M147 VanDerWaalsContact O-CB 3.29Å; G104-M147 WeakPolarHBondContact O-CB 3.25Å; G104-M147 PolarHBondContact O-N 3.08Å; G104-M147 VanDerWaalsContact O-N 3.08Å
105	H	98.1	Very high	95.1	Very high	22 Å²	22	40.4 Å²	40.4	10%	0.102	24%	0.236	C	C	.	.	I	π-helix	trans	-102.3	-47.1	-174.3	-165.5	89.2	0	0	0	113.2	W101 A102 K103 G146 L150	W101-H105 HydrophobicContact CD2-CB 4.23Å; W101-H105 HydrophobicContact CE3-CB 3.98Å; W101-H105 HydrophobicContact CH2-CB 3.86Å; W101-H105 AromaticContact CH2-CD2 3.72Å; W101-H105 AromaticContact CH2-CE1 3.93Å; W101-H105 AromaticContact CH2-CG 3.44Å; W101-H105 VanDerWaalsContact CH2-CG 3.44Å; W101-H105 AromaticContact CH2-ND1 3.6Å; W101-H105 HydrophobicContact CZ2-CB 4.13Å; W101-H105 AromaticContact CZ2-CE1 3.97Å; W101-H105 AromaticContact CZ2-CG 3.74Å; W101-H105 AromaticContact CZ2-ND1 3.47Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.22Å; W101-H105 HydrophobicContact CZ3-CB 3.8Å; W101-H105 AromaticContact CZ3-CG 3.86Å; W101-H105 WeakPolarHBondContact O-CB 3.15Å; W101-H105 PolarHBondContact O-N 2.96Å; A102-H105 PolarHBondContact O-N 2.87Å; K103-H105 VanDerWaalsContact C-N 3.27Å; K103-H105 PolarHBondContact O-N 2.91Å; H105-G146 PolarHBondContact ND1-O 2.91Å; H105-L150 WeakPolarHBondContact O-CD2 3.39Å
106	Y	97.3	Very high	95.6	Very high	87 Å²	87	37.7 Å²	37.7	34%	0.341	22%	0.217	S	C	.	.	I	π-helix	trans	-100.2	-20.3	-170.8	-69.7	-63.4	0	0	0	114.7	W101 A102 M403 E407	W101-Y106 HydrophobicContact CH2-CE2 4.41Å; W101-Y106 HydrophobicContact CZ3-CD2 4.37Å; W101-Y106 AromaticContact CZ3-CE2 3.78Å; W101-Y106 HydrophobicContact CZ3-CE2 3.78Å; A102-Y106 HydrophobicContact CB-CD2 4.19Å; A102-Y106 WeakPolarHBondContact O-CB 3.4Å; A102-Y106 PolarHBondContact O-N 3.07Å; Y106-M403 HydrophobicContact CD2-CB 3.89Å; Y106-M403 HydrophobicContact CD2-CG 4.41Å; Y106-M403 HydrophobicContact CE2-CB 3.69Å; Y106-M403 HydrophobicContact CE2-CG 3.75Å; Y106-M403 HydrophobicContact CE2-SD 4.45Å; Y106-E407 PolarHBondContact OH-OE1 3.17Å; Y106-E407 PolarHBondContact OH-OE2 3.03Å
107	T	96.1	Very high	96.1	Very high	36 Å²	36	37.5 Å²	37.5	22%	0.221	21%	0.213	C	C	.	.	I	π-helix	trans	-120.3	-93.1	-176.1	60.3	0	0	0	0	111.6	K103 G109 A110 E111 E401	K103-T107 VanDerWaalsContact CA-OG1 3.32Å; K103-T107 WeakPolarHBondContact CA-OG1 3.34Å; K103-T107 VanDerWaalsContact CG-OG1 3.3Å; K103-T107 WeakPolarHBondContact CG-OG1 3.44Å; K103-T107 PolarHBondContact O-N 3.19Å; K103-T107 PolarHBondContact O-OG1 2.77Å; T107-G109 VanDerWaalsContact C-N 3.31Å; T107-G109 PolarHBondContact O-N 3.04Å; T107-A110 WeakPolarHBondContact O-CB 3.32Å; T107-A110 PolarHBondContact O-N 3.48Å; T107-A110 VanDerWaalsContact O-N 3.07Å; T107-E111 PolarHBondContact O-N 2.89Å; T107-E401 HydrophobicContact CG2-CB 4.17Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.38Å; T107-E401 PolarHBondContact OG1-OE2 2.93Å
108	E	95.7	Very high	96.5	Very high	39 Å²	39	41.3 Å²	41.3	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-59	-41	-172.4	-58.2	-73.4	-179	0	0	112.4	L68 S95 K103 L112	L68-E108 HydrophobicContact CD1-CB 3.88Å; L68-E108 HydrophobicContact CD2-CB 3.94Å; L68-E108 HydrophobicContact CG-CB 4.44Å; S95-E108 VanDerWaalsContact CB-CD 3.5Å; S95-E108 WeakPolarHBondContact CB-OE1 3.42Å; S95-E108 WeakPolarHBondContact CB-OE2 3.12Å; K103-E108 HydrophobicContact CD-CG 4.18Å; K103-E108 WeakPolarHBondContact CE-OE1 3.49Å; K103-E108 HydrophobicContact CG-CG 3.77Å; K103-E108 IonicContact NZ-OE1 3.55Å; K103-E108 PolarHBondContact NZ-OE1 2.96Å; K103-E108 PolarHBondContact O-N 2.99Å; E108-L112 PolarHBondContact O-N 3.48Å
109	G	95.7	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-74.4	-32.2	177.5	0	0	0	0	0	113.7	G104 T107 E111 L112 V113	G104-G109 VanDerWaalsContact O-CA 3.23Å; G104-G109 WeakPolarHBondContact O-CA 3.46Å; T107-G109 VanDerWaalsContact C-N 3.31Å; T107-G109 PolarHBondContact O-N 3.04Å; G109-E111 VanDerWaalsContact C-N 3.29Å; G109-E111 PolarHBondContact O-N 3.49Å; G109-L112 PolarHBondContact O-N 2.97Å; G109-V113 WeakPolarHBondContact O-CB 3.31Å; G109-V113 PolarHBondContact O-N 3.01Å
110	A	95.8	Very high	97.2	Very high	40 Å²	40	35.3 Å²	35.3	33%	0.331	19%	0.186	S	C	.	.	H	α-helix	trans	-65.9	-33.3	174.1	0	0	0	0	0	111.9	T107 L112 V113	T107-A110 WeakPolarHBondContact O-CB 3.32Å; T107-A110 PolarHBondContact O-N 3.48Å; T107-A110 VanDerWaalsContact O-N 3.07Å; A110-L112 VanDerWaalsContact C-N 3.33Å; A110-V113 WeakPolarHBondContact O-CG1 3.31Å
111	E	95.7	Very high	97.3	Very high	157 Å²	157	38.4 Å²	38.4	73%	0.734	20%	0.197	S	C	*	.	H	α-helix	trans	-69.7	-30.7	174.2	-68.7	-173.7	-179.4	0	0	112.7	T107 G109	T107-E111 PolarHBondContact O-N 2.89Å; G109-E111 VanDerWaalsContact C-N 3.29Å; G109-E111 PolarHBondContact O-N 3.49Å
112	L	96.3	Very high	97.3	Very high	22 Å²	22	43.9 Å²	43.9	12%	0.115	22%	0.221	C	C	.	.	H	α-helix	trans	-94.1	-21.5	-175.1	-165.5	63.2	0	0	0	113.6	V66 L68 I91 E108 G109 A110 D114 S115 V116 M147	V66-L112 HydrophobicContact CG1-CD2 4.36Å; L68-L112 HydrophobicContact CD2-CB 4.38Å; L68-L112 HydrophobicContact CD2-CD2 3.9Å; I91-L112 HydrophobicContact CG2-CD1 3.77Å; I91-L112 HydrophobicContact CG2-CD2 4.31Å; I91-L112 HydrophobicContact CG2-CG 4Å; E108-L112 PolarHBondContact O-N 3.48Å; G109-L112 PolarHBondContact O-N 2.97Å; A110-L112 VanDerWaalsContact C-N 3.33Å; L112-D114 PolarHBondContact O-N 3.4Å; L112-S115 WeakPolarHBondContact O-CB 3.28Å; L112-S115 PolarHBondContact O-N 3.03Å; L112-S115 VanDerWaalsContact O-N 3.15Å; L112-V116 HydrophobicContact CG-CG2 4.39Å; L112-V116 PolarHBondContact O-N 2.92Å; L112-M147 HydrophobicContact CB-CE 3.7Å; L112-M147 HydrophobicContact CB-SD 4.46Å; L112-M147 HydrophobicContact CD2-CE 3.88Å; L112-M147 HydrophobicContact CD2-SD 4.19Å; L112-M147 HydrophobicContact CG-CE 3.88Å
113	V	97.5	Very high	97.3	Very high	9 Å²	9	44 Å²	44	6%	0.055	22%	0.221	C	C	.	.	H	α-helix	trans	-56.8	-43.5	-169.4	72.7	0	0	0	0	113.3	G109 A110 S115 V116 L117 L150 L151 K154	G109-V113 WeakPolarHBondContact O-CB 3.31Å; G109-V113 PolarHBondContact O-N 3.01Å; A110-V113 WeakPolarHBondContact O-CG1 3.31Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 2.92Å; V113-V116 WeakPolarHBondContact O-CA 3.47Å; V113-V116 WeakPolarHBondContact O-CB 3.26Å; V113-V116 PolarHBondContact O-N 2.86Å; V113-L117 HydrophobicContact CG2-CD1 4.17Å; V113-L117 HydrophobicContact CG2-CG 4.34Å; V113-L117 WeakPolarHBondContact O-CG 3.42Å; V113-L117 PolarHBondContact O-N 3.26Å; V113-L150 HydrophobicContact CB-CD2 3.95Å; V113-L150 HydrophobicContact CG1-CD2 4.35Å; V113-L150 HydrophobicContact CG2-CD2 4Å; V113-L150 HydrophobicContact CG2-CG 4.06Å; V113-L151 HydrophobicContact CG2-CD2 3.83Å; V113-K154 HydrophobicContact CG2-CB 4.49Å; V113-K154 HydrophobicContact CG2-CG 4.09Å
114	D	97.6	Very high	97.3	Very high	111 Å²	111	42.6 Å²	42.6	59%	0.594	22%	0.217	S	C	*	.	H	α-helix	trans	-62.9	-38.5	-178	-70.9	-22.2	0	0	0	111.7	L112 V116 L117 D118	L112-D114 PolarHBondContact O-N 3.4Å; D114-V116 VanDerWaalsContact C-N 3.28Å; D114-V116 PolarHBondContact O-N 2.89Å; D114-L117 PolarHBondContact O-N 2.9Å; D114-D118 PolarHBondContact O-N 3.02Å
115	S	97.5	Very high	97.2	Very high	62 Å²	62	49.3 Å²	49.3	43%	0.434	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-35.6	176	-63.4	0	0	0	0	111.6	L112 V113 V119	L112-S115 WeakPolarHBondContact O-CB 3.28Å; L112-S115 PolarHBondContact O-N 3.03Å; L112-S115 VanDerWaalsContact O-N 3.15Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 2.92Å; S115-V119 PolarHBondContact O-N 3.38Å
116	V	98.2	Very high	97	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.9	-46.7	174.9	-176.6	0	0	0	0	111.1	I64 V66 I91 L112 V113 D114 D118 V119 V120 M147 L151	I64-V116 HydrophobicContact CG2-CG1 4.26Å; V66-V116 HydrophobicContact CG1-CG2 3.79Å; V66-V116 HydrophobicContact CG2-CB 4.49Å; V66-V116 HydrophobicContact CG2-CG1 3.7Å; V66-V116 HydrophobicContact CG2-CG2 3.88Å; I91-V116 HydrophobicContact CB-CG2 4.24Å; I91-V116 HydrophobicContact CD1-CB 4.19Å; I91-V116 HydrophobicContact CD1-CG1 4.38Å; I91-V116 HydrophobicContact CD1-CG2 4.03Å; I91-V116 HydrophobicContact CG2-CG2 3.78Å; L112-V116 HydrophobicContact CG-CG2 4.39Å; L112-V116 PolarHBondContact O-N 2.92Å; V113-V116 WeakPolarHBondContact O-CA 3.47Å; V113-V116 WeakPolarHBondContact O-CB 3.26Å; V113-V116 PolarHBondContact O-N 2.86Å; D114-V116 VanDerWaalsContact C-N 3.28Å; D114-V116 PolarHBondContact O-N 2.89Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 3.26Å; V116-V119 PolarHBondContact O-N 3.39Å; V116-V120 HydrophobicContact CG1-CG2 4.27Å; V116-V120 WeakPolarHBondContact O-CG2 3.38Å; V116-V120 PolarHBondContact O-N 3.49Å; V116-M147 HydrophobicContact CG2-CE 3.77Å; V116-L151 HydrophobicContact CB-CD2 3.77Å; V116-L151 HydrophobicContact CG1-CD1 4.21Å; V116-L151 HydrophobicContact CG1-CD2 3.51Å; V116-L151 HydrophobicContact CG2-CD2 4.37Å
117	L	98.4	Very high	97	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.042	25%	0.25	C	S	.	.	H	α-helix	trans	-60.7	-35.7	178.9	-67.9	172.7	0	0	0	112.1	V113 D114 V119 V120 R121 K154 V155	V113-L117 HydrophobicContact CG2-CD1 4.17Å; V113-L117 HydrophobicContact CG2-CG 4.34Å; V113-L117 WeakPolarHBondContact O-CG 3.42Å; V113-L117 PolarHBondContact O-N 3.26Å; D114-L117 PolarHBondContact O-N 2.9Å; L117-V119 VanDerWaalsContact C-N 3.32Å; L117-V119 PolarHBondContact O-N 3.36Å; L117-V120 WeakPolarHBondContact O-CB 3.47Å; L117-V120 PolarHBondContact O-N 2.98Å; L117-R121 WeakPolarHBondContact O-CB 3.24Å; L117-R121 PolarHBondContact O-N 2.89Å; L117-K154 HydrophobicContact CD1-CB 3.86Å; L117-K154 HydrophobicContact CD1-CG 4.29Å; L117-K154 HydrophobicContact CD2-CB 3.94Å; L117-K154 HydrophobicContact CG-CB 4.43Å; L117-V155 HydrophobicContact CD2-CG2 3.91Å
118	D	98.3	Very high	96.9	Very high	81 Å²	81	52.9 Å²	52.9	43%	0.433	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-37.2	173.6	-81.7	-10.4	0	0	0	113.1	D114 V116 R121 K122	D114-D118 PolarHBondContact O-N 3.02Å; V116-D118 VanDerWaalsContact C-N 3.26Å; V116-D118 PolarHBondContact O-N 3.26Å; D118-R121 IonicContact OD1-CZ 2.77Å; D118-R121 IonicContact OD1-NH1 3.18Å; D118-R121 PolarHBondContact OD1-NH1 3.36Å; D118-K122 VanDerWaalsContact O-CG 3.31Å; D118-K122 WeakPolarHBondContact O-CG 3.31Å; D118-K122 PolarHBondContact O-N 3.35Å
119	V	98.2	Very high	96.8	Very high	12 Å²	12	54.2 Å²	54.2	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-76.4	-38.9	175.2	177.6	0	0	0	0	111.1	I64 N89 I91 S115 V116 L117 R121 K122 E123	I64-V119 HydrophobicContact CD1-CG1 4.05Å; I64-V119 HydrophobicContact CG1-CG1 4Å; I64-V119 HydrophobicContact CG2-CG1 4.23Å; N89-V119 HydrophobicContact CB-CG1 4.32Å; I91-V119 HydrophobicContact CD1-CB 3.7Å; I91-V119 HydrophobicContact CD1-CG1 4.27Å; I91-V119 HydrophobicContact CD1-CG2 3.48Å; I91-V119 VanDerWaalsContact CD1-CG2 3.48Å; I91-V119 HydrophobicContact CG1-CG2 4.28Å; S115-V119 PolarHBondContact O-N 3.38Å; V116-V119 PolarHBondContact O-N 3.39Å; L117-V119 VanDerWaalsContact C-N 3.32Å; L117-V119 PolarHBondContact O-N 3.36Å; V119-R121 VanDerWaalsContact C-N 3.28Å; V119-R121 PolarHBondContact O-N 2.96Å; V119-K122 PolarHBondContact O-N 3.29Å; V119-E123 PolarHBondContact O-N 3.3Å
120	V	98.5	Very high	96.8	Very high	1 Å²	1	55 Å²	55	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-53.6	-49.3	171.7	172.2	0	0	0	0	109.8	I7 I64 V116 L117 K122 E123 C124 F133 V155 Y159	I7-V120 HydrophobicContact CD1-CG2 4.03Å; I64-V120 VanDerWaalsContact CD1-CA 3.5Å; I64-V120 HydrophobicContact CD1-CB 4.09Å; I64-V120 HydrophobicContact CD1-CG2 3.51Å; V116-V120 HydrophobicContact CG1-CG2 4.27Å; V116-V120 WeakPolarHBondContact O-CG2 3.38Å; V116-V120 PolarHBondContact O-N 3.49Å; L117-V120 WeakPolarHBondContact O-CB 3.47Å; L117-V120 PolarHBondContact O-N 2.98Å; V120-K122 PolarHBondContact O-N 2.89Å; V120-E123 PolarHBondContact O-N 3.37Å; V120-C124 WeakPolarHBondContact O-CB 2.93Å; V120-C124 PolarHBondContact O-N 3.41Å; V120-C124 PolarHBondContact O-SG 3.2Å; V120-F133 HydrophobicContact CG1-CE1 3.66Å; V120-F133 HydrophobicContact CG1-CZ 4.25Å; V120-V155 HydrophobicContact CG1-CG2 4.3Å; V120-V155 HydrophobicContact CG2-CG2 4.5Å; V120-Y159 HydrophobicContact CG1-CE2 4.12Å
121	R	98.2	Very high	96.8	Very high	74 Å²	74	54 Å²	54	28%	0.279	28%	0.279	S	S	.	.	H	α-helix	trans	-57.9	-46.5	178.5	-168.4	175.4	-56.5	109.1	7	112.3	L117 D118 V119 E123 C124 E125 E158	L117-R121 WeakPolarHBondContact O-CB 3.24Å; L117-R121 PolarHBondContact O-N 2.89Å; D118-R121 IonicContact OD1-CZ 2.77Å; D118-R121 IonicContact OD1-NH1 3.18Å; D118-R121 PolarHBondContact OD1-NH1 3.36Å; V119-R121 VanDerWaalsContact C-N 3.28Å; V119-R121 PolarHBondContact O-N 2.96Å; R121-E123 PolarHBondContact O-N 2.87Å; R121-C124 WeakPolarHBondContact O-CB 3.47Å; R121-C124 PolarHBondContact O-N 2.95Å; R121-E125 WeakPolarHBondContact O-CB 3.26Å; R121-E125 VanDerWaalsContact O-CG 3.3Å; R121-E125 WeakPolarHBondContact O-CG 3.33Å; R121-E125 PolarHBondContact O-N 3.24Å; R121-E158 IonicContact CZ-OE2 3.57Å; R121-E158 IonicContact NE-OE2 3.94Å; R121-E158 VanDerWaalsContact NH2-CD 3.32Å; R121-E158 IonicContact NH2-OE1 2.87Å; R121-E158 PolarHBondContact NH2-OE1 2.82Å; R121-E158 IonicContact NH2-OE2 3.63Å; R121-E158 PolarHBondContact NH2-OE2 3.22Å
122	K	97.8	Very high	96.9	Very high	118 Å²	118	46.5 Å²	46.5	51%	0.513	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-41.2	176.9	-70.8	167.7	-172	168.1	0	112.6	D118 V119 V120 N126	D118-K122 VanDerWaalsContact O-CG 3.31Å; D118-K122 WeakPolarHBondContact O-CG 3.31Å; D118-K122 PolarHBondContact O-N 3.35Å; V119-K122 PolarHBondContact O-N 3.29Å; V120-K122 PolarHBondContact O-N 2.89Å; K122-N126 VanDerWaalsContact O-CG 3.28Å; K122-N126 PolarHBondContact O-N 2.84Å; K122-N126 PolarHBondContact O-ND2 3.13Å
123	E	97.4	Very high	97	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-68.1	-38.7	176.9	-72	-60.3	143.3	0	0	111.6	V5 I64 R86 N89 V119 V120 R121 N126 C127	V5-E123 HydrophobicContact CG1-CB 4.21Å; V5-E123 HydrophobicContact CG2-CB 4.03Å; I64-E123 HydrophobicContact CD1-CB 4.43Å; I64-E123 HydrophobicContact CD1-CG 4.16Å; I64-E123 HydrophobicContact CG1-CG 4.19Å; R86-E123 IonicContact NH1-OE1 3.54Å; N89-E123 PolarHBondContact ND2-OE1 3.5Å; V119-E123 PolarHBondContact O-N 3.3Å; V120-E123 PolarHBondContact O-N 3.37Å; R121-E123 PolarHBondContact O-N 2.87Å; E123-N126 PolarHBondContact O-N 2.83Å; E123-C127 PolarHBondContact O-N 3.32Å; E123-C127 PolarHBondContact O-SG 3.38Å
124	C	97	Very high	97	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.081	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-43.4	174.2	-69.1	0	0	0	0	112.7	V120 R121 N126 C127 L130 F133 Y159	V120-C124 WeakPolarHBondContact O-CB 2.93Å; V120-C124 PolarHBondContact O-N 3.41Å; V120-C124 PolarHBondContact O-SG 3.2Å; R121-C124 WeakPolarHBondContact O-CB 3.47Å; R121-C124 PolarHBondContact O-N 2.95Å; C124-N126 PolarHBondContact O-N 2.78Å; C124-C127 VanDerWaalsContact O-CB 3.3Å; C124-C127 WeakPolarHBondContact O-CB 3.28Å; C124-C127 PolarHBondContact O-N 2.82Å; C124-L130 HydrophobicContact CB-CD2 4.12Å; C124-L130 VanDerWaalsContact SG-CD2 3.58Å; C124-F133 VanDerWaalsContact SG-CE1 3.52Å; C124-F133 VanDerWaalsContact SG-CZ 3.6Å; C124-Y159 HydrophobicContact CB-CE1 4.14Å
125	E	96.1	Very high	97	Very high	142 Å²	142	39.9 Å²	39.9	66%	0.664	21%	0.208	S	C	*	.	H	α-helix	trans	-63.8	-26.9	176	-74.6	172.9	175.4	0	0	112.5	R121 C127	R121-E125 WeakPolarHBondContact O-CB 3.26Å; R121-E125 VanDerWaalsContact O-CG 3.3Å; R121-E125 WeakPolarHBondContact O-CG 3.33Å; R121-E125 PolarHBondContact O-N 3.24Å; E125-C127 VanDerWaalsContact C-N 3.26Å; E125-C127 PolarHBondContact O-N 2.98Å
126	N	94.4	Very high	97.1	Very high	70 Å²	70	36.9 Å²	36.9	37%	0.374	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	5.7	173.6	-70.7	-44.4	0	0	0	113.4	R62 K122 E123 C124	R62-N126 PolarHBondContact NH1-O 2.85Å; R62-N126 PolarHBondContact NH2-O 3.06Å; K122-N126 VanDerWaalsContact O-CG 3.28Å; K122-N126 PolarHBondContact O-N 2.84Å; K122-N126 PolarHBondContact O-ND2 3.13Å; E123-N126 PolarHBondContact O-N 2.83Å; C124-N126 PolarHBondContact O-N 2.78Å
127	C	95.8	Very high	97.1	Very high	16 Å²	16	36.9 Å²	36.9	11%	0.108	19%	0.188	C	C	.	.			trans	-99	135.3	173.9	-63.2	0	0	0	0	110.4	E3 R62 E123 C124 E125 L130	E3-C127 HydrophobicContact CB-CB 3.97Å; E3-C127 HydrophobicContact CG-CB 4.35Å; R62-C127 PolarHBondContact NH1-SG 3.06Å; E123-C127 PolarHBondContact O-N 3.32Å; E123-C127 PolarHBondContact O-SG 3.38Å; C124-C127 VanDerWaalsContact O-CB 3.3Å; C124-C127 WeakPolarHBondContact O-CB 3.28Å; C124-C127 PolarHBondContact O-N 2.82Å; E125-C127 VanDerWaalsContact C-N 3.26Å; E125-C127 PolarHBondContact O-N 2.98Å; C127-L130 HydrophobicContact CB-CB 4.16Å
128	D	94.3	Very high	97	Very high	134 Å²	134	37.1 Å²	37.1	72%	0.717	19%	0.19	S	C	*	.	S	Bend	trans	-70.4	-36.3	174.4	-65.6	-32.5	0	0	0	111.6	E3	E3-D128 PolarHBondContact OE2-N 3.3Å
129	C	93.9	Very high	96.9	Very high	67 Å²	67	33.4 Å²	33.4	45%	0.453	17%	0.17	S	C	.	.	S	Bend	trans	-157	85.4	177.7	170.2	0	0	0	0	109.9	M1 R2 E3 Q131	M1-C129 WeakPolarHBondContact O-CB 3.43Å; R2-C129 CarbonylContact C-O 3.5Å; R2-C129 VanDerWaalsContact CA-O 3.32Å; R2-C129 WeakPolarHBondContact CA-O 3.47Å; E3-C129 PolarHBondContact N-O 3.13Å; E3-C129 WeakPolarHBondContact OE2-CA 2.85Å; E3-C129 PolarHBondContact OE2-N 3.47Å; C129-Q131 PolarHBondContact O-N 3.27Å
130	L	96.3	Very high	96.7	Very high	16 Å²	16	32.9 Å²	32.9	8%	0.084	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	124	173.3	179.6	69.4	0	0	0	111.1	V5 C124 C127 G132 F133 Y159 R162	V5-L130 HydrophobicContact CG2-CD1 3.92Å; C124-L130 HydrophobicContact CB-CD2 4.12Å; C124-L130 VanDerWaalsContact SG-CD2 3.58Å; C127-L130 HydrophobicContact CB-CB 4.16Å; L130-G132 WeakPolarHBondContact CD1-O 3.02Å; L130-F133 HydrophobicContact CD2-CE1 4.48Å; L130-F133 HydrophobicContact CD2-CE2 4.21Å; L130-F133 HydrophobicContact CD2-CZ 3.8Å; L130-Y159 HydrophobicContact CD2-CD1 4.22Å; L130-Y159 HydrophobicContact CD2-CE1 4.41Å; L130-R162 HydrophobicContact CD2-CG 4.07Å; L130-R162 HydrophobicContact CG-CG 4.43Å; L130-R162 WeakPolarHBondContact O-CD 3.3Å; L130-R162 PolarHBondContact O-NE 2.99Å
131	Q	95	Very high	96.3	Very high	18 Å²	18	33.7 Å²	33.7	8%	0.084	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-39	170.7	-63.7	-173.5	74.2	0	0	112.6	R2 E3 I4 C129 I163 L250	R2-Q131 VanDerWaalsContact CB-CD 3.46Å; R2-Q131 HydrophobicContact CB-CG 3.48Å; R2-Q131 VanDerWaalsContact CB-CG 3.48Å; R2-Q131 HydrophobicContact CG-CG 3.95Å; R2-Q131 PolarHBondContact O-NE2 3.48Å; E3-Q131 PolarHBondContact O-N 3.33Å; I4-Q131 HydrophobicContact CG1-CB 4.48Å; C129-Q131 PolarHBondContact O-N 3.27Å; Q131-I163 PolarHBondContact O-N 2.94Å; Q131-I163 VanDerWaalsContact O-N 3.14Å; Q131-L250 VanDerWaalsContact OE1-N 3.12Å
132	G	97.2	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-177	-163.1	0	0	0	0	0	114.1	I4 V5 L130 I163	I4-G132 WeakPolarHBondContact CA-O 3.46Å; V5-G132 PolarHBondContact N-O 2.89Å; L130-G132 WeakPolarHBondContact CD1-O 3.02Å; G132-I163 CarbonylContact C-O 3.54Å; G132-I163 WeakPolarHBondContact CA-O 3.47Å
133	F	98.4	Very high	96	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144	-179.8	-56.8	-86	0	0	0	108.9	V5 I7 V120 C124 L130 V155 Y159 R162 I163 M164 N165	V5-F133 HydrophobicContact CB-CD1 3.87Å; V5-F133 HydrophobicContact CB-CE1 4.09Å; V5-F133 HydrophobicContact CG1-CD1 4.24Å; V5-F133 HydrophobicContact CG1-CE1 4.44Å; V5-F133 WeakPolarHBondContact O-CA 2.82Å; I7-F133 HydrophobicContact CD1-CD1 4.21Å; V120-F133 HydrophobicContact CG1-CE1 3.66Å; V120-F133 HydrophobicContact CG1-CZ 4.25Å; C124-F133 VanDerWaalsContact SG-CE1 3.52Å; C124-F133 VanDerWaalsContact SG-CZ 3.6Å; L130-F133 HydrophobicContact CD2-CE1 4.48Å; L130-F133 HydrophobicContact CD2-CE2 4.21Å; L130-F133 HydrophobicContact CD2-CZ 3.8Å; F133-V155 HydrophobicContact CD1-CG1 3.88Å; F133-V155 HydrophobicContact CD2-CG1 3.39Å; F133-V155 HydrophobicContact CE1-CG1 3.83Å; F133-V155 HydrophobicContact CE2-CG1 3.32Å; F133-V155 HydrophobicContact CG-CG1 3.67Å; F133-V155 HydrophobicContact CZ-CG1 3.54Å; F133-Y159 AromaticContact CE2-CD2 3.93Å; F133-Y159 HydrophobicContact CE2-CD2 3.93Å; F133-Y159 AromaticContact CE2-CG 3.83Å; F133-Y159 HydrophobicContact CE2-CG 3.83Å; F133-Y159 HydrophobicContact CZ-CD1 4.31Å; F133-Y159 AromaticContact CZ-CD2 3.54Å; F133-Y159 HydrophobicContact CZ-CD2 3.54Å; F133-Y159 AromaticContact CZ-CE2 3.96Å; F133-Y159 HydrophobicContact CZ-CE2 3.96Å; F133-Y159 AromaticContact CZ-CG 3.73Å; F133-Y159 HydrophobicContact CZ-CG 3.73Å; F133-R162 HydrophobicContact CD2-CB 4.41Å; F133-R162 HydrophobicContact CE2-CB 4.03Å; F133-I163 PolarHBondContact N-O 3.44Å; F133-M164 HydrophobicContact CB-CE 3.86Å; F133-M164 HydrophobicContact CB-SD 3.82Å; F133-M164 HydrophobicContact CD2-CE 4.05Å; F133-M164 HydrophobicContact CG-CE 4.12Å; F133-N165 WeakPolarHBondContact O-CB 3.24Å; F133-N165 PolarHBondContact O-N 3.08Å
134	Q	98	Very high	95.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.3	167.3	-176.1	-177.8	8.3	0	0	106.8	I4 V5 H6 I7 Y50 N165 F167	I4-Q134 HydrophobicContact CG2-CB 3.95Å; V5-Q134 PolarHBondContact O-N 3.17Å; H6-Q134 CarbonylContact C-O 3.49Å; H6-Q134 VanDerWaalsContact CA-O 3.31Å; H6-Q134 WeakPolarHBondContact CA-O 3.4Å; H6-Q134 PolarHBondContact CD2-O 3.29Å; H6-Q134 VanDerWaalsContact CD2-O 3.3Å; I7-Q134 PolarHBondContact N-O 3.32Å; Y50-Q134 VanDerWaalsContact CE1-OE1 3.22Å; Y50-Q134 VanDerWaalsContact CZ-OE1 3.31Å; Y50-Q134 PolarHBondContact OH-OE1 3.31Å; Q134-N165 CarbonylContact C-O 3.54Å; Q134-N165 VanDerWaalsContact CA-O 3.25Å; Q134-N165 WeakPolarHBondContact CA-O 3.22Å; Q134-F167 HydrophobicContact CG-CD2 3.87Å; Q134-F167 HydrophobicContact CG-CE2 3.87Å; Q134-F167 VanDerWaalsContact NE2-CD2 3.31Å
135	L	98.4	Very high	95.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.4	178	-176.1	146.5	0	0	0	110.6	I7 H137 L151 I152 N165 T166 F167	I7-L135 HydrophobicContact CB-CB 4.46Å; I7-L135 HydrophobicContact CB-CD1 4.25Å; I7-L135 HydrophobicContact CB-CG 4.36Å; I7-L135 HydrophobicContact CG2-CD1 4.06Å; I7-L135 HydrophobicContact CG2-CG 4.46Å; I7-L135 CarbonylContact O-C 3.56Å; I7-L135 VanDerWaalsContact O-CA 3.3Å; I7-L135 WeakPolarHBondContact O-CA 3.41Å; L135-H137 HydrophobicContact CD2-CB 3.54Å; L135-H137 VanDerWaalsContact CD2-CD2 3.49Å; L135-H137 WeakPolarHBondContact CD2-CD2 3.48Å; L135-L151 HydrophobicContact CD1-CB 4.49Å; L135-I152 HydrophobicContact CD1-CD1 4.4Å; L135-I152 HydrophobicContact CD1-CG1 3.8Å; L135-I152 HydrophobicContact CD2-CD1 4.17Å; L135-I152 HydrophobicContact CD2-CG1 4.45Å; L135-N165 PolarHBondContact N-O 3.48Å; L135-T166 HydrophobicContact CB-CG2 4.33Å; L135-T166 CarbonylContact O-C 3.52Å; L135-T166 VanDerWaalsContact O-CA 3.24Å; L135-T166 WeakPolarHBondContact O-CA 3.31Å; L135-F167 PolarHBondContact O-N 3.02Å
136	T	98.5	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.4	174.5	-53.5	0	0	0	0	109.3	H6 I7 A9 G13 I16 F167 M233	H6-T136 PolarHBondContact NE2-OG1 3.48Å; I7-T136 PolarHBondContact O-N 3.34Å; A9-T136 PolarHBondContact N-O 2.94Å; G13-T136 VanDerWaalsContact CA-O 3.23Å; G13-T136 WeakPolarHBondContact CA-O 3.44Å; I16-T136 HydrophobicContact CB-CG2 3.94Å; I16-T136 HydrophobicContact CG2-CG2 3.69Å; T136-F167 HydrophobicContact CG2-CB 4.27Å; T136-M233 HydrophobicContact CG2-CE 4.38Å; T136-M233 VanDerWaalsContact OG1-CE 3.28Å; T136-M233 WeakPolarHBondContact OG1-CE 3.42Å
137	H	98.3	Very high	96.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	175.1	-176.9	74.7	150.8	0	0	0	113	A9 L135 L139 G144 F167 S168 V169	A9-H137 HydrophobicContact CB-CB 4.18Å; L135-H137 HydrophobicContact CD2-CB 3.54Å; L135-H137 VanDerWaalsContact CD2-CD2 3.49Å; L135-H137 WeakPolarHBondContact CD2-CD2 3.48Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.39Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.42Å; H137-G144 WeakPolarHBondContact CB-O 3.28Å; H137-G144 PolarHBondContact ND1-O 3.38Å; H137-F167 PolarHBondContact N-O 2.89Å; H137-F167 VanDerWaalsContact N-O 3.13Å; H137-S168 PolarHBondContact CD2-OG 2.88Å; H137-S168 PolarHBondContact NE2-OG 3.44Å; H137-V169 PolarHBondContact O-N 3.24Å
138	S	96.7	Very high	96.2	Very high	13 Å²	13	14 Å²	14	9%	0.091	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.5	171.4	176.7	0	0	0	0	110.7	G140 G144 S145 V169	S138-G140 VanDerWaalsContact C-N 3.29Å; S138-G140 PolarHBondContact OG-N 2.84Å; S138-G144 CarbonylContact O-C 3.34Å; S138-S145 WeakPolarHBondContact O-CA 3.29Å; S138-S145 PolarHBondContact O-N 3.05Å; S138-V169 WeakPolarHBondContact CA-O 3.36Å; S138-V169 PolarHBondContact OG-O 2.97Å
139	L	96.9	Very high	96.4	Very high	3 Å²	3	7.6 Å²	7.6	2%	0.016	5%	0.052	C	C	.	.	S	Bend	trans	-79.6	-12.4	176.8	-46.7	-173.3	0	0	0	112.6	H137 S145 V169 V170 N184 A185 I189 L192	H137-L139 WeakPolarHBondContact CE1-CD2 3.39Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.42Å; L139-S145 WeakPolarHBondContact O-CB 3.42Å; L139-V169 PolarHBondContact N-O 3.44Å; L139-V170 HydrophobicContact CD1-CG2 4.02Å; L139-N184 CarbonylContact O-C 3.48Å; L139-N184 VanDerWaalsContact O-CB 3.25Å; L139-N184 WeakPolarHBondContact O-CB 3.22Å; L139-A185 HydrophobicContact CB-CB 4.26Å; L139-A185 WeakPolarHBondContact O-CA 3.34Å; L139-A185 PolarHBondContact O-N 2.87Å; L139-A185 VanDerWaalsContact O-N 3.09Å; L139-I189 HydrophobicContact CD1-CG1 4.2Å; L139-L192 HydrophobicContact CD1-CD1 4.08Å; L139-L192 HydrophobicContact CD2-CD1 3.69Å
140	G	92.9	Very high	96.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	-95.3	-28.7	-178.8	0	0	0	0	0	114.9	S138 N184	S138-G140 VanDerWaalsContact C-N 3.29Å; S138-G140 PolarHBondContact OG-N 2.84Å; G140-N184 PolarHBondContact O-ND2 3.03Å
141	G	91.4	Very high	96.7	Very high	19 Å²	19	4.4 Å²	4.4	20%	0.196	3%	0.031	C	C	.	.	S	Bend	trans	-85.2	160.8	-177.3	0	0	0	0	0	113.2	S145	G141-S145 WeakPolarHBondContact O-CB 3.4Å; G141-S145 PolarHBondContact O-N 3.16Å; G141-S145 VanDerWaalsContact O-N 3.08Å; G141-S145 PolarHBondContact O-OG 3.01Å
142	G	92.8	Very high	96.9	Very high	3 Å²	3	3.6 Å²	3.6	3%	0.031	3%	0.027	C	C	.	.	H	α-helix	trans	-68.8	-51.4	-176.2	0	0	0	0	0	113.8	A97 G146	A97-G142 VanDerWaalsContact CB-C 3.49Å; G142-G146 PolarHBondContact O-N 3.35Å
143	T	96.1	Very high	96.9	Very high	13 Å²	13	4.1 Å²	4.1	8%	0.08	3%	0.03	C	C	.	.	I	π-helix	trans	-68.2	-49.4	179	-47.7	0	0	0	0	111.9	D67 L68 S145 M147 G148	D67-T143 PolarHBondContact OD1-OG1 2.68Å; L68-T143 HydrophobicContact CB-CG2 4.31Å; L68-T143 HydrophobicContact CD1-CG2 4.04Å; L68-T143 HydrophobicContact CG-CG2 3.79Å; T143-S145 VanDerWaalsContact C-N 3.31Å; T143-S145 PolarHBondContact O-N 3.48Å; T143-M147 HydrophobicContact CG2-CB 4.24Å; T143-M147 HydrophobicContact CG2-SD 4.46Å; T143-M147 WeakPolarHBondContact O-CA 3.4Å; T143-M147 VanDerWaalsContact O-CB 3.28Å; T143-M147 WeakPolarHBondContact O-CB 3.39Å; T143-M147 PolarHBondContact O-N 3.1Å; T143-M147 VanDerWaalsContact O-N 3.12Å; T143-G148 PolarHBondContact O-N 2.79Å
144	G	95.8	Very high	96.9	Very high	5 Å²	5	7.2 Å²	7.2	5%	0.052	4%	0.044	C	C	.	.	I	π-helix	trans	-62	-39.4	-177.5	0	0	0	0	0	112.4	H137 S138 G148	H137-G144 WeakPolarHBondContact CB-O 3.28Å; H137-G144 PolarHBondContact ND1-O 3.38Å; S138-G144 CarbonylContact O-C 3.34Å; G144-G148 VanDerWaalsContact O-CA 3.28Å; G144-G148 WeakPolarHBondContact O-CA 3.42Å; G144-G148 PolarHBondContact O-N 3.41Å
145	S	97.1	Very high	96.9	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.044	C	C	.	.	I	π-helix	trans	-81.1	-65.6	-177.9	73.3	0	0	0	0	110.1	W101 S138 L139 G141 T143 T149 S188	W101-S145 VanDerWaalsContact CD1-C 3.43Å; S138-S145 WeakPolarHBondContact O-CA 3.29Å; S138-S145 PolarHBondContact O-N 3.05Å; L139-S145 WeakPolarHBondContact O-CB 3.42Å; G141-S145 WeakPolarHBondContact O-CB 3.4Å; G141-S145 PolarHBondContact O-N 3.16Å; G141-S145 VanDerWaalsContact O-N 3.08Å; G141-S145 PolarHBondContact O-OG 3.01Å; T143-S145 VanDerWaalsContact C-N 3.31Å; T143-S145 PolarHBondContact O-N 3.48Å; S145-T149 WeakPolarHBondContact O-CB 3.21Å; S145-T149 WeakPolarHBondContact O-CG2 3.31Å; S145-T149 PolarHBondContact O-N 3.22Å; S145-T149 PolarHBondContact O-OG1 3.47Å; S145-S188 VanDerWaalsContact CA-OG 3.3Å; S145-S188 WeakPolarHBondContact CA-OG 3.27Å; S145-S188 WeakPolarHBondContact CB-OG 3.43Å; S145-S188 PolarHBondContact O-OG 3.19Å
146	G	97.5	Very high	96.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-63.9	-58.4	-174.8	0	0	0	0	0	113.9	W101 G104 H105 G142 T149 L150	W101-G146 VanDerWaalsContact CD1-CA 3.43Å; W101-G146 VanDerWaalsContact CD1-N 3.27Å; W101-G146 WeakPolarHBondContact O-CA 3.36Å; G104-G146 CarbonylContact O-C 3.47Å; H105-G146 PolarHBondContact ND1-O 2.91Å; G142-G146 PolarHBondContact O-N 3.35Å; G146-T149 PolarHBondContact O-OG1 3.49Å; G146-L150 WeakPolarHBondContact O-CB 3.44Å; G146-L150 PolarHBondContact O-N 3.17Å
147	M	97.1	Very high	96.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	I	π-helix	trans	-72.2	-37.8	-179.3	-171.2	176	-177.3	0	0	111.1	V66 L68 G104 L112 V116 T143 T149 L150 L151	V66-M147 HydrophobicContact CG1-CE 3.6Å; V66-M147 HydrophobicContact CG1-SD 3.83Å; L68-M147 HydrophobicContact CD2-SD 3.7Å; L68-M147 HydrophobicContact CG-SD 4.02Å; G104-M147 WeakPolarHBondContact O-CA 3.38Å; G104-M147 VanDerWaalsContact O-CB 3.29Å; G104-M147 WeakPolarHBondContact O-CB 3.25Å; G104-M147 PolarHBondContact O-N 3.08Å; G104-M147 VanDerWaalsContact O-N 3.08Å; L112-M147 HydrophobicContact CB-CE 3.7Å; L112-M147 HydrophobicContact CB-SD 4.46Å; L112-M147 HydrophobicContact CD2-CE 3.88Å; L112-M147 HydrophobicContact CD2-SD 4.19Å; L112-M147 HydrophobicContact CG-CE 3.88Å; V116-M147 HydrophobicContact CG2-CE 3.77Å; T143-M147 HydrophobicContact CG2-CB 4.24Å; T143-M147 HydrophobicContact CG2-SD 4.46Å; T143-M147 WeakPolarHBondContact O-CA 3.4Å; T143-M147 VanDerWaalsContact O-CB 3.28Å; T143-M147 WeakPolarHBondContact O-CB 3.39Å; T143-M147 PolarHBondContact O-N 3.1Å; T143-M147 VanDerWaalsContact O-N 3.12Å; M147-T149 PolarHBondContact O-N 2.83Å; M147-L150 WeakPolarHBondContact O-CB 3.17Å; M147-L150 PolarHBondContact O-N 3.25Å; M147-L151 HydrophobicContact CE-CD1 4.36Å; M147-L151 HydrophobicContact CG-CD1 4.29Å; M147-L151 HydrophobicContact CG-CG 4.41Å; M147-L151 WeakPolarHBondContact O-CB 3.26Å; M147-L151 VanDerWaalsContact O-CG 3.31Å; M147-L151 WeakPolarHBondContact O-CG 3.46Å; M147-L151 PolarHBondContact O-N 3.26Å
148	G	97.9	Very high	96.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.4	-45.4	176.4	0	0	0	0	0	112.2	T143 G144 L151 I152	T143-G148 PolarHBondContact O-N 2.79Å; G144-G148 VanDerWaalsContact O-CA 3.28Å; G144-G148 WeakPolarHBondContact O-CA 3.42Å; G144-G148 PolarHBondContact O-N 3.41Å; G148-L151 PolarHBondContact O-N 3.38Å; G148-I152 WeakPolarHBondContact O-CG1 3.2Å; G148-I152 PolarHBondContact O-N 3.42Å; G148-I152 VanDerWaalsContact O-N 3.07Å
149	T	98.3	Very high	96.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-74.1	-31.5	176.7	58.4	0	0	0	0	113.4	W101 S145 G146 M147 L151 I152 S153 S188 Q191	W101-T149 PolarHBondContact NE1-OG1 3.15Å; S145-T149 WeakPolarHBondContact O-CB 3.21Å; S145-T149 WeakPolarHBondContact O-CG2 3.31Å; S145-T149 PolarHBondContact O-N 3.22Å; S145-T149 PolarHBondContact O-OG1 3.47Å; G146-T149 PolarHBondContact O-OG1 3.49Å; M147-T149 PolarHBondContact O-N 2.83Å; T149-L151 VanDerWaalsContact C-N 3.31Å; T149-L151 PolarHBondContact O-N 3.18Å; T149-I152 HydrophobicContact CG2-CD1 4.43Å; T149-I152 WeakPolarHBondContact O-CB 3.43Å; T149-I152 PolarHBondContact O-N 3.42Å; T149-S153 PolarHBondContact O-N 3.24Å; T149-S153 PolarHBondContact O-OG 3.15Å; T149-S153 VanDerWaalsContact O-OG 3.06Å; T149-S188 WeakPolarHBondContact CG2-OG 3.31Å; T149-Q191 HydrophobicContact CG2-CB 3.92Å
150	L	98.2	Very high	96.8	Very high	16 Å²	16	23.7 Å²	23.7	8%	0.084	12%	0.123	C	C	.	.	H	α-helix	trans	-57.4	-46.5	169.1	178.5	64.2	0	0	0	111.3	H105 V113 G146 M147 I152 S153 K154	H105-L150 WeakPolarHBondContact O-CD2 3.39Å; V113-L150 HydrophobicContact CB-CD2 3.95Å; V113-L150 HydrophobicContact CG1-CD2 4.35Å; V113-L150 HydrophobicContact CG2-CD2 4Å; V113-L150 HydrophobicContact CG2-CG 4.06Å; G146-L150 WeakPolarHBondContact O-CB 3.44Å; G146-L150 PolarHBondContact O-N 3.17Å; M147-L150 WeakPolarHBondContact O-CB 3.17Å; M147-L150 PolarHBondContact O-N 3.25Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 3.49Å; L150-S153 PolarHBondContact O-N 3.17Å; L150-K154 HydrophobicContact CD1-CG 4.28Å; L150-K154 WeakPolarHBondContact O-CG 3.32Å; L150-K154 PolarHBondContact O-N 3.24Å
151	L	98.3	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-41.3	177.7	-74.3	170.4	0	0	0	111.7	I7 V66 V113 V116 L135 M147 G148 T149 K154 V155	I7-L151 HydrophobicContact CG2-CD1 4.46Å; V66-L151 HydrophobicContact CG1-CD1 4.39Å; V66-L151 HydrophobicContact CG2-CD1 4.46Å; V113-L151 HydrophobicContact CG2-CD2 3.83Å; V116-L151 HydrophobicContact CB-CD2 3.77Å; V116-L151 HydrophobicContact CG1-CD1 4.21Å; V116-L151 HydrophobicContact CG1-CD2 3.51Å; V116-L151 HydrophobicContact CG2-CD2 4.37Å; L135-L151 HydrophobicContact CD1-CB 4.49Å; M147-L151 HydrophobicContact CE-CD1 4.36Å; M147-L151 HydrophobicContact CG-CD1 4.29Å; M147-L151 HydrophobicContact CG-CG 4.41Å; M147-L151 WeakPolarHBondContact O-CB 3.26Å; M147-L151 VanDerWaalsContact O-CG 3.31Å; M147-L151 WeakPolarHBondContact O-CG 3.46Å; M147-L151 PolarHBondContact O-N 3.26Å; G148-L151 PolarHBondContact O-N 3.38Å; T149-L151 VanDerWaalsContact C-N 3.31Å; T149-L151 PolarHBondContact O-N 3.18Å; L151-K154 PolarHBondContact O-N 3.01Å; L151-V155 VanDerWaalsContact O-CB 3.3Å; L151-V155 WeakPolarHBondContact O-CB 3.48Å; L151-V155 WeakPolarHBondContact O-CG2 3.19Å; L151-V155 PolarHBondContact O-N 3.1Å
152	I	98.5	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.4	-52.3	175.4	-71.7	170.2	0	0	0	110.3	L135 G148 T149 L150 K154 V155 R156 M164 T166 L192 N195 T196	L135-I152 HydrophobicContact CD1-CD1 4.4Å; L135-I152 HydrophobicContact CD1-CG1 3.8Å; L135-I152 HydrophobicContact CD2-CD1 4.17Å; L135-I152 HydrophobicContact CD2-CG1 4.45Å; G148-I152 WeakPolarHBondContact O-CG1 3.2Å; G148-I152 PolarHBondContact O-N 3.42Å; G148-I152 VanDerWaalsContact O-N 3.07Å; T149-I152 HydrophobicContact CG2-CD1 4.43Å; T149-I152 WeakPolarHBondContact O-CB 3.43Å; T149-I152 PolarHBondContact O-N 3.42Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 3.49Å; I152-K154 PolarHBondContact O-N 2.96Å; I152-V155 PolarHBondContact O-N 3.29Å; I152-R156 VanDerWaalsContact O-CB 3.31Å; I152-R156 WeakPolarHBondContact O-CB 3.47Å; I152-R156 PolarHBondContact O-N 3.42Å; I152-M164 HydrophobicContact CG1-SD 4.3Å; I152-M164 HydrophobicContact CG2-CG 4.08Å; I152-T166 HydrophobicContact CD1-CG2 3.79Å; I152-L192 HydrophobicContact CD1-CD2 3.62Å; I152-N195 HydrophobicContact CG2-CB 3.47Å; I152-N195 VanDerWaalsContact CG2-CB 3.47Å; I152-T196 HydrophobicContact CD1-CG2 4.14Å; I152-T196 HydrophobicContact CG2-CG2 3.79Å
153	S	97.9	Very high	97.4	Very high	11 Å²	11	32.6 Å²	32.6	8%	0.077	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-42.8	-177.8	-47.3	0	0	0	0	111.3	T149 L150 R156 E157 Q191 N195	T149-S153 PolarHBondContact O-N 3.24Å; T149-S153 PolarHBondContact O-OG 3.15Å; T149-S153 VanDerWaalsContact O-OG 3.06Å; L150-S153 PolarHBondContact O-N 3.17Å; S153-R156 WeakPolarHBondContact O-CB 3.22Å; S153-R156 PolarHBondContact O-N 2.99Å; S153-E157 WeakPolarHBondContact O-CG 3.34Å; S153-E157 PolarHBondContact O-N 3.22Å; S153-Q191 PolarHBondContact OG-OE1 2.7Å; S153-N195 PolarHBondContact OG-ND2 2.87Å
154	K	98.2	Very high	97.5	Very high	67 Å²	67	32.1 Å²	32.1	29%	0.291	16%	0.155	S	C	.	.	H	α-helix	trans	-67.7	-39.9	177.4	-67.8	-53.9	-179.9	-158.3	0	114.4	V113 L117 L150 L151 I152 R156 E157 E158	V113-K154 HydrophobicContact CG2-CB 4.49Å; V113-K154 HydrophobicContact CG2-CG 4.09Å; L117-K154 HydrophobicContact CD1-CB 3.86Å; L117-K154 HydrophobicContact CD1-CG 4.29Å; L117-K154 HydrophobicContact CD2-CB 3.94Å; L117-K154 HydrophobicContact CG-CB 4.43Å; L150-K154 HydrophobicContact CD1-CG 4.28Å; L150-K154 WeakPolarHBondContact O-CG 3.32Å; L150-K154 PolarHBondContact O-N 3.24Å; L151-K154 PolarHBondContact O-N 3.01Å; I152-K154 PolarHBondContact O-N 2.96Å; K154-R156 VanDerWaalsContact C-N 3.32Å; K154-E157 WeakPolarHBondContact CD-OE2 3.33Å; K154-E157 VanDerWaalsContact NZ-CD 3.29Å; K154-E157 IonicContact NZ-OE1 2.92Å; K154-E157 PolarHBondContact NZ-OE1 3.02Å; K154-E157 IonicContact NZ-OE2 2.81Å; K154-E157 PolarHBondContact NZ-OE2 3.09Å; K154-E157 PolarHBondContact O-N 3.26Å; K154-E158 PolarHBondContact O-N 2.82Å; K154-E158 VanDerWaalsContact O-N 3.1Å
155	V	98.3	Very high	97.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-67.8	-36.6	174.7	173.4	0	0	0	0	110.5	I7 L117 V120 F133 L151 I152 E158 Y159 M164	I7-V155 HydrophobicContact CD1-CG2 4.37Å; L117-V155 HydrophobicContact CD2-CG2 3.91Å; V120-V155 HydrophobicContact CG1-CG2 4.3Å; V120-V155 HydrophobicContact CG2-CG2 4.5Å; F133-V155 HydrophobicContact CD1-CG1 3.88Å; F133-V155 HydrophobicContact CD2-CG1 3.39Å; F133-V155 HydrophobicContact CE1-CG1 3.83Å; F133-V155 HydrophobicContact CE2-CG1 3.32Å; F133-V155 HydrophobicContact CG-CG1 3.67Å; F133-V155 HydrophobicContact CZ-CG1 3.54Å; L151-V155 VanDerWaalsContact O-CB 3.3Å; L151-V155 WeakPolarHBondContact O-CB 3.48Å; L151-V155 WeakPolarHBondContact O-CG2 3.19Å; L151-V155 PolarHBondContact O-N 3.1Å; I152-V155 PolarHBondContact O-N 3.29Å; V155-E158 PolarHBondContact O-N 3.46Å; V155-Y159 HydrophobicContact CG1-CD2 4.1Å; V155-Y159 WeakPolarHBondContact O-CB 3.3Å; V155-Y159 PolarHBondContact O-N 3.15Å; V155-M164 HydrophobicContact CB-CE 3.71Å; V155-M164 HydrophobicContact CG1-CE 3.44Å; V155-M164 VanDerWaalsContact CG1-CE 3.44Å
156	R	97.4	Very high	97.7	Very high	41 Å²	41	31.9 Å²	31.9	16%	0.155	15%	0.153	C	C	.	.	H	α-helix	trans	-63.2	-41.5	173.5	178.5	61.6	67.8	171.2	11.6	112	I152 S153 K154 Y159 P160 R162 M164 N195 D197	I152-R156 VanDerWaalsContact O-CB 3.31Å; I152-R156 WeakPolarHBondContact O-CB 3.47Å; I152-R156 PolarHBondContact O-N 3.42Å; S153-R156 WeakPolarHBondContact O-CB 3.22Å; S153-R156 PolarHBondContact O-N 2.99Å; K154-R156 VanDerWaalsContact C-N 3.32Å; R156-Y159 CarbonylContact O-C 3.46Å; R156-P160 PolarHBondContact NH1-O 3.17Å; R156-P160 VanDerWaalsContact O-CA 3.22Å; R156-P160 WeakPolarHBondContact O-CA 3.42Å; R156-P160 VanDerWaalsContact O-N 3.1Å; R156-R162 PolarHBondContact NH1-O 3.38Å; R156-M164 VanDerWaalsContact NH2-CB 3.29Å; R156-N195 PolarHBondContact NE-O 2.84Å; R156-N195 PolarHBondContact NH2-O 2.97Å; R156-D197 IonicContact CZ-OD1 3.57Å; R156-D197 IonicContact CZ-OD2 3.27Å; R156-D197 IonicContact NH1-OD1 2.96Å; R156-D197 IonicContact NH1-OD2 2.76Å; R156-D197 PolarHBondContact NH1-OD2 3.4Å; R156-D197 IonicContact NH2-OD1 2.56Å; R156-D197 PolarHBondContact NH2-OD1 3.3Å; R156-D197 IonicContact NH2-OD2 3.55Å; R156-D197 PolarHBondContact NH2-OD2 2.78Å
157	E	97.4	Very high	97.7	Very high	124 Å²	124	32 Å²	32	58%	0.579	15%	0.153	S	C	*	.	H	α-helix	trans	-60.1	-44.6	174.7	-74.5	170.8	-153.9	0	0	111.9	S153 K154	S153-E157 WeakPolarHBondContact O-CG 3.34Å; S153-E157 PolarHBondContact O-N 3.22Å; K154-E157 WeakPolarHBondContact CD-OE2 3.33Å; K154-E157 VanDerWaalsContact NZ-CD 3.29Å; K154-E157 IonicContact NZ-OE1 2.92Å; K154-E157 PolarHBondContact NZ-OE1 3.02Å; K154-E157 IonicContact NZ-OE2 2.81Å; K154-E157 PolarHBondContact NZ-OE2 3.09Å; K154-E157 PolarHBondContact O-N 3.26Å
158	E	97.7	Very high	97.8	Very high	78 Å²	78	32 Å²	32	36%	0.364	15%	0.153	S	C	.	.	H	α-helix	trans	-78	-29.3	-179.7	-71.6	-164.1	-152.6	0	0	113.7	R121 K154 V155 P160	R121-E158 IonicContact CZ-OE2 3.57Å; R121-E158 IonicContact NE-OE2 3.94Å; R121-E158 VanDerWaalsContact NH2-CD 3.32Å; R121-E158 IonicContact NH2-OE1 2.87Å; R121-E158 PolarHBondContact NH2-OE1 2.82Å; R121-E158 IonicContact NH2-OE2 3.63Å; R121-E158 PolarHBondContact NH2-OE2 3.22Å; K154-E158 PolarHBondContact O-N 2.82Å; K154-E158 VanDerWaalsContact O-N 3.1Å; V155-E158 PolarHBondContact O-N 3.46Å; E158-P160 VanDerWaalsContact C-CD 3.49Å
159	Y	97.7	Very high	97.7	Very high	43 Å²	43	32 Å²	32	17%	0.169	15%	0.153	C	C	.	.			trans	-131.7	58.9	-174.4	-57.6	-83.8	0	0	0	112.5	V120 C124 L130 F133 V155 R156 D161 R162	V120-Y159 HydrophobicContact CG1-CE2 4.12Å; C124-Y159 HydrophobicContact CB-CE1 4.14Å; L130-Y159 HydrophobicContact CD2-CD1 4.22Å; L130-Y159 HydrophobicContact CD2-CE1 4.41Å; F133-Y159 AromaticContact CE2-CD2 3.93Å; F133-Y159 HydrophobicContact CE2-CD2 3.93Å; F133-Y159 AromaticContact CE2-CG 3.83Å; F133-Y159 HydrophobicContact CE2-CG 3.83Å; F133-Y159 HydrophobicContact CZ-CD1 4.31Å; F133-Y159 AromaticContact CZ-CD2 3.54Å; F133-Y159 HydrophobicContact CZ-CD2 3.54Å; F133-Y159 AromaticContact CZ-CE2 3.96Å; F133-Y159 HydrophobicContact CZ-CE2 3.96Å; F133-Y159 AromaticContact CZ-CG 3.73Å; F133-Y159 HydrophobicContact CZ-CG 3.73Å; V155-Y159 HydrophobicContact CG1-CD2 4.1Å; V155-Y159 WeakPolarHBondContact O-CB 3.3Å; V155-Y159 PolarHBondContact O-N 3.15Å; R156-Y159 CarbonylContact O-C 3.46Å; Y159-D161 VanDerWaalsContact C-N 3.26Å; Y159-D161 PolarHBondContact O-N 3.43Å; Y159-R162 WeakPolarHBondContact O-CB 3.28Å; Y159-R162 PolarHBondContact O-N 3.38Å
160	P	96.7	Very high	97.6	Very high	76 Å²	76	32 Å²	32	49%	0.494	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-35	-172	23.4	-34.5	0	0	0	113.1	R156 E158 R162	R156-P160 PolarHBondContact NH1-O 3.17Å; R156-P160 VanDerWaalsContact O-CA 3.22Å; R156-P160 WeakPolarHBondContact O-CA 3.42Å; R156-P160 VanDerWaalsContact O-N 3.1Å; E158-P160 VanDerWaalsContact C-CD 3.49Å; P160-R162 PolarHBondContact O-N 3.27Å
161	D	95.5	Very high	97.3	Very high	117 Å²	117	31.7 Å²	31.7	63%	0.626	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	6.4	-179.3	-61.2	-38.6	0	0	0	114	Y159 R251	Y159-D161 VanDerWaalsContact C-N 3.26Å; Y159-D161 PolarHBondContact O-N 3.43Å; D161-R251 PolarHBondContact O-NH2 3.06Å
162	R	96.8	Very high	96.5	Very high	89 Å²	89	31.7 Å²	31.7	34%	0.336	15%	0.152	S	C	.	.	S	Bend	trans	-110.1	144.1	-177	-63.8	-60.9	179.6	-76.4	-5.7	110.8	L130 F133 R156 Y159 P160 M164	L130-R162 HydrophobicContact CD2-CG 4.07Å; L130-R162 HydrophobicContact CG-CG 4.43Å; L130-R162 WeakPolarHBondContact O-CD 3.3Å; L130-R162 PolarHBondContact O-NE 2.99Å; F133-R162 HydrophobicContact CD2-CB 4.41Å; F133-R162 HydrophobicContact CE2-CB 4.03Å; R156-R162 PolarHBondContact NH1-O 3.38Å; Y159-R162 WeakPolarHBondContact O-CB 3.28Å; Y159-R162 PolarHBondContact O-N 3.38Å; P160-R162 PolarHBondContact O-N 3.27Å; R162-M164 PolarHBondContact O-N 2.81Å
163	I	97.2	Very high	95.3	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.5	-179.1	-63.1	-64.3	0	0	0	109.5	Q131 G132 F133 D197 L250 R251 A254	Q131-I163 PolarHBondContact O-N 2.94Å; Q131-I163 VanDerWaalsContact O-N 3.14Å; G132-I163 CarbonylContact C-O 3.54Å; G132-I163 WeakPolarHBondContact CA-O 3.47Å; F133-I163 PolarHBondContact N-O 3.44Å; I163-D197 VanDerWaalsContact CA-OD2 3.24Å; I163-D197 WeakPolarHBondContact CA-OD2 3.31Å; I163-D197 HydrophobicContact CD1-CB 4.15Å; I163-D197 HydrophobicContact CG2-CB 4.17Å; I163-L250 HydrophobicContact CB-CB 4.02Å; I163-L250 HydrophobicContact CB-CD1 4.34Å; I163-L250 HydrophobicContact CG1-CB 4.13Å; I163-L250 HydrophobicContact CG2-CB 3.88Å; I163-L250 HydrophobicContact CG2-CD1 4.23Å; I163-R251 HydrophobicContact CD1-CB 4.28Å; I163-R251 HydrophobicContact CD1-CG 4.47Å; I163-R251 HydrophobicContact CG1-CB 4.11Å; I163-A254 HydrophobicContact CD1-CB 4.44Å
164	M	98.3	Very high	94.1	Very high	2 Å²	2	42 Å²	42	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	105.2	168.5	-178.4	61.7	67.1	0	0	109	F133 I152 V155 R156 R162 T166 T196 D197 E198	F133-M164 HydrophobicContact CB-CE 3.86Å; F133-M164 HydrophobicContact CB-SD 3.82Å; F133-M164 HydrophobicContact CD2-CE 4.05Å; F133-M164 HydrophobicContact CG-CE 4.12Å; I152-M164 HydrophobicContact CG1-SD 4.3Å; I152-M164 HydrophobicContact CG2-CG 4.08Å; V155-M164 HydrophobicContact CB-CE 3.71Å; V155-M164 HydrophobicContact CG1-CE 3.44Å; V155-M164 VanDerWaalsContact CG1-CE 3.44Å; R156-M164 VanDerWaalsContact NH2-CB 3.29Å; R162-M164 PolarHBondContact O-N 2.81Å; M164-T166 HydrophobicContact CG-CG2 4.45Å; M164-T196 HydrophobicContact CG-CG2 3.88Å; M164-D197 PolarHBondContact N-OD2 3.43Å; M164-D197 PolarHBondContact O-N 3.09Å; M164-E198 PolarHBondContact O-N 3.01Å
165	N	97.5	Very high	93.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.2	176.1	173.2	20.4	0	0	0	109.9	F133 Q134 L135 E198 Y200	F133-N165 WeakPolarHBondContact O-CB 3.24Å; F133-N165 PolarHBondContact O-N 3.08Å; Q134-N165 CarbonylContact C-O 3.54Å; Q134-N165 VanDerWaalsContact CA-O 3.25Å; Q134-N165 WeakPolarHBondContact CA-O 3.22Å; L135-N165 PolarHBondContact N-O 3.48Å; N165-E198 CarbonylContact C-O 3.56Å; N165-E198 WeakPolarHBondContact CA-O 3.41Å; N165-E198 HydrophobicContact CB-CB 4.24Å; N165-E198 PolarHBondContact OD1-O 3.3Å; N165-Y200 WeakPolarHBondContact OD1-CD2 3.18Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.21Å
166	T	98.5	Very high	92.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142	178.2	71	0	0	0	0	113.4	L135 I152 M164 S168 L192 T196 E198 T199 Y200	L135-T166 HydrophobicContact CB-CG2 4.33Å; L135-T166 CarbonylContact O-C 3.52Å; L135-T166 VanDerWaalsContact O-CA 3.24Å; L135-T166 WeakPolarHBondContact O-CA 3.31Å; I152-T166 HydrophobicContact CD1-CG2 3.79Å; M164-T166 HydrophobicContact CG-CG2 4.45Å; T166-S168 WeakPolarHBondContact CB-OG 3.44Å; T166-S168 PolarHBondContact OG1-OG 3.5Å; T166-L192 HydrophobicContact CG2-CD2 4.02Å; T166-T196 HydrophobicContact CG2-CG2 3.59Å; T166-E198 PolarHBondContact N-O 3.02Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.33Å; T166-T199 PolarHBondContact OG1-OG1 3.24Å; T166-T199 VanDerWaalsContact OG1-OG1 3.06Å; T166-Y200 WeakPolarHBondContact O-CB 3.12Å; T166-Y200 WeakPolarHBondContact O-CD2 3.45Å; T166-Y200 PolarHBondContact O-N 2.88Å
167	F	98.5	Very high	91.4	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	102	164.6	-72.6	-92.5	0	0	0	107.5	Q134 L135 T136 H137 Y200 I202 M233 V236	Q134-F167 HydrophobicContact CG-CD2 3.87Å; Q134-F167 HydrophobicContact CG-CE2 3.87Å; Q134-F167 VanDerWaalsContact NE2-CD2 3.31Å; L135-F167 PolarHBondContact O-N 3.02Å; T136-F167 HydrophobicContact CG2-CB 4.27Å; H137-F167 PolarHBondContact N-O 2.89Å; H137-F167 VanDerWaalsContact N-O 3.13Å; F167-Y200 HydrophobicContact CD1-CD2 4.39Å; F167-Y200 HydrophobicContact CD1-CG 4.07Å; F167-Y200 HydrophobicContact CE1-CD1 4.17Å; F167-Y200 AromaticContact CE1-CD2 4Å; F167-Y200 HydrophobicContact CE1-CD2 4Å; F167-Y200 AromaticContact CE1-CG 3.72Å; F167-Y200 HydrophobicContact CE1-CG 3.72Å; F167-Y200 HydrophobicContact CE2-CD2 4.06Å; F167-Y200 HydrophobicContact CE2-CE2 4.47Å; F167-Y200 AromaticContact CZ-CD2 3.83Å; F167-Y200 HydrophobicContact CZ-CD2 3.83Å; F167-Y200 HydrophobicContact CZ-CE2 4.2Å; F167-Y200 HydrophobicContact CZ-CG 4.03Å; F167-I202 HydrophobicContact CB-CD1 3.99Å; F167-I202 HydrophobicContact CD1-CD1 3.91Å; F167-I202 HydrophobicContact CG-CD1 4.46Å; F167-M233 HydrophobicContact CD1-CG 3.44Å; F167-M233 VanDerWaalsContact CD1-CG 3.44Å; F167-M233 HydrophobicContact CD1-SD 4.4Å; F167-M233 HydrophobicContact CD2-CE 4.17Å; F167-M233 HydrophobicContact CD2-CG 4.34Å; F167-M233 HydrophobicContact CE1-CB 4.21Å; F167-M233 HydrophobicContact CE1-CG 3.53Å; F167-M233 HydrophobicContact CE2-CG 4.46Å; F167-M233 HydrophobicContact CG-CE 4.19Å; F167-M233 HydrophobicContact CG-CG 3.85Å; F167-M233 HydrophobicContact CG-SD 4.32Å; F167-M233 HydrophobicContact CZ-CB 4.41Å; F167-M233 HydrophobicContact CZ-CG 4.05Å; F167-V236 HydrophobicContact CE1-CB 4.49Å; F167-V236 HydrophobicContact CE1-CG2 4.37Å; F167-V236 HydrophobicContact CZ-CB 4.14Å; F167-V236 HydrophobicContact CZ-CG1 3.92Å; F167-V236 HydrophobicContact CZ-CG2 4.47Å
168	S	98.4	Very high	90.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	106	-161	-66.7	0	0	0	0	110.1	H137 T166 V170 Y200 I202	H137-S168 PolarHBondContact CD2-OG 2.88Å; H137-S168 PolarHBondContact NE2-OG 3.44Å; T166-S168 WeakPolarHBondContact CB-OG 3.44Å; T166-S168 PolarHBondContact OG1-OG 3.5Å; S168-V170 PolarHBondContact O-N 3.38Å; S168-Y200 PolarHBondContact N-O 2.77Å; S168-I202 PolarHBondContact O-N 3.31Å
169	V	97.4	Very high	90.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	108.1	180	-178	0	0	0	0	110.1	I16 H137 S138 L139 I202 N204	I16-V169 HydrophobicContact CD1-CG2 3.47Å; I16-V169 VanDerWaalsContact CD1-CG2 3.47Å; H137-V169 PolarHBondContact O-N 3.24Å; S138-V169 WeakPolarHBondContact CA-O 3.36Å; S138-V169 PolarHBondContact OG-O 2.97Å; L139-V169 PolarHBondContact N-O 3.44Å; V169-I202 CarbonylContact C-O 3.54Å; V169-I202 WeakPolarHBondContact CA-O 3.21Å; V169-I202 HydrophobicContact CG2-CB 4.34Å; V169-I202 HydrophobicContact CG2-CG2 4.22Å; V169-N204 WeakPolarHBondContact CG1-ND2 3.31Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.33Å
170	V	95.6	Very high	90.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.1	178.8	-173.6	0	0	0	0	109.5	L139 S168 C201 I202 N204 L377 I381	L139-V170 HydrophobicContact CD1-CG2 4.02Å; S168-V170 PolarHBondContact O-N 3.38Å; V170-C201 HydrophobicContact CG2-CB 4.42Å; V170-I202 PolarHBondContact N-O 3.11Å; V170-N204 PolarHBondContact O-N 2.92Å; V170-L377 HydrophobicContact CB-CD1 4.34Å; V170-L377 HydrophobicContact CG1-CD1 4.12Å; V170-L377 HydrophobicContact CG1-CD2 3.94Å; V170-L377 HydrophobicContact CG1-CG 4.12Å; V170-L377 HydrophobicContact CG2-CD1 4.04Å; V170-L377 HydrophobicContact CG2-CD2 4.22Å; V170-I381 HydrophobicContact CG1-CD1 3.76Å
171	P	91.7	Very high	90.3	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.065	20%	0.204	C	C	.	.			trans	-68.5	160.9	179.6	25.9	-32.8	0	0	0	113	E181 A185	P171-E181 HydrophobicContact CB-CB 3.79Å; P171-E181 VanDerWaalsContact CB-CD 3.45Å; P171-E181 HydrophobicContact CB-CG 3.94Å; P171-E181 VanDerWaalsContact CB-OE2 3.24Å; P171-E181 WeakPolarHBondContact CB-OE2 3.39Å; P171-E181 HydrophobicContact CG-CB 4.01Å; P171-A185 HydrophobicContact CG-CB 3.79Å
172	S	82.3	Confident	90.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.			trans	-143.6	129.5	169.5	176.3	0	0	0	0	110.6	K174 V175 S176 E205	S172-K174 PolarHBondContact O-N 2.76Å; S172-K174 PolarHBondContact OG-N 2.56Å; S172-V175 PolarHBondContact O-N 2.77Å; S172-S176 PolarHBondContact O-N 3.13Å; S172-E205 WeakPolarHBondContact OG-CB 3.3Å; S172-E205 PolarHBondContact OG-OE2 3.3Å; S172-E205 VanDerWaalsContact OG-OE2 3.13Å
173	P	72	Confident	90.3	Very high	75 Å²	75	29.4 Å²	29.4	49%	0.487	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10	177.8	29.7	-37.3	0	0	0	113.2	V175	P173-V175 VanDerWaalsContact C-N 3.35Å
174	K	74	Confident	90.3	Very high	154 Å²	154	29.2 Å²	29.2	67%	0.67	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-17.8	173.6	-66.6	-177.6	-176.5	166.4	0	112.9	S172 E205	S172-K174 PolarHBondContact O-N 2.76Å; S172-K174 PolarHBondContact OG-N 2.56Å; K174-E205 HydrophobicContact CD-CG 4.18Å; K174-E205 WeakPolarHBondContact CD-OE1 3.41Å; K174-E205 WeakPolarHBondContact CE-OE1 3.29Å; K174-E205 IonicContact NZ-OE1 2.86Å; K174-E205 PolarHBondContact NZ-OE1 3Å
175	V	75.4	Confident	90.3	Very high	37 Å²	37	29.1 Å²	29.1	22%	0.224	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-27.7	-172	-172.8	0	0	0	0	111.7	S172 P173 N204 Y208 Y222	S172-V175 PolarHBondContact O-N 2.77Å; P173-V175 VanDerWaalsContact C-N 3.35Å; V175-N204 HydrophobicContact CB-CB 4.33Å; V175-N204 HydrophobicContact CG1-CB 4.35Å; V175-N204 HydrophobicContact CG2-CB 4.35Å; V175-Y208 HydrophobicContact CG2-CG 4.4Å; V175-Y222 HydrophobicContact CG1-CE1 4.42Å
176	S	80	Confident	90.3	Very high	22 Å²	22	29.1 Å²	29.1	15%	0.154	16%	0.16	C	C	.	.			trans	-118.4	143.2	-177.8	-175.1	0	0	0	0	112.5	S172 T178 E181	S172-S176 PolarHBondContact O-N 3.13Å; S176-T178 VanDerWaalsContact C-N 3.35Å; S176-T178 PolarHBondContact OG-N 3.37Å; S176-T178 PolarHBondContact OG-OG1 2.84Å; S176-E181 WeakPolarHBondContact CB-OE1 3.26Å; S176-E181 WeakPolarHBondContact CB-OE2 3.41Å; S176-E181 VanDerWaalsContact OG-CD 3.25Å; S176-E181 PolarHBondContact OG-OE1 3.34Å
177	D	80.5	Confident	90.3	Very high	165 Å²	165	29.3 Å²	29.3	88%	0.882	16%	0.161	S	C	*	.			trans	-89.9	0.1	174.2	-66.2	-41.4	0	0	0	112.7	V179	D177-V179 PolarHBondContact O-N 2.98Å
178	T	87	Confident	90.3	Very high	34 Å²	34	29.3 Å²	29.3	21%	0.209	16%	0.161	C	C	.	.			trans	-75.8	111.5	-175.7	-60.4	0	0	0	0	110.8	N99 S176 V180 E181	N99-T178 HydrophobicContact CB-CG2 3.67Å; N99-T178 PolarHBondContact ND2-OG1 3.09Å; S176-T178 VanDerWaalsContact C-N 3.35Å; S176-T178 PolarHBondContact OG-N 3.37Å; S176-T178 PolarHBondContact OG-OG1 2.84Å; T178-V180 VanDerWaalsContact C-N 3.32Å; T178-V180 HydrophobicContact CG2-CG2 4.08Å; T178-V180 PolarHBondContact O-N 3.45Å; T178-E181 HydrophobicContact CG2-CG 3.78Å; T178-E181 WeakPolarHBondContact O-CG 3.43Å
179	V	89.9	Confident	90.3	Very high	81 Å²	81	29.3 Å²	29.3	49%	0.491	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-22	-172.4	-59.4	0	0	0	0	114.8	D177 M388 F394	D177-V179 PolarHBondContact O-N 2.98Å; V179-M388 WeakPolarHBondContact O-CE 3.48Å; V179-M388 VanDerWaalsContact O-SD 3.36Å; V179-F394 HydrophobicContact CB-CE2 4.28Å; V179-F394 HydrophobicContact CG2-CD2 4.27Å; V179-F394 HydrophobicContact CG2-CE1 4.27Å; V179-F394 HydrophobicContact CG2-CE2 3.75Å; V179-F394 HydrophobicContact CG2-CZ 3.76Å
180	V	94.8	Very high	90.3	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.03	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	5.7	-174.9	-58.4	0	0	0	0	114.3	N99 T178 P182 Y183 N184 F394 W397 Y398	N99-V180 HydrophobicContact CB-CG2 4.44Å; N99-V180 WeakPolarHBondContact O-CG2 3.48Å; T178-V180 VanDerWaalsContact C-N 3.32Å; T178-V180 HydrophobicContact CG2-CG2 4.08Å; T178-V180 PolarHBondContact O-N 3.45Å; V180-P182 VanDerWaalsContact C-N 3.31Å; V180-Y183 PolarHBondContact O-N 2.81Å; V180-Y183 VanDerWaalsContact O-N 3.14Å; V180-N184 PolarHBondContact O-N 2.83Å; V180-F394 HydrophobicContact CG1-CB 3.9Å; V180-F394 HydrophobicContact CG1-CD2 4.17Å; V180-F394 HydrophobicContact CG1-CG 4.01Å; V180-W397 HydrophobicContact CG1-CE3 4.2Å; V180-W397 HydrophobicContact CG1-CZ3 4.29Å; V180-Y398 HydrophobicContact CB-CE2 4.35Å; V180-Y398 WeakPolarHBondContact CB-OH 3.23Å; V180-Y398 HydrophobicContact CG1-CE2 4.43Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.5Å; V180-Y398 PolarHBondContact O-OH 2.86Å
181	E	95.1	Very high	90.4	Very high	17 Å²	17	33 Å²	33	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-52.3	-38.6	177.8	-74.2	-178.4	160.4	0	0	114.6	P171 S176 T178 Y183 N184 A185	P171-E181 HydrophobicContact CB-CB 3.79Å; P171-E181 VanDerWaalsContact CB-CD 3.45Å; P171-E181 HydrophobicContact CB-CG 3.94Å; P171-E181 VanDerWaalsContact CB-OE2 3.24Å; P171-E181 WeakPolarHBondContact CB-OE2 3.39Å; P171-E181 HydrophobicContact CG-CB 4.01Å; S176-E181 WeakPolarHBondContact CB-OE1 3.26Å; S176-E181 WeakPolarHBondContact CB-OE2 3.41Å; S176-E181 VanDerWaalsContact OG-CD 3.25Å; S176-E181 PolarHBondContact OG-OE1 3.34Å; T178-E181 HydrophobicContact CG2-CG 3.78Å; T178-E181 WeakPolarHBondContact O-CG 3.43Å; E181-Y183 VanDerWaalsContact C-N 3.3Å; E181-Y183 PolarHBondContact O-N 2.8Å; E181-N184 PolarHBondContact O-N 2.71Å; E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.44Å; E181-A185 PolarHBondContact O-N 2.79Å
182	P	95.5	Very high	90.7	Very high	10 Å²	10	32.6 Å²	32.6	7%	0.065	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-36.6	179.2	-26.3	37	0	0	0	113.5	V180 T186 Q384 F385 M388	V180-P182 VanDerWaalsContact C-N 3.31Å; P182-T186 WeakPolarHBondContact O-CB 3.01Å; P182-T186 PolarHBondContact O-N 2.76Å; P182-T186 PolarHBondContact O-OG1 3.04Å; P182-Q384 HydrophobicContact CB-CB 3.85Å; P182-Q384 HydrophobicContact CG-CB 3.69Å; P182-F385 HydrophobicContact CB-CB 4.38Å; P182-M388 HydrophobicContact CB-SD 4.13Å; P182-M388 HydrophobicContact CG-SD 3.78Å
183	Y	97.5	Very high	91.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-50.2	174.2	-69.5	-31.6	0	0	0	111.2	V180 E181 A185 T186 L187 F385 M388 F389 A393 L395 Y398 F408	V180-Y183 PolarHBondContact O-N 2.81Å; V180-Y183 VanDerWaalsContact O-N 3.14Å; E181-Y183 VanDerWaalsContact C-N 3.3Å; E181-Y183 PolarHBondContact O-N 2.8Å; Y183-A185 VanDerWaalsContact C-N 3.29Å; Y183-A185 PolarHBondContact O-N 3.35Å; Y183-T186 PolarHBondContact O-N 3.21Å; Y183-L187 WeakPolarHBondContact O-CB 3.42Å; Y183-L187 VanDerWaalsContact O-CG 3.27Å; Y183-L187 WeakPolarHBondContact O-CG 3.43Å; Y183-L187 PolarHBondContact O-N 2.95Å; Y183-F385 AromaticContact CD1-CD2 3.47Å; Y183-F385 HydrophobicContact CD1-CD2 3.47Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.47Å; Y183-F385 AromaticContact CD1-CE2 3.5Å; Y183-F385 HydrophobicContact CD1-CE2 3.5Å; Y183-F385 HydrophobicContact CD1-CG 4.36Å; Y183-F385 HydrophobicContact CD1-CZ 4.38Å; Y183-F385 HydrophobicContact CE1-CD2 4.04Å; Y183-F385 HydrophobicContact CE1-CE2 4.01Å; Y183-F385 HydrophobicContact CE1-CZ 4.49Å; Y183-M388 HydrophobicContact CD2-CE 4.14Å; Y183-M388 HydrophobicContact CE1-CB 4.02Å; Y183-M388 HydrophobicContact CE2-CB 4.49Å; Y183-M388 HydrophobicContact CE2-CE 3.83Å; Y183-M388 PolarHBondContact OH-O 3.13Å; Y183-F389 HydrophobicContact CE1-CB 4.09Å; Y183-F389 HydrophobicContact CE1-CD2 4.19Å; Y183-F389 WeakPolarHBondContact OH-CA 3.41Å; Y183-F389 PolarHBondContact OH-N 3.48Å; Y183-A393 WeakPolarHBondContact CE2-O 3.13Å; Y183-A393 PolarHBondContact OH-O 3.17Å; Y183-L395 HydrophobicContact CE1-CD2 4.15Å; Y183-L395 HydrophobicContact CE2-CD2 3.86Å; Y183-L395 WeakPolarHBondContact OH-CD2 3.28Å; Y183-Y398 HydrophobicContact CD2-CD2 4.37Å; Y183-Y398 AromaticContact CD2-CE2 3.7Å; Y183-Y398 HydrophobicContact CD2-CE2 3.7Å; Y183-Y398 HydrophobicContact CG-CE2 4.46Å; Y183-F408 HydrophobicContact CD1-CD1 4.07Å; Y183-F408 AromaticContact CD1-CE1 3.81Å; Y183-F408 HydrophobicContact CD1-CE1 3.81Å; Y183-F408 HydrophobicContact CD2-CE1 4.26Å; Y183-F408 HydrophobicContact CE1-CD1 4.41Å; Y183-F408 HydrophobicContact CE1-CE1 4.31Å; Y183-F408 AromaticContact CG-CE1 3.8Å; Y183-F408 HydrophobicContact CG-CE1 3.8Å
184	N	97.6	Very high	92.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.7	-44.5	179.4	-65.3	-12.9	0	0	0	111.5	N99 W101 L139 G140 V180 E181 S188 Y398	N99-N184 PolarHBondContact O-ND2 2.73Å; W101-N184 HydrophobicContact CB-CB 4.2Å; W101-N184 WeakPolarHBondContact CB-OD1 3.17Å; W101-N184 PolarHBondContact N-OD1 2.84Å; L139-N184 CarbonylContact O-C 3.48Å; L139-N184 VanDerWaalsContact O-CB 3.25Å; L139-N184 WeakPolarHBondContact O-CB 3.22Å; G140-N184 PolarHBondContact O-ND2 3.03Å; V180-N184 PolarHBondContact O-N 2.83Å; E181-N184 PolarHBondContact O-N 2.71Å; N184-S188 WeakPolarHBondContact O-CB 3.45Å; N184-S188 PolarHBondContact O-N 3.35Å; N184-S188 PolarHBondContact O-OG 2.84Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.23Å; N184-Y398 PolarHBondContact OD1-OH 2.87Å
185	A	97.2	Very high	93.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.1	-42.3	-178.9	0	0	0	0	0	112.1	L139 P171 E181 Y183 S188 I189 I381	L139-A185 HydrophobicContact CB-CB 4.26Å; L139-A185 WeakPolarHBondContact O-CA 3.34Å; L139-A185 PolarHBondContact O-N 2.87Å; L139-A185 VanDerWaalsContact O-N 3.09Å; P171-A185 HydrophobicContact CG-CB 3.79Å; E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.44Å; E181-A185 PolarHBondContact O-N 2.79Å; Y183-A185 VanDerWaalsContact C-N 3.29Å; Y183-A185 PolarHBondContact O-N 3.35Å; A185-S188 PolarHBondContact O-N 3.45Å; A185-I189 WeakPolarHBondContact O-CB 3.41Å; A185-I189 WeakPolarHBondContact O-CD1 3.32Å; A185-I189 WeakPolarHBondContact O-CG1 3.42Å; A185-I189 PolarHBondContact O-N 3.23Å; A185-I381 HydrophobicContact CB-CD1 4.25Å; A185-I381 HydrophobicContact CB-CG2 3.93Å
186	T	97.8	Very high	94.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-47.7	178.1	-59.3	0	0	0	0	111.3	P182 Y183 S188 I189 H190 I381 F385 A411 M415	P182-T186 WeakPolarHBondContact O-CB 3.01Å; P182-T186 PolarHBondContact O-N 2.76Å; P182-T186 PolarHBondContact O-OG1 3.04Å; Y183-T186 PolarHBondContact O-N 3.21Å; T186-S188 VanDerWaalsContact C-N 3.34Å; T186-S188 PolarHBondContact O-N 2.98Å; T186-I189 PolarHBondContact O-N 3.3Å; T186-H190 PolarHBondContact O-N 2.74Å; T186-I381 WeakPolarHBondContact OG1-CG2 3.39Å; T186-F385 HydrophobicContact CG2-CD2 3.7Å; T186-F385 HydrophobicContact CG2-CE2 3.73Å; T186-F385 HydrophobicContact CG2-CG 4.25Å; T186-F385 HydrophobicContact CG2-CZ 4.34Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.43Å; T186-A411 HydrophobicContact CG2-CB 4Å; T186-M415 HydrophobicContact CG2-CE 3.68Å
187	L	98.4	Very high	95.7	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-38.7	178	-64.8	168	0	0	0	111.9	W101 Y183 Q191 Y398 M403 F408 A411	W101-L187 HydrophobicContact CB-CD1 4.27Å; W101-L187 HydrophobicContact CD2-CB 3.81Å; W101-L187 HydrophobicContact CD2-CD1 3.86Å; W101-L187 HydrophobicContact CD2-CG 4.45Å; W101-L187 HydrophobicContact CE3-CB 4.25Å; W101-L187 HydrophobicContact CE3-CD1 3.68Å; W101-L187 HydrophobicContact CE3-CG 4.48Å; W101-L187 HydrophobicContact CG-CB 4.07Å; W101-L187 HydrophobicContact CG-CD1 4.11Å; W101-L187 HydrophobicContact CZ2-CB 4.22Å; W101-L187 HydrophobicContact CZ3-CD1 4.32Å; Y183-L187 WeakPolarHBondContact O-CB 3.42Å; Y183-L187 VanDerWaalsContact O-CG 3.27Å; Y183-L187 WeakPolarHBondContact O-CG 3.43Å; Y183-L187 PolarHBondContact O-N 2.95Å; L187-Q191 PolarHBondContact O-N 3.45Å; L187-Y398 HydrophobicContact CD1-CD1 4.17Å; L187-Y398 HydrophobicContact CD1-CE1 4.1Å; L187-M403 HydrophobicContact CD1-CE 3.63Å; L187-M403 HydrophobicContact CD1-SD 4.04Å; L187-M403 HydrophobicContact CD2-CE 3.36Å; L187-M403 HydrophobicContact CG-CE 4.13Å; L187-F408 HydrophobicContact CD1-CE1 4.06Å; L187-F408 HydrophobicContact CD1-CZ 4.35Å; L187-A411 HydrophobicContact CD2-CB 3.81Å
188	S	98.4	Very high	96.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.5	-41.8	175.5	-76.1	0	0	0	0	113.2	W101 S145 T149 N184 A185 T186 H190 Q191 L192	W101-S188 PolarHBondContact NE1-OG 2.97Å; S145-S188 VanDerWaalsContact CA-OG 3.3Å; S145-S188 WeakPolarHBondContact CA-OG 3.27Å; S145-S188 WeakPolarHBondContact CB-OG 3.43Å; S145-S188 PolarHBondContact O-OG 3.19Å; T149-S188 WeakPolarHBondContact CG2-OG 3.31Å; N184-S188 WeakPolarHBondContact O-CB 3.45Å; N184-S188 PolarHBondContact O-N 3.35Å; N184-S188 PolarHBondContact O-OG 2.84Å; A185-S188 PolarHBondContact O-N 3.45Å; T186-S188 VanDerWaalsContact C-N 3.34Å; T186-S188 PolarHBondContact O-N 2.98Å; S188-H190 VanDerWaalsContact C-N 3.27Å; S188-H190 PolarHBondContact O-N 2.62Å; S188-Q191 PolarHBondContact O-N 3.01Å; S188-Q191 VanDerWaalsContact O-N 3.14Å; S188-L192 VanDerWaalsContact O-CG 3.26Å; S188-L192 WeakPolarHBondContact O-CG 3.06Å; S188-L192 PolarHBondContact O-N 2.68Å
189	I	98.2	Very high	97.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-44.4	176	-73.2	161	0	0	0	109.9	L139 A185 T186 Q191 L192 V193 F378 I381 M415 L418	L139-I189 HydrophobicContact CD1-CG1 4.2Å; A185-I189 WeakPolarHBondContact O-CB 3.41Å; A185-I189 WeakPolarHBondContact O-CD1 3.32Å; A185-I189 WeakPolarHBondContact O-CG1 3.42Å; A185-I189 PolarHBondContact O-N 3.23Å; T186-I189 PolarHBondContact O-N 3.3Å; I189-Q191 VanDerWaalsContact C-N 3.29Å; I189-Q191 PolarHBondContact O-N 2.83Å; I189-L192 PolarHBondContact O-N 3.25Å; I189-V193 HydrophobicContact CG2-CG2 4.2Å; I189-V193 WeakPolarHBondContact O-CG2 3.49Å; I189-V193 PolarHBondContact O-N 3.26Å; I189-F378 HydrophobicContact CD1-CD1 3.89Å; I189-F378 HydrophobicContact CD1-CE1 4.16Å; I189-F378 HydrophobicContact CG1-CE1 4.44Å; I189-F378 HydrophobicContact CG2-CD1 4.4Å; I189-F378 HydrophobicContact CG2-CE1 4.3Å; I189-I381 HydrophobicContact CD1-CD1 3.56Å; I189-I381 HydrophobicContact CD1-CG2 4.5Å; I189-M415 HydrophobicContact CD1-SD 4.26Å; I189-L418 HydrophobicContact CG2-CD2 4.5Å
190	H	98	Very high	97.5	Very high	39 Å²	39	15 Å²	15	18%	0.181	8%	0.075	C	C	.	.	H	α-helix	trans	-52.9	-46.5	174.9	173.3	84.9	0	0	0	111.9	T186 S188 A411 N414	T186-H190 PolarHBondContact O-N 2.74Å; S188-H190 VanDerWaalsContact C-N 3.27Å; S188-H190 PolarHBondContact O-N 2.62Å; H190-A411 HydrophobicContact CB-CB 3.71Å; H190-N414 WeakPolarHBondContact ND1-CB 3.17Å; H190-N414 PolarHBondContact ND1-ND2 3.25Å
191	Q	98	Very high	97.6	Very high	38 Å²	38	14.9 Å²	14.9	18%	0.178	7%	0.074	C	C	.	.	H	α-helix	trans	-69	-34.6	176	-65.3	-65	-43.1	0	0	113.4	W101 T149 S153 L187 S188 I189 N195	W101-Q191 HydrophobicContact CZ2-CG 4.19Å; T149-Q191 HydrophobicContact CG2-CB 3.92Å; S153-Q191 PolarHBondContact OG-OE1 2.7Å; L187-Q191 PolarHBondContact O-N 3.45Å; S188-Q191 PolarHBondContact O-N 3.01Å; S188-Q191 VanDerWaalsContact O-N 3.14Å; I189-Q191 VanDerWaalsContact C-N 3.29Å; I189-Q191 PolarHBondContact O-N 2.83Å; Q191-N195 WeakPolarHBondContact O-CB 3.39Å; Q191-N195 PolarHBondContact O-N 3.3Å; Q191-N195 VanDerWaalsContact O-N 3.08Å; Q191-N195 PolarHBondContact O-ND2 2.84Å; Q191-N195 PolarHBondContact OE1-ND2 3Å
192	L	98.4	Very high	97.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-67.9	-40.7	179.4	-70.5	171.1	0	0	0	112.1	L139 I152 T166 S188 I189 E194 T196 T199 H264 F265	L139-L192 HydrophobicContact CD1-CD1 4.08Å; L139-L192 HydrophobicContact CD2-CD1 3.69Å; I152-L192 HydrophobicContact CD1-CD2 3.62Å; T166-L192 HydrophobicContact CG2-CD2 4.02Å; S188-L192 VanDerWaalsContact O-CG 3.26Å; S188-L192 WeakPolarHBondContact O-CG 3.06Å; S188-L192 PolarHBondContact O-N 2.68Å; I189-L192 PolarHBondContact O-N 3.25Å; L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 3.4Å; L192-T196 HydrophobicContact CB-CG2 4.46Å; L192-T196 HydrophobicContact CD2-CG2 3.53Å; L192-T196 PolarHBondContact O-N 2.91Å; L192-T196 VanDerWaalsContact O-N 3.16Å; L192-T196 PolarHBondContact O-OG1 3.14Å; L192-T199 HydrophobicContact CD1-CG2 4.27Å; L192-H264 PolarHBondContact O-CE1 2.99Å; L192-H264 VanDerWaalsContact O-CE1 3.27Å; L192-H264 PolarHBondContact O-NE2 2.87Å; L192-F265 HydrophobicContact CB-CE1 4.24Å; L192-F265 HydrophobicContact CB-CZ 4.25Å
193	V	97.9	Very high	97.7	Very high	8 Å²	8	13.7 Å²	13.7	5%	0.048	7%	0.068	C	C	.	.	H	α-helix	trans	-53.8	-48	176.8	172.4	0	0	0	0	110.2	I189 R262 H264 F265 L418	I189-V193 HydrophobicContact CG2-CG2 4.2Å; I189-V193 WeakPolarHBondContact O-CG2 3.49Å; I189-V193 PolarHBondContact O-N 3.26Å; V193-R262 HydrophobicContact CG1-CG 4.25Å; V193-H264 PolarHBondContact O-NE2 2.94Å; V193-F265 HydrophobicContact CG2-CE2 3.88Å; V193-F265 HydrophobicContact CG2-CZ 3.75Å; V193-L418 HydrophobicContact CG2-CD1 4.47Å; V193-L418 HydrophobicContact CG2-CD2 3.74Å
194	E	95.9	Very high	97.5	Very high	108 Å²	108	14.4 Å²	14.4	51%	0.505	7%	0.072	S	C	.	.	H	α-helix	trans	-81.7	-30	-173.1	-56.1	-56.3	142.7	0	0	114.1	L192 R262 N414	L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 3.4Å; E194-R262 IonicContact OE1-NH1 3Å; E194-R262 PolarHBondContact OE1-NH1 2.78Å; E194-N414 PolarHBondContact OE1-ND2 2.92Å
195	N	97.8	Very high	97.3	Very high	29 Å²	29	15.6 Å²	15.6	16%	0.155	8%	0.077	C	C	.	.	H	α-helix	trans	-116.8	-3.3	-164.6	-60.8	-79.6	0	0	0	115.2	I152 S153 R156 Q191	I152-N195 HydrophobicContact CG2-CB 3.47Å; I152-N195 VanDerWaalsContact CG2-CB 3.47Å; S153-N195 PolarHBondContact OG-ND2 2.87Å; R156-N195 PolarHBondContact NE-O 2.84Å; R156-N195 PolarHBondContact NH2-O 2.97Å; Q191-N195 WeakPolarHBondContact O-CB 3.39Å; Q191-N195 PolarHBondContact O-N 3.3Å; Q191-N195 VanDerWaalsContact O-N 3.08Å; Q191-N195 PolarHBondContact O-ND2 2.84Å; Q191-N195 PolarHBondContact OE1-ND2 3Å
196	T	98.1	Very high	97.2	Very high	7 Å²	7	16 Å²	16	4%	0.043	8%	0.081	C	C	.	.			trans	-116.7	154.1	-179.3	68.4	0	0	0	0	112.6	I152 M164 T166 L192 T199 H264	I152-T196 HydrophobicContact CD1-CG2 4.14Å; I152-T196 HydrophobicContact CG2-CG2 3.79Å; M164-T196 HydrophobicContact CG-CG2 3.88Å; T166-T196 HydrophobicContact CG2-CG2 3.59Å; L192-T196 HydrophobicContact CB-CG2 4.46Å; L192-T196 HydrophobicContact CD2-CG2 3.53Å; L192-T196 PolarHBondContact O-N 2.91Å; L192-T196 VanDerWaalsContact O-N 3.16Å; L192-T196 PolarHBondContact O-OG1 3.14Å; T196-T199 PolarHBondContact OG1-OG1 2.85Å; T196-H264 PolarHBondContact O-CD2 3.09Å; T196-H264 PolarHBondContact O-NE2 3.06Å; T196-H264 VanDerWaalsContact O-NE2 3.15Å; T196-H264 PolarHBondContact OG1-CE1 3.44Å; T196-H264 PolarHBondContact OG1-NE2 2.73Å
197	D	98	Very high	97.1	Very high	46 Å²	46	16.1 Å²	16.1	25%	0.246	8%	0.081	C	C	.	.	S	Bend	trans	-106.9	-22.5	176.8	-46.4	-78	0	0	0	112.6	R156 I163 M164 H264	R156-D197 IonicContact CZ-OD1 3.57Å; R156-D197 IonicContact CZ-OD2 3.27Å; R156-D197 IonicContact NH1-OD1 2.96Å; R156-D197 IonicContact NH1-OD2 2.76Å; R156-D197 PolarHBondContact NH1-OD2 3.4Å; R156-D197 IonicContact NH2-OD1 2.56Å; R156-D197 PolarHBondContact NH2-OD1 3.3Å; R156-D197 IonicContact NH2-OD2 3.55Å; R156-D197 PolarHBondContact NH2-OD2 2.78Å; I163-D197 VanDerWaalsContact CA-OD2 3.24Å; I163-D197 WeakPolarHBondContact CA-OD2 3.31Å; I163-D197 HydrophobicContact CD1-CB 4.15Å; I163-D197 HydrophobicContact CG2-CB 4.17Å; M164-D197 PolarHBondContact N-OD2 3.43Å; M164-D197 PolarHBondContact O-N 3.09Å; D197-H264 VanDerWaalsContact O-CB 3.25Å; D197-H264 WeakPolarHBondContact O-CB 3.42Å
198	E	97.6	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	115.2	-179.9	-65.2	-175	-175.7	0	0	108.8	M164 N165 T166 Y200 L253 A254 F266	M164-E198 PolarHBondContact O-N 3.01Å; N165-E198 CarbonylContact C-O 3.56Å; N165-E198 WeakPolarHBondContact CA-O 3.41Å; N165-E198 HydrophobicContact CB-CB 4.24Å; N165-E198 PolarHBondContact OD1-O 3.3Å; T166-E198 PolarHBondContact N-O 3.02Å; E198-Y200 HydrophobicContact CB-CE2 4.15Å; E198-Y200 PolarHBondContact OE2-OH 3.48Å; E198-L253 WeakPolarHBondContact OE1-CB 3.48Å; E198-A254 HydrophobicContact CG-CB 4.13Å; E198-A254 WeakPolarHBondContact OE1-CA 3.25Å; E198-A254 WeakPolarHBondContact OE1-CB 3.28Å; E198-A254 PolarHBondContact OE1-N 3.21Å; E198-F266 HydrophobicContact CB-CD2 4.49Å; E198-F266 HydrophobicContact CB-CE2 3.78Å; E198-F266 HydrophobicContact CG-CE2 3.85Å; E198-F266 HydrophobicContact CG-CZ 4.4Å
199	T	98.3	Very high	96.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	107.1	178.3	-69.4	0	0	0	0	111.1	T166 L192 T196 C201 H264 F265 F266	T166-T199 WeakPolarHBondContact OG1-CG2 3.33Å; T166-T199 PolarHBondContact OG1-OG1 3.24Å; T166-T199 VanDerWaalsContact OG1-OG1 3.06Å; L192-T199 HydrophobicContact CD1-CG2 4.27Å; T196-T199 PolarHBondContact OG1-OG1 2.85Å; T199-C201 PolarHBondContact O-N 2.88Å; T199-H264 PolarHBondContact N-O 3.22Å; T199-F265 HydrophobicContact CG2-CD1 3.49Å; T199-F265 VanDerWaalsContact CG2-CD1 3.49Å; T199-F265 HydrophobicContact CG2-CE1 3.7Å; T199-F265 CarbonylContact O-C 3.03Å; T199-F265 WeakPolarHBondContact O-CA 3.12Å; T199-F266 PolarHBondContact O-N 2.87Å
200	Y	98.3	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	104.5	174.8	-64.2	-94.2	0	0	0	109.8	N165 T166 F167 S168 E198 I202 V236 L253 F266 P268 I368	N165-Y200 WeakPolarHBondContact OD1-CD2 3.18Å; N165-Y200 WeakPolarHBondContact OD1-CE2 3.21Å; T166-Y200 WeakPolarHBondContact O-CB 3.12Å; T166-Y200 WeakPolarHBondContact O-CD2 3.45Å; T166-Y200 PolarHBondContact O-N 2.88Å; F167-Y200 HydrophobicContact CD1-CD2 4.39Å; F167-Y200 HydrophobicContact CD1-CG 4.07Å; F167-Y200 HydrophobicContact CE1-CD1 4.17Å; F167-Y200 AromaticContact CE1-CD2 4Å; F167-Y200 HydrophobicContact CE1-CD2 4Å; F167-Y200 AromaticContact CE1-CG 3.72Å; F167-Y200 HydrophobicContact CE1-CG 3.72Å; F167-Y200 HydrophobicContact CE2-CD2 4.06Å; F167-Y200 HydrophobicContact CE2-CE2 4.47Å; F167-Y200 AromaticContact CZ-CD2 3.83Å; F167-Y200 HydrophobicContact CZ-CD2 3.83Å; F167-Y200 HydrophobicContact CZ-CE2 4.2Å; F167-Y200 HydrophobicContact CZ-CG 4.03Å; S168-Y200 PolarHBondContact N-O 2.77Å; E198-Y200 HydrophobicContact CB-CE2 4.15Å; E198-Y200 PolarHBondContact OE2-OH 3.48Å; Y200-I202 PolarHBondContact O-N 2.86Å; Y200-V236 HydrophobicContact CD1-CG1 4.46Å; Y200-V236 HydrophobicContact CD1-CG2 4.21Å; Y200-V236 HydrophobicContact CE1-CB 4.41Å; Y200-V236 HydrophobicContact CE1-CG1 3.61Å; Y200-V236 HydrophobicContact CE1-CG2 3.85Å; Y200-V236 HydrophobicContact CE2-CG1 4.17Å; Y200-V236 VanDerWaalsContact CZ-CG1 3.46Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.35Å; Y200-L253 WeakPolarHBondContact OH-CD2 3.4Å; Y200-F266 HydrophobicContact CD1-CB 4.09Å; Y200-F266 HydrophobicContact CD1-CD2 4.11Å; Y200-F266 HydrophobicContact CD2-CD2 4.34Å; Y200-F266 HydrophobicContact CE1-CB 4.33Å; Y200-F266 AromaticContact CE1-CD2 3.78Å; Y200-F266 HydrophobicContact CE1-CD2 3.78Å; Y200-F266 HydrophobicContact CE1-CG 4.45Å; Y200-F266 AromaticContact CE2-CD2 3.98Å; Y200-F266 HydrophobicContact CE2-CD2 3.98Å; Y200-F266 HydrophobicContact CE2-CE2 4.37Å; Y200-F266 HydrophobicContact CG-CD2 4.38Å; Y200-F266 AromaticContact CZ-CD2 3.69Å; Y200-P268 HydrophobicContact CD1-CB 4.23Å; Y200-I368 HydrophobicContact CD1-CG2 4.46Å; Y200-I368 HydrophobicContact CE1-CD1 4Å; Y200-I368 HydrophobicContact CE1-CG1 4.09Å; Y200-I368 HydrophobicContact CE1-CG2 3.73Å
201	C	97.9	Very high	96.4	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.02	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	119.6	179.9	-68.8	0	0	0	0	111.1	V170 T199 F266 P268 I374 L377	V170-C201 HydrophobicContact CG2-CB 4.42Å; T199-C201 PolarHBondContact O-N 2.88Å; C201-F266 WeakPolarHBondContact CB-O 3.31Å; C201-F266 PolarHBondContact N-O 3.29Å; C201-P268 WeakPolarHBondContact O-CD 3.43Å; C201-I374 HydrophobicContact CB-CD1 4.04Å; C201-L377 HydrophobicContact CB-CD1 4.42Å
202	I	97.3	Very high	96.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	100.9	180	-65.6	158.7	0	0	0	108.7	F167 S168 V169 V170 Y200 L207 V229 P268 M300	F167-I202 HydrophobicContact CB-CD1 3.99Å; F167-I202 HydrophobicContact CD1-CD1 3.91Å; F167-I202 HydrophobicContact CG-CD1 4.46Å; S168-I202 PolarHBondContact O-N 3.31Å; V169-I202 CarbonylContact C-O 3.54Å; V169-I202 WeakPolarHBondContact CA-O 3.21Å; V169-I202 HydrophobicContact CG2-CB 4.34Å; V169-I202 HydrophobicContact CG2-CG2 4.22Å; V170-I202 PolarHBondContact N-O 3.11Å; Y200-I202 PolarHBondContact O-N 2.86Å; I202-L207 HydrophobicContact CG2-CD1 3.48Å; I202-L207 VanDerWaalsContact CG2-CD1 3.48Å; I202-L207 HydrophobicContact CG2-CD2 4.29Å; I202-L207 HydrophobicContact CG2-CG 4.03Å; I202-V229 HydrophobicContact CD1-CG1 3.56Å; I202-V229 HydrophobicContact CG2-CG2 3.62Å; I202-P268 HydrophobicContact CG1-CG 4.31Å; I202-M300 CarbonylContact C-O 3.6Å
203	D	95.3	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.1	-179.1	-172.7	-12.9	0	0	0	111.7	E205 A206 L207 M300 A302 L377 R380	D203-E205 PolarHBondContact O-N 3.1Å; D203-E205 VanDerWaalsContact OD1-CB 3.22Å; D203-E205 WeakPolarHBondContact OD1-CB 3.49Å; D203-E205 PolarHBondContact OD1-N 2.89Å; D203-A206 HydrophobicContact CB-CB 4.08Å; D203-A206 PolarHBondContact O-N 2.7Å; D203-A206 VanDerWaalsContact O-N 3.09Å; D203-L207 WeakPolarHBondContact O-CG 3.39Å; D203-L207 PolarHBondContact O-N 3.17Å; D203-M300 WeakPolarHBondContact CB-O 3.3Å; D203-M300 PolarHBondContact N-O 3.22Å; D203-A302 WeakPolarHBondContact OD2-CB 3.18Å; D203-A302 PolarHBondContact OD2-N 3.08Å; D203-L377 HydrophobicContact CB-CD1 4.48Å; D203-R380 IonicContact OD1-NH2 3.07Å; D203-R380 IonicContact OD2-CZ 3.44Å; D203-R380 VanDerWaalsContact OD2-CZ 3.24Å; D203-R380 IonicContact OD2-NH1 3.91Å; D203-R380 PolarHBondContact OD2-NH1 3.38Å; D203-R380 IonicContact OD2-NH2 3.97Å; D203-R380 PolarHBondContact OD2-NH2 3.16Å
204	N	93.5	Very high	95.8	Very high	15 Å²	15	32.3 Å²	32.3	8%	0.08	15%	0.149	C	C	.	.	H	α-helix	trans	-56.8	-31.6	174.9	-83	-29.2	0	0	0	113	V169 V170 V175 Y208	V169-N204 WeakPolarHBondContact CG1-ND2 3.31Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.33Å; V170-N204 PolarHBondContact O-N 2.92Å; V175-N204 HydrophobicContact CB-CB 4.33Å; V175-N204 HydrophobicContact CG1-CB 4.35Å; V175-N204 HydrophobicContact CG2-CB 4.35Å; N204-Y208 VanDerWaalsContact O-CB 3.26Å; N204-Y208 WeakPolarHBondContact O-CB 3.3Å; N204-Y208 PolarHBondContact O-N 2.66Å
205	E	92.8	Very high	95.7	Very high	26 Å²	26	29 Å²	29	12%	0.121	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-48.9	174.8	-165.6	167.8	163	0	0	111.4	S172 K174 D203 Y208 D209 A302 R380	S172-E205 WeakPolarHBondContact OG-CB 3.3Å; S172-E205 PolarHBondContact OG-OE2 3.3Å; S172-E205 VanDerWaalsContact OG-OE2 3.13Å; K174-E205 HydrophobicContact CD-CG 4.18Å; K174-E205 WeakPolarHBondContact CD-OE1 3.41Å; K174-E205 WeakPolarHBondContact CE-OE1 3.29Å; K174-E205 IonicContact NZ-OE1 2.86Å; K174-E205 PolarHBondContact NZ-OE1 3Å; D203-E205 PolarHBondContact O-N 3.1Å; D203-E205 VanDerWaalsContact OD1-CB 3.22Å; D203-E205 WeakPolarHBondContact OD1-CB 3.49Å; D203-E205 PolarHBondContact OD1-N 2.89Å; E205-Y208 PolarHBondContact O-N 2.94Å; E205-D209 PolarHBondContact O-N 3.14Å; E205-A302 HydrophobicContact CB-CB 4.42Å; E205-R380 IonicContact OE2-CZ 2.6Å; E205-R380 IonicContact OE2-NH1 2.7Å; E205-R380 PolarHBondContact OE2-NH1 3.44Å
206	A	94.9	Very high	95.5	Very high	9 Å²	9	34.8 Å²	34.8	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-43.6	-179.8	0	0	0	0	0	111.1	D203 Y208 D209 I210 A302	D203-A206 HydrophobicContact CB-CB 4.08Å; D203-A206 PolarHBondContact O-N 2.7Å; D203-A206 VanDerWaalsContact O-N 3.09Å; A206-Y208 VanDerWaalsContact C-N 3.35Å; A206-Y208 PolarHBondContact O-N 2.81Å; A206-D209 PolarHBondContact O-N 3.2Å; A206-I210 VanDerWaalsContact O-CG1 3.31Å; A206-I210 WeakPolarHBondContact O-CG1 3.35Å; A206-I210 PolarHBondContact O-N 3.33Å; A206-A302 HydrophobicContact CB-CB 4.22Å
207	L	95.5	Very high	95.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-59.1	-45.7	175	-68.1	177.6	0	0	0	111.8	I202 D203 I210 C211 L225 L228 V229 M300	I202-L207 HydrophobicContact CG2-CD1 3.48Å; I202-L207 VanDerWaalsContact CG2-CD1 3.48Å; I202-L207 HydrophobicContact CG2-CD2 4.29Å; I202-L207 HydrophobicContact CG2-CG 4.03Å; D203-L207 WeakPolarHBondContact O-CG 3.39Å; D203-L207 PolarHBondContact O-N 3.17Å; L207-I210 PolarHBondContact O-N 3.13Å; L207-C211 WeakPolarHBondContact O-CB 3.43Å; L207-C211 PolarHBondContact O-N 2.9Å; L207-C211 PolarHBondContact O-SG 2.67Å; L207-C211 VanDerWaalsContact O-SG 3.41Å; L207-L225 HydrophobicContact CB-CB 4.45Å; L207-L225 HydrophobicContact CB-CD2 4.1Å; L207-L225 HydrophobicContact CB-CG 3.94Å; L207-L225 HydrophobicContact CD1-CB 4.28Å; L207-L228 HydrophobicContact CD2-CD2 3.75Å; L207-L228 HydrophobicContact CD2-CG 4.08Å; L207-V229 HydrophobicContact CD1-CG2 3.55Å; L207-V229 HydrophobicContact CD2-CG2 3.91Å; L207-V229 HydrophobicContact CG-CG2 4.39Å; L207-M300 HydrophobicContact CD2-CB 4.25Å; L207-M300 HydrophobicContact CD2-CG 4.02Å; L207-M300 HydrophobicContact CD2-SD 3.93Å
208	Y	94	Very high	95	Very high	88 Å²	88	37.9 Å²	37.9	35%	0.345	19%	0.186	S	C	.	.	H	α-helix	trans	-61.1	-46.1	177.6	-174.2	-86	0	0	0	111.2	V175 N204 E205 A206 I210 C211 F212 P220	V175-Y208 HydrophobicContact CG2-CG 4.4Å; N204-Y208 VanDerWaalsContact O-CB 3.26Å; N204-Y208 WeakPolarHBondContact O-CB 3.3Å; N204-Y208 PolarHBondContact O-N 2.66Å; E205-Y208 PolarHBondContact O-N 2.94Å; A206-Y208 VanDerWaalsContact C-N 3.35Å; A206-Y208 PolarHBondContact O-N 2.81Å; Y208-I210 PolarHBondContact O-N 2.91Å; Y208-C211 PolarHBondContact O-N 2.83Å; Y208-F212 HydrophobicContact CD1-CB 4.37Å; Y208-F212 HydrophobicContact CE1-CB 4.13Å; Y208-F212 HydrophobicContact CE1-CG 4.37Å; Y208-F212 VanDerWaalsContact O-CB 3.26Å; Y208-F212 WeakPolarHBondContact O-CB 3.41Å; Y208-F212 PolarHBondContact O-N 3.33Å; Y208-P220 HydrophobicContact CD2-CB 3.99Å; Y208-P220 HydrophobicContact CD2-CG 4.17Å; Y208-P220 HydrophobicContact CE2-CB 3.96Å; Y208-P220 HydrophobicContact CE2-CG 3.89Å
209	D	94.4	Very high	94.7	Very high	47 Å²	47	43.2 Å²	43.2	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-64.2	-38.5	178.5	-94.3	-24.8	0	0	0	112.5	E205 A206 R213	E205-D209 PolarHBondContact O-N 3.14Å; A206-D209 PolarHBondContact O-N 3.2Å; D209-R213 VanDerWaalsContact O-CB 3.26Å; D209-R213 WeakPolarHBondContact O-CB 3.18Å; D209-R213 WeakPolarHBondContact O-CG 3.47Å; D209-R213 PolarHBondContact O-N 2.79Å; D209-R213 IonicContact OD1-CZ 3.4Å; D209-R213 VanDerWaalsContact OD1-CZ 3.25Å; D209-R213 IonicContact OD1-NE 3.07Å; D209-R213 PolarHBondContact OD1-NE 2.7Å; D209-R213 IonicContact OD1-NH2 3.32Å; D209-R213 PolarHBondContact OD1-NH2 3.06Å; D209-R213 IonicContact OD2-CZ 2.84Å; D209-R213 IonicContact OD2-NE 3.39Å; D209-R213 IonicContact OD2-NH2 2.87Å; D209-R213 PolarHBondContact OD2-NH2 2.8Å; D209-R213 VanDerWaalsContact OD2-NH2 3.13Å
210	I	95.5	Very high	94.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.224	C	C	.	.	I	π-helix	trans	-61	-50.9	172.8	-70.9	164.6	0	0	0	110.2	A206 L207 Y208 F212 T214 L215 L228 L273 K297 M300	A206-I210 VanDerWaalsContact O-CG1 3.31Å; A206-I210 WeakPolarHBondContact O-CG1 3.35Å; A206-I210 PolarHBondContact O-N 3.33Å; L207-I210 PolarHBondContact O-N 3.13Å; Y208-I210 PolarHBondContact O-N 2.91Å; I210-F212 PolarHBondContact O-N 2.81Å; I210-T214 WeakPolarHBondContact O-CA 3.43Å; I210-T214 VanDerWaalsContact O-CB 3.26Å; I210-T214 WeakPolarHBondContact O-CB 3.22Å; I210-T214 PolarHBondContact O-N 3.03Å; I210-L215 HydrophobicContact CG2-CD1 4.46Å; I210-L215 HydrophobicContact CG2-CG 4.34Å; I210-L215 PolarHBondContact O-N 2.99Å; I210-L228 HydrophobicContact CB-CD2 4.04Å; I210-L228 HydrophobicContact CD1-CD2 4.1Å; I210-L228 HydrophobicContact CG2-CD2 3.56Å; I210-L273 HydrophobicContact CG2-CD1 3.78Å; I210-L273 HydrophobicContact CG2-CD2 3.93Å; I210-L273 HydrophobicContact CG2-CG 4.39Å; I210-K297 VanDerWaalsContact CG1-O 3.24Å; I210-K297 WeakPolarHBondContact CG1-O 3.43Å; I210-M300 HydrophobicContact CD1-CG 4.34Å
211	C	94.9	Very high	94.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-60.8	-45.7	179.9	-74.8	0	0	0	0	111.9	L207 Y208 L215 K216 L217 P220	L207-C211 WeakPolarHBondContact O-CB 3.43Å; L207-C211 PolarHBondContact O-N 2.9Å; L207-C211 PolarHBondContact O-SG 2.67Å; L207-C211 VanDerWaalsContact O-SG 3.41Å; Y208-C211 PolarHBondContact O-N 2.83Å; C211-L215 CarbonylContact O-C 3.5Å; C211-L215 WeakPolarHBondContact O-CB 3.39Å; C211-K216 PolarHBondContact O-N 2.9Å; C211-L217 HydrophobicContact CB-CD1 4.07Å; C211-L217 WeakPolarHBondContact O-CB 3.36Å; C211-L217 WeakPolarHBondContact O-CG 3.36Å; C211-L217 PolarHBondContact O-N 2.75Å; C211-P220 HydrophobicContact CB-CB 3.66Å; C211-P220 HydrophobicContact CB-CG 3.78Å
212	F	94.4	Very high	93.9	Very high	95 Å²	95	53 Å²	53	42%	0.417	27%	0.267	S	S	.	.	I	π-helix	trans	-73.1	-53.1	-176.4	-176.8	-111.7	0	0	0	112.4	Y208 I210 K216 L217 P220	Y208-F212 HydrophobicContact CD1-CB 4.37Å; Y208-F212 HydrophobicContact CE1-CB 4.13Å; Y208-F212 HydrophobicContact CE1-CG 4.37Å; Y208-F212 VanDerWaalsContact O-CB 3.26Å; Y208-F212 WeakPolarHBondContact O-CB 3.41Å; Y208-F212 PolarHBondContact O-N 3.33Å; I210-F212 PolarHBondContact O-N 2.81Å; F212-K216 VanDerWaalsContact O-CA 3.3Å; F212-K216 WeakPolarHBondContact O-CA 3.02Å; F212-K216 PolarHBondContact O-N 2.85Å; F212-L217 VanDerWaalsContact CD2-O 3.3Å; F212-L217 WeakPolarHBondContact CD2-O 3.35Å; F212-P220 HydrophobicContact CB-CG 3.92Å
213	R	93.7	Very high	93.7	Very high	163 Å²	163	55.2 Å²	55.2	62%	0.615	29%	0.29	S	S	*	.	I	π-helix	trans	-87.3	-45.8	-171.1	-55.1	-174.6	-164.7	-169.7	11.4	112.5	D209	D209-R213 VanDerWaalsContact O-CB 3.26Å; D209-R213 WeakPolarHBondContact O-CB 3.18Å; D209-R213 WeakPolarHBondContact O-CG 3.47Å; D209-R213 PolarHBondContact O-N 2.79Å; D209-R213 IonicContact OD1-CZ 3.4Å; D209-R213 VanDerWaalsContact OD1-CZ 3.25Å; D209-R213 IonicContact OD1-NE 3.07Å; D209-R213 PolarHBondContact OD1-NE 2.7Å; D209-R213 IonicContact OD1-NH2 3.32Å; D209-R213 PolarHBondContact OD1-NH2 3.06Å; D209-R213 IonicContact OD2-CZ 2.84Å; D209-R213 IonicContact OD2-NE 3.39Å; D209-R213 IonicContact OD2-NH2 2.87Å; D209-R213 PolarHBondContact OD2-NH2 2.8Å; D209-R213 VanDerWaalsContact OD2-NH2 3.13Å
214	T	93.4	Very high	93.7	Very high	37 Å²	37	57.1 Å²	57.1	23%	0.227	30%	0.301	C	S	.	.	I	π-helix	trans	-85.5	-48.8	-172.7	-53.6	0	0	0	0	111.3	I210 K216 L273	I210-T214 WeakPolarHBondContact O-CA 3.43Å; I210-T214 VanDerWaalsContact O-CB 3.26Å; I210-T214 WeakPolarHBondContact O-CB 3.22Å; I210-T214 PolarHBondContact O-N 3.03Å; T214-K216 VanDerWaalsContact C-N 3.3Å; T214-L273 HydrophobicContact CG2-CB 3.69Å
215	L	93.9	Very high	93.7	Very high	38 Å²	38	56.6 Å²	56.6	20%	0.199	30%	0.297	C	S	.	.	S	Bend	trans	-82.8	-8.4	178.3	-56.4	-178.5	0	0	0	113.3	I210 C211 L217 L273 A275	I210-L215 HydrophobicContact CG2-CD1 4.46Å; I210-L215 HydrophobicContact CG2-CG 4.34Å; I210-L215 PolarHBondContact O-N 2.99Å; C211-L215 CarbonylContact O-C 3.5Å; C211-L215 WeakPolarHBondContact O-CB 3.39Å; L215-L217 VanDerWaalsContact C-N 3.29Å; L215-L217 HydrophobicContact CB-CD1 4.45Å; L215-L217 HydrophobicContact CB-CG 4.06Å; L215-L217 PolarHBondContact O-N 3.25Å; L215-L273 HydrophobicContact CD2-CB 4.14Å; L215-L273 HydrophobicContact CD2-CD2 4.21Å; L215-A275 WeakPolarHBondContact O-CB 3.4Å
216	K	94.1	Very high	93.8	Very high	151 Å²	151	56 Å²	56	66%	0.657	30%	0.296	S	S	*	.			trans	58.3	37.3	177.8	-57.4	-177.5	179.1	178.4	0	113.1	C211 F212 T214 A275	C211-K216 PolarHBondContact O-N 2.9Å; F212-K216 VanDerWaalsContact O-CA 3.3Å; F212-K216 WeakPolarHBondContact O-CA 3.02Å; F212-K216 PolarHBondContact O-N 2.85Å; T214-K216 VanDerWaalsContact C-N 3.3Å; K216-A275 HydrophobicContact CB-CB 4.14Å; K216-A275 HydrophobicContact CD-CB 4.04Å; K216-A275 HydrophobicContact CG-CB 4.04Å
217	L	93.4	Very high	93.8	Very high	35 Å²	35	60.7 Å²	60.7	18%	0.183	32%	0.315	C	S	.	.			trans	-82.6	120.5	173.6	-55	-177.6	0	0	0	108.7	C211 F212 L215 T219 P220 D224	C211-L217 HydrophobicContact CB-CD1 4.07Å; C211-L217 WeakPolarHBondContact O-CB 3.36Å; C211-L217 WeakPolarHBondContact O-CG 3.36Å; C211-L217 PolarHBondContact O-N 2.75Å; F212-L217 VanDerWaalsContact CD2-O 3.3Å; F212-L217 WeakPolarHBondContact CD2-O 3.35Å; L215-L217 VanDerWaalsContact C-N 3.29Å; L215-L217 HydrophobicContact CB-CD1 4.45Å; L215-L217 HydrophobicContact CB-CG 4.06Å; L215-L217 PolarHBondContact O-N 3.25Å; L217-T219 VanDerWaalsContact C-N 3.34Å; L217-T219 PolarHBondContact O-N 2.91Å; L217-P220 HydrophobicContact CB-CG 4.28Å; L217-P220 WeakPolarHBondContact O-CD 3.5Å; L217-D224 HydrophobicContact CD1-CB 3.84Å
218	A	91.9	Very high	93.8	Very high	84 Å²	84	61 Å²	61	69%	0.694	32%	0.317	S	S	*	.	S	Bend	trans	-66.6	-35.2	-176.5	0	0	0	0	0	113.1
219	T	91.8	Very high	93.9	Very high	112 Å²	112	56.9 Å²	56.9	69%	0.687	30%	0.301	S	S	*	.	S	Bend	trans	-134.4	81.7	177.4	54.7	0	0	0	0	109	L217 T221	L217-T219 VanDerWaalsContact C-N 3.34Å; L217-T219 PolarHBondContact O-N 2.91Å; T219-T221 PolarHBondContact O-N 3.45Å
220	P	93.2	Very high	94	Very high	18 Å²	18	54.6 Å²	54.6	12%	0.117	29%	0.289	C	S	.	.			trans	-54.6	132.7	175	-24.6	34.6	0	0	0	111.1	Y208 C211 F212 L217 L225	Y208-P220 HydrophobicContact CD2-CB 3.99Å; Y208-P220 HydrophobicContact CD2-CG 4.17Å; Y208-P220 HydrophobicContact CE2-CB 3.96Å; Y208-P220 HydrophobicContact CE2-CG 3.89Å; C211-P220 HydrophobicContact CB-CB 3.66Å; C211-P220 HydrophobicContact CB-CG 3.78Å; F212-P220 HydrophobicContact CB-CG 3.92Å; L217-P220 HydrophobicContact CB-CG 4.28Å; L217-P220 WeakPolarHBondContact O-CD 3.5Å; P220-L225 HydrophobicContact CB-CD1 3.96Å
221	T	93.1	Very high	94	Very high	74 Å²	74	55.4 Å²	55.4	45%	0.454	30%	0.296	S	S	.	.			trans	-108.1	158.4	175.5	68	0	0	0	0	110.3	T219 G223 D224 L225	T219-T221 PolarHBondContact O-N 3.45Å; T221-G223 PolarHBondContact O-N 3.09Å; T221-G223 PolarHBondContact OG1-N 3.33Å; T221-D224 WeakPolarHBondContact CB-OD2 3.24Å; T221-D224 PolarHBondContact N-OD2 2.86Å; T221-D224 WeakPolarHBondContact O-CA 3.32Å; T221-D224 WeakPolarHBondContact O-CB 3.31Å; T221-D224 PolarHBondContact O-N 3.33Å; T221-D224 PolarHBondContact OG1-N 2.95Å; T221-D224 PolarHBondContact OG1-OD2 3.29Å; T221-L225 WeakPolarHBondContact O-CD1 3.16Å; T221-L225 PolarHBondContact O-N 2.95Å; T221-L225 VanDerWaalsContact O-N 3.13Å
222	Y	91.5	Very high	94	Very high	116 Å²	116	55.5 Å²	55.5	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-54.4	-28.4	172.6	-74.8	-68.9	0	0	0	113.1	V175 D224 L225 N226	V175-Y222 HydrophobicContact CG1-CE1 4.42Å; Y222-D224 VanDerWaalsContact C-N 3.34Å; Y222-D224 PolarHBondContact O-N 3.25Å; Y222-L225 HydrophobicContact CD1-CD2 4.27Å; Y222-L225 PolarHBondContact O-N 2.91Å; Y222-N226 VanDerWaalsContact O-CB 3.22Å; Y222-N226 WeakPolarHBondContact O-CB 3.26Å; Y222-N226 PolarHBondContact O-N 3.37Å; Y222-N226 PolarHBondContact O-ND2 3.14Å; Y222-N226 PolarHBondContact O-OD1 3.45Å
223	G	93.2	Very high	94.1	Very high	49 Å²	49	51 Å²	51	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-38.1	172.1	0	0	0	0	0	113.4	T221 H227	T221-G223 PolarHBondContact O-N 3.09Å; T221-G223 PolarHBondContact OG1-N 3.33Å; G223-H227 WeakPolarHBondContact O-CB 3.24Å; G223-H227 PolarHBondContact O-N 3.45Å
224	D	94.1	Very high	94.2	Very high	40 Å²	40	43.2 Å²	43.2	21%	0.214	25%	0.247	C	C	.	.	H	α-helix	trans	-69.5	-43	175.5	-57.8	-66.8	0	0	0	111.3	L217 T221 Y222 H227 L228	L217-D224 HydrophobicContact CD1-CB 3.84Å; T221-D224 WeakPolarHBondContact CB-OD2 3.24Å; T221-D224 PolarHBondContact N-OD2 2.86Å; T221-D224 WeakPolarHBondContact O-CA 3.32Å; T221-D224 WeakPolarHBondContact O-CB 3.31Å; T221-D224 PolarHBondContact O-N 3.33Å; T221-D224 PolarHBondContact OG1-N 2.95Å; T221-D224 PolarHBondContact OG1-OD2 3.29Å; Y222-D224 VanDerWaalsContact C-N 3.34Å; Y222-D224 PolarHBondContact O-N 3.25Å; D224-H227 PolarHBondContact O-N 2.55Å; D224-L228 PolarHBondContact O-N 3.24Å; D224-L228 VanDerWaalsContact O-N 3.17Å
225	L	94.9	Very high	94.2	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-51	177.2	-78.1	69	0	0	0	110.2	L207 P220 T221 Y222 H227 L228 V229	L207-L225 HydrophobicContact CB-CB 4.45Å; L207-L225 HydrophobicContact CB-CD2 4.1Å; L207-L225 HydrophobicContact CB-CG 3.94Å; L207-L225 HydrophobicContact CD1-CB 4.28Å; P220-L225 HydrophobicContact CB-CD1 3.96Å; T221-L225 WeakPolarHBondContact O-CD1 3.16Å; T221-L225 PolarHBondContact O-N 2.95Å; T221-L225 VanDerWaalsContact O-N 3.13Å; Y222-L225 HydrophobicContact CD1-CD2 4.27Å; Y222-L225 PolarHBondContact O-N 2.91Å; L225-H227 VanDerWaalsContact C-N 3.28Å; L225-H227 PolarHBondContact O-N 2.95Å; L225-L228 WeakPolarHBondContact O-CB 3.3Å; L225-L228 PolarHBondContact O-N 2.95Å; L225-V229 WeakPolarHBondContact O-CG2 3.21Å; L225-V229 PolarHBondContact O-N 2.81Å
226	N	94.6	Very high	94.2	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.08	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-35.3	179.6	-66.7	-11.1	0	0	0	112	I16 Y222 V229 S230	I16-N226 HydrophobicContact CG1-CB 4.17Å; I16-N226 VanDerWaalsContact CG1-OD1 3.31Å; I16-N226 WeakPolarHBondContact CG1-OD1 3.31Å; Y222-N226 VanDerWaalsContact O-CB 3.22Å; Y222-N226 WeakPolarHBondContact O-CB 3.26Å; Y222-N226 PolarHBondContact O-N 3.37Å; Y222-N226 PolarHBondContact O-ND2 3.14Å; Y222-N226 PolarHBondContact O-OD1 3.45Å; N226-V229 PolarHBondContact O-N 2.71Å; N226-S230 WeakPolarHBondContact O-CB 3.5Å; N226-S230 PolarHBondContact O-N 3.13Å; N226-S230 PolarHBondContact O-OG 2.91Å
227	H	94.3	Very high	94.2	Very high	106 Å²	106	32.7 Å²	32.7	49%	0.491	20%	0.197	S	C	.	.	H	α-helix	trans	-61.8	-45	173.5	178.9	51.3	0	0	0	111.6	G223 D224 L225 S230 A231	G223-H227 WeakPolarHBondContact O-CB 3.24Å; G223-H227 PolarHBondContact O-N 3.45Å; D224-H227 PolarHBondContact O-N 2.55Å; L225-H227 VanDerWaalsContact C-N 3.28Å; L225-H227 PolarHBondContact O-N 2.95Å; H227-S230 WeakPolarHBondContact CA-OG 3.24Å; H227-S230 PolarHBondContact O-N 3.4Å; H227-S230 PolarHBondContact O-OG 3.03Å; H227-A231 PolarHBondContact O-N 3.29Å
228	L	95	Very high	94.1	Very high	9 Å²	9	31 Å²	31	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-44.5	177.3	178.7	57.6	0	0	0	111.8	L207 I210 D224 L225 S230 A231 T232 F270 L273 M300	L207-L228 HydrophobicContact CD2-CD2 3.75Å; L207-L228 HydrophobicContact CD2-CG 4.08Å; I210-L228 HydrophobicContact CB-CD2 4.04Å; I210-L228 HydrophobicContact CD1-CD2 4.1Å; I210-L228 HydrophobicContact CG2-CD2 3.56Å; D224-L228 PolarHBondContact O-N 3.24Å; D224-L228 VanDerWaalsContact O-N 3.17Å; L225-L228 WeakPolarHBondContact O-CB 3.3Å; L225-L228 PolarHBondContact O-N 2.95Å; L228-S230 PolarHBondContact O-N 2.89Å; L228-A231 PolarHBondContact O-N 3.18Å; L228-T232 PolarHBondContact O-N 3.47Å; L228-T232 PolarHBondContact O-OG1 2.81Å; L228-F270 HydrophobicContact CD1-CB 4.33Å; L228-L273 HydrophobicContact CD1-CD2 3.65Å; L228-M300 HydrophobicContact CD1-CE 3.39Å; L228-M300 HydrophobicContact CD2-CE 3.97Å; L228-M300 HydrophobicContact CG-CE 3.39Å; L228-M300 HydrophobicContact CG-SD 4.39Å
229	V	97	Very high	93.9	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-46	175.6	179	0	0	0	0	111.4	I16 I202 L207 L225 N226 A231 T232 M233	I16-V229 HydrophobicContact CD1-CG1 4.22Å; I16-V229 HydrophobicContact CG2-CB 4.25Å; I16-V229 HydrophobicContact CG2-CG1 3.59Å; I202-V229 HydrophobicContact CD1-CG1 3.56Å; I202-V229 HydrophobicContact CG2-CG2 3.62Å; L207-V229 HydrophobicContact CD1-CG2 3.55Å; L207-V229 HydrophobicContact CD2-CG2 3.91Å; L207-V229 HydrophobicContact CG-CG2 4.39Å; L225-V229 WeakPolarHBondContact O-CG2 3.21Å; L225-V229 PolarHBondContact O-N 2.81Å; N226-V229 PolarHBondContact O-N 2.71Å; V229-A231 VanDerWaalsContact C-N 3.3Å; V229-A231 PolarHBondContact O-N 2.8Å; V229-T232 WeakPolarHBondContact O-CB 3.43Å; V229-T232 PolarHBondContact O-N 3.17Å; V229-T232 VanDerWaalsContact O-N 3.16Å; V229-M233 HydrophobicContact CG1-CG 4.23Å; V229-M233 HydrophobicContact CG1-SD 3.94Å; V229-M233 WeakPolarHBondContact O-CG 3.36Å; V229-M233 PolarHBondContact O-N 3.05Å
230	S	96.1	Very high	93.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-36.7	179.7	71	0	0	0	0	113	K19 N226 H227 L228 M233 S234	K19-S230 WeakPolarHBondContact CG-OG 3.5Å; N226-S230 WeakPolarHBondContact O-CB 3.5Å; N226-S230 PolarHBondContact O-N 3.13Å; N226-S230 PolarHBondContact O-OG 2.91Å; H227-S230 WeakPolarHBondContact CA-OG 3.24Å; H227-S230 PolarHBondContact O-N 3.4Å; H227-S230 PolarHBondContact O-OG 3.03Å; L228-S230 PolarHBondContact O-N 2.89Å; S230-M233 PolarHBondContact O-N 2.85Å; S230-S234 WeakPolarHBondContact O-CB 3.03Å; S230-S234 PolarHBondContact O-N 2.96Å
231	A	94.6	Very high	93.8	Very high	18 Å²	18	21.2 Å²	21.2	15%	0.149	12%	0.119	C	C	.	.	H	α-helix	trans	-65.8	-40.3	176.5	0	0	0	0	0	111.3	H227 L228 V229 G235 F270	H227-A231 PolarHBondContact O-N 3.29Å; L228-A231 PolarHBondContact O-N 3.18Å; V229-A231 VanDerWaalsContact C-N 3.3Å; V229-A231 PolarHBondContact O-N 2.8Å; A231-G235 PolarHBondContact O-N 2.81Å; A231-F270 HydrophobicContact CB-CD2 4.11Å; A231-F270 HydrophobicContact CB-CE2 3.92Å; A231-F270 HydrophobicContact CB-CG 4.5Å; A231-F270 HydrophobicContact CB-CZ 4.14Å
232	T	95.9	Very high	93.6	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-65.4	-49.1	173.8	-61.3	0	0	0	0	112.3	L228 V229 S234 G235 V236 P268 M300 T366	L228-T232 PolarHBondContact O-N 3.47Å; L228-T232 PolarHBondContact O-OG1 2.81Å; V229-T232 WeakPolarHBondContact O-CB 3.43Å; V229-T232 PolarHBondContact O-N 3.17Å; V229-T232 VanDerWaalsContact O-N 3.16Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 2.79Å; T232-G235 CarbonylContact O-C 3.48Å; T232-G235 WeakPolarHBondContact O-CA 3.49Å; T232-G235 PolarHBondContact O-N 2.6Å; T232-V236 HydrophobicContact CG2-CG2 4.32Å; T232-V236 WeakPolarHBondContact O-CG2 3.42Å; T232-V236 PolarHBondContact O-N 3.12Å; T232-P268 HydrophobicContact CG2-CB 3.63Å; T232-P268 HydrophobicContact CG2-CG 4.31Å; T232-M300 HydrophobicContact CG2-CE 4.42Å; T232-M300 HydrophobicContact CG2-SD 3.97Å; T232-M300 WeakPolarHBondContact OG1-CE 3.04Å; T232-M300 PolarHBondContact OG1-SD 2.88Å; T232-T366 HydrophobicContact CG2-CG2 4.42Å
233	M	97	Very high	93	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.2	-43.4	176.1	-71.4	172.7	73.4	0	0	111.4	I16 F20 T136 F167 V229 S230 G235 V236 T237	I16-M233 HydrophobicContact CG2-SD 3.45Å; I16-M233 WeakPolarHBondContact CG2-SD 3.28Å; F20-M233 HydrophobicContact CB-CE 4.07Å; F20-M233 HydrophobicContact CB-SD 4.24Å; F20-M233 HydrophobicContact CD1-CE 4.23Å; F20-M233 HydrophobicContact CD2-CB 3.53Å; F20-M233 HydrophobicContact CD2-CE 4.04Å; F20-M233 HydrophobicContact CD2-SD 4.41Å; F20-M233 HydrophobicContact CE2-CB 3.82Å; F20-M233 HydrophobicContact CG-CB 4.42Å; F20-M233 HydrophobicContact CG-CE 3.84Å; F20-M233 HydrophobicContact CG-SD 4.44Å; T136-M233 HydrophobicContact CG2-CE 4.38Å; T136-M233 VanDerWaalsContact OG1-CE 3.28Å; T136-M233 WeakPolarHBondContact OG1-CE 3.42Å; F167-M233 HydrophobicContact CD1-CG 3.44Å; F167-M233 VanDerWaalsContact CD1-CG 3.44Å; F167-M233 HydrophobicContact CD1-SD 4.4Å; F167-M233 HydrophobicContact CD2-CE 4.17Å; F167-M233 HydrophobicContact CD2-CG 4.34Å; F167-M233 HydrophobicContact CE1-CB 4.21Å; F167-M233 HydrophobicContact CE1-CG 3.53Å; F167-M233 HydrophobicContact CE2-CG 4.46Å; F167-M233 HydrophobicContact CG-CE 4.19Å; F167-M233 HydrophobicContact CG-CG 3.85Å; F167-M233 HydrophobicContact CG-SD 4.32Å; F167-M233 HydrophobicContact CZ-CB 4.41Å; F167-M233 HydrophobicContact CZ-CG 4.05Å; V229-M233 HydrophobicContact CG1-CG 4.23Å; V229-M233 HydrophobicContact CG1-SD 3.94Å; V229-M233 WeakPolarHBondContact O-CG 3.36Å; V229-M233 PolarHBondContact O-N 3.05Å; S230-M233 PolarHBondContact O-N 2.85Å; M233-G235 VanDerWaalsContact C-N 3.33Å; M233-G235 PolarHBondContact O-N 3.18Å; M233-V236 PolarHBondContact O-N 2.88Å; M233-T237 WeakPolarHBondContact O-CB 3.19Å; M233-T237 VanDerWaalsContact O-CG2 3.27Å; M233-T237 WeakPolarHBondContact O-CG2 3.03Å; M233-T237 PolarHBondContact O-N 3.39Å; M233-T237 PolarHBondContact O-OG1 2.77Å
234	S	95	Very high	91.6	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.6	-45.5	174.7	176.1	0	0	0	0	111.4	E27 S230 T232 T237 T238 R241 R318	E27-S234 PolarHBondContact OE1-OG 3.07Å; E27-S234 PolarHBondContact OE2-OG 3.2Å; S230-S234 WeakPolarHBondContact O-CB 3.03Å; S230-S234 PolarHBondContact O-N 2.96Å; T232-S234 VanDerWaalsContact C-N 3.27Å; T232-S234 PolarHBondContact O-N 2.79Å; S234-T237 PolarHBondContact O-N 3.21Å; S234-T237 PolarHBondContact O-OG1 3.25Å; S234-T238 PolarHBondContact O-N 2.82Å; S234-T238 VanDerWaalsContact O-N 3.08Å; S234-T238 PolarHBondContact O-OG1 3.46Å; S234-R241 PolarHBondContact O-NH2 3.3Å; S234-R241 PolarHBondContact OG-NH2 2.84Å; S234-R241 VanDerWaalsContact OG-NH2 3.07Å; S234-R318 PolarHBondContact OG-NH1 2.92Å
235	G	94.1	Very high	90.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-49.2	176.6	0	0	0	0	0	114.3	A231 T232 M233 T237 T238 T366	A231-G235 PolarHBondContact O-N 2.81Å; T232-G235 CarbonylContact O-C 3.48Å; T232-G235 WeakPolarHBondContact O-CA 3.49Å; T232-G235 PolarHBondContact O-N 2.6Å; M233-G235 VanDerWaalsContact C-N 3.33Å; M233-G235 PolarHBondContact O-N 3.18Å; G235-T237 VanDerWaalsContact C-N 3.29Å; G235-T237 PolarHBondContact O-N 2.94Å; G235-T238 WeakPolarHBondContact CA-OG1 3.45Å; G235-T238 VanDerWaalsContact O-CB 3.29Å; G235-T238 WeakPolarHBondContact O-CB 3.12Å; G235-T238 PolarHBondContact O-N 3.48Å; G235-T238 PolarHBondContact O-OG1 3.2Å; G235-T238 VanDerWaalsContact O-OG1 3.1Å; G235-T366 VanDerWaalsContact CA-OG1 3.28Å; G235-T366 WeakPolarHBondContact CA-OG1 3.43Å
236	V	93.5	Very high	88.2	Confident	5 Å²	5	18.9 Å²	18.9	3%	0.03	12%	0.117	C	C	.	.	H	α-helix	trans	-58.1	-43.3	177.1	170.9	0	0	0	0	110.8	F167 Y200 T232 M233 T238 T366 I368	F167-V236 HydrophobicContact CE1-CB 4.49Å; F167-V236 HydrophobicContact CE1-CG2 4.37Å; F167-V236 HydrophobicContact CZ-CB 4.14Å; F167-V236 HydrophobicContact CZ-CG1 3.92Å; F167-V236 HydrophobicContact CZ-CG2 4.47Å; Y200-V236 HydrophobicContact CD1-CG1 4.46Å; Y200-V236 HydrophobicContact CD1-CG2 4.21Å; Y200-V236 HydrophobicContact CE1-CB 4.41Å; Y200-V236 HydrophobicContact CE1-CG1 3.61Å; Y200-V236 HydrophobicContact CE1-CG2 3.85Å; Y200-V236 HydrophobicContact CE2-CG1 4.17Å; Y200-V236 VanDerWaalsContact CZ-CG1 3.46Å; Y200-V236 WeakPolarHBondContact OH-CG1 3.35Å; T232-V236 HydrophobicContact CG2-CG2 4.32Å; T232-V236 WeakPolarHBondContact O-CG2 3.42Å; T232-V236 PolarHBondContact O-N 3.12Å; M233-V236 PolarHBondContact O-N 2.88Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 3.27Å; V236-T366 HydrophobicContact CG2-CG2 3.87Å; V236-I368 HydrophobicContact CB-CD1 4.43Å; V236-I368 HydrophobicContact CG1-CD1 4.1Å; V236-I368 HydrophobicContact CG2-CD1 3.99Å; V236-I368 HydrophobicContact CG2-CG1 4.06Å
237	T	93.5	Very high	86.7	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.3	-176.1	60.8	0	0	0	0	113.9	Y50 M233 S234 G235 S239 L240 R241	Y50-T237 HydrophobicContact CE2-CG2 4.48Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.47Å; M233-T237 WeakPolarHBondContact O-CB 3.19Å; M233-T237 VanDerWaalsContact O-CG2 3.27Å; M233-T237 WeakPolarHBondContact O-CG2 3.03Å; M233-T237 PolarHBondContact O-N 3.39Å; M233-T237 PolarHBondContact O-OG1 2.77Å; S234-T237 PolarHBondContact O-N 3.21Å; S234-T237 PolarHBondContact O-OG1 3.25Å; G235-T237 VanDerWaalsContact C-N 3.29Å; G235-T237 PolarHBondContact O-N 2.94Å; T237-S239 PolarHBondContact O-N 3.02Å; T237-L240 HydrophobicContact CG2-CD1 4.39Å; T237-L240 WeakPolarHBondContact O-CB 3.49Å; T237-L240 PolarHBondContact O-N 3.33Å; T237-R241 PolarHBondContact O-N 3.21Å; T237-R241 PolarHBondContact O-NE 2.84Å; T237-R241 PolarHBondContact OG1-NE 3.11Å
238	T	92	Very high	85.6	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-42	-174	-64.3	0	0	0	0	112.1	S234 G235 V236 L240 R241 F242 V316 R318 C354	S234-T238 PolarHBondContact O-N 2.82Å; S234-T238 VanDerWaalsContact O-N 3.08Å; S234-T238 PolarHBondContact O-OG1 3.46Å; G235-T238 WeakPolarHBondContact CA-OG1 3.45Å; G235-T238 VanDerWaalsContact O-CB 3.29Å; G235-T238 WeakPolarHBondContact O-CB 3.12Å; G235-T238 PolarHBondContact O-N 3.48Å; G235-T238 PolarHBondContact O-OG1 3.2Å; G235-T238 VanDerWaalsContact O-OG1 3.1Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 3.27Å; T238-L240 PolarHBondContact O-N 3.29Å; T238-R241 PolarHBondContact O-N 2.86Å; T238-F242 HydrophobicContact CG2-CD2 3.92Å; T238-F242 PolarHBondContact O-N 2.89Å; T238-V316 HydrophobicContact CG2-CG1 4.48Å; T238-R318 HydrophobicContact CG2-CG 4.14Å; T238-R318 WeakPolarHBondContact OG1-CD 3.5Å; T238-R318 PolarHBondContact OG1-NE 2.87Å; T238-R318 PolarHBondContact OG1-NH1 3Å; T238-C354 HydrophobicContact CG2-CB 3.57Å
239	S	87.7	Confident	85.1	Confident	4 Å²	4	15.2 Å²	15.2	3%	0.028	11%	0.105	C	C	.	.	H	α-helix	trans	-69	-18.3	-179	61.1	0	0	0	0	113.8	R46 T237 N247	R46-S239 PolarHBondContact NH1-O 3.48Å; T237-S239 PolarHBondContact O-N 3.02Å; S239-N247 WeakPolarHBondContact CB-O 3.45Å; S239-N247 PolarHBondContact OG-O 3.47Å
240	L	90.6	Very high	84.7	Confident	5 Å²	5	15.3 Å²	15.3	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-79.6	-41.4	174.3	-48.6	174.9	0	0	0	109.7	I4 R46 V49 T237 T238 L250	I4-L240 HydrophobicContact CD1-CD1 3.65Å; R46-L240 VanDerWaalsContact CD-O 3.25Å; R46-L240 WeakPolarHBondContact CD-O 3.28Å; V49-L240 HydrophobicContact CG1-CB 4.33Å; T237-L240 HydrophobicContact CG2-CD1 4.39Å; T237-L240 WeakPolarHBondContact O-CB 3.49Å; T237-L240 PolarHBondContact O-N 3.33Å; T238-L240 PolarHBondContact O-N 3.29Å; L240-L250 HydrophobicContact CD1-CD2 3.71Å; L240-L250 HydrophobicContact CD1-CG 4.19Å
241	R	91.8	Very high	84.5	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-86.7	-18.3	-172.6	-67.6	-177.9	-59	103.4	-2.9	115.3	E27 H28 R46 Y50 S234 T237 T238	E27-R241 IonicContact OE2-CZ 3.94Å; E27-R241 VanDerWaalsContact OE2-CZ 3.23Å; E27-R241 IonicContact OE2-NH1 3.55Å; E27-R241 PolarHBondContact OE2-NH1 3.26Å; E27-R241 IonicContact OE2-NH2 2.9Å; E27-R241 PolarHBondContact OE2-NH2 3.41Å; H28-R241 PolarHBondContact NE2-NH1 2.7Å; R46-R241 WeakPolarHBondContact CB-O 3.47Å; Y50-R241 HydrophobicContact CD2-CG 3.63Å; Y50-R241 HydrophobicContact CE2-CG 3.79Å; S234-R241 PolarHBondContact O-NH2 3.3Å; S234-R241 PolarHBondContact OG-NH2 2.84Å; S234-R241 VanDerWaalsContact OG-NH2 3.07Å; T237-R241 PolarHBondContact O-N 3.21Å; T237-R241 PolarHBondContact O-NE 2.84Å; T237-R241 PolarHBondContact OG1-NE 3.11Å; T238-R241 PolarHBondContact O-N 2.86Å
242	F	88.7	Confident	84.3	Confident	1 Å²	1	24.4 Å²	24.4	0%	0.004	14%	0.138	C	C	.	.	S	Bend	trans	-132.6	151.1	-177.7	-61.9	-62.1	0	0	0	112.6	E27 H28 R46 T238 I356	E27-F242 HydrophobicContact CB-CZ 4.19Å; H28-F242 AromaticContact CE1-CE1 3.69Å; H28-F242 AromaticContact CE1-CZ 3.86Å; H28-F242 AromaticContact ND1-CE1 3.96Å; R46-F242 PolarHBondContact NH1-O 3.41Å; R46-F242 VanDerWaalsContact NH1-O 3.1Å; T238-F242 HydrophobicContact CG2-CD2 3.92Å; T238-F242 PolarHBondContact O-N 2.89Å; F242-I356 HydrophobicContact CB-CD1 4.43Å; F242-I356 HydrophobicContact CD1-CD1 3.31Å; F242-I356 HydrophobicContact CD2-CD1 4.2Å; F242-I356 HydrophobicContact CE1-CD1 3.4Å; F242-I356 VanDerWaalsContact CE1-CD1 3.4Å; F242-I356 HydrophobicContact CE2-CD1 4.27Å; F242-I356 HydrophobicContact CE2-CG2 4.36Å; F242-I356 HydrophobicContact CG-CD1 3.73Å; F242-I356 HydrophobicContact CZ-CD1 3.9Å; F242-I356 HydrophobicContact CZ-CG2 4.26Å
243	P	78.7	Confident	84.1	Confident	40 Å²	40	24.6 Å²	24.6	26%	0.26	14%	0.139	S	C	.	.	S	Bend	trans	-65.4	161	-178.9	31.9	-42.8	0	0	0	114.4	L42 E45 Q245	L42-P243 HydrophobicContact CD2-CG 4.44Å; E45-P243 VanDerWaalsContact OE2-CB 3.25Å; E45-P243 WeakPolarHBondContact OE2-CB 3.24Å; E45-P243 WeakPolarHBondContact OE2-CD 3.49Å; E45-P243 WeakPolarHBondContact OE2-CG 3.25Å; P243-Q245 PolarHBondContact O-NE2 2.9Å
244	G	64.3	Low	83.9	Confident	68 Å²	68	25.2 Å²	25.2	70%	0.701	14%	0.144	S	C	*	.	S	Bend	trans	99.3	6.5	160	0	0	0	0	0	119
245	Q	62	Low	83.8	Confident	34 Å²	34	30.5 Å²	30.5	16%	0.159	18%	0.176	C	C	.	.			trans	-115.3	156	-165	-54	-48.4	-46	0	0	116.3	P243 N247 A352 V353	P243-Q245 PolarHBondContact O-NE2 2.9Å; Q245-N247 VanDerWaalsContact C-N 3.26Å; Q245-N247 PolarHBondContact O-N 3.19Å; Q245-A352 HydrophobicContact CB-CB 4.24Å; Q245-A352 HydrophobicContact CG-CB 4.48Å; Q245-V353 VanDerWaalsContact NE2-C 3.34Å; Q245-V353 PolarHBondContact NE2-O 3.07Å; Q245-V353 VanDerWaalsContact OE1-C 3.3Å; Q245-V353 PolarHBondContact OE1-O 3.12Å; Q245-V353 VanDerWaalsContact OE1-O 3.13Å
246	L	56.9	Low	83.7	Confident	90 Å²	90	32.5 Å²	32.5	47%	0.471	19%	0.186	S	C	.	.	S	Bend	trans	-64.9	-20.1	-176.5	-150.6	87.6	0	0	0	114.1	K252 K350	L246-K252 WeakPolarHBondContact O-CD 3.48Å; L246-K252 WeakPolarHBondContact O-CE 3.3Å; L246-K252 PolarHBondContact O-NZ 3.17Å; L246-K350 HydrophobicContact CD2-CD 4.17Å
247	N	61.4	Low	83.7	Confident	9 Å²	9	32.2 Å²	32.2	5%	0.048	19%	0.185	C	C	.	.			trans	-125.7	74.8	-179.6	-66.9	-27.4	0	0	0	111.3	S239 Q245 D249 L253 N256	S239-N247 WeakPolarHBondContact CB-O 3.45Å; S239-N247 PolarHBondContact OG-O 3.47Å; Q245-N247 VanDerWaalsContact C-N 3.26Å; Q245-N247 PolarHBondContact O-N 3.19Å; N247-D249 VanDerWaalsContact C-N 3.27Å; N247-D249 PolarHBondContact O-N 3Å; N247-L253 HydrophobicContact CB-CD1 4.39Å; N247-N256 PolarHBondContact OD1-ND2 3.02Å
248	A	71.8	Confident	83.9	Confident	25 Å²	25	33.4 Å²	33.4	21%	0.207	19%	0.192	C	C	.	.			trans	-79.3	-2.5	-171.2	0	0	0	0	0	115
249	D	84.3	Confident	84	Confident	19 Å²	19	35.3 Å²	35.3	10%	0.102	20%	0.204	C	C	.	.	S	Bend	trans	-152	159.8	-178.7	63.4	80.6	0	0	0	111.1	R2 N247 R251 K252 L253	R2-D249 IonicContact CZ-OD2 3.9Å; R2-D249 VanDerWaalsContact CZ-OD2 3.32Å; R2-D249 VanDerWaalsContact NH1-CB 3.28Å; R2-D249 VanDerWaalsContact NH1-CG 3.26Å; R2-D249 IonicContact NH1-OD2 2.7Å; R2-D249 PolarHBondContact NH1-OD2 3.11Å; R2-D249 IonicContact NH2-OD2 3.45Å; N247-D249 VanDerWaalsContact C-N 3.27Å; N247-D249 PolarHBondContact O-N 3Å; D249-R251 WeakPolarHBondContact OD1-CB 3.48Å; D249-R251 PolarHBondContact OD1-N 3.22Å; D249-R251 VanDerWaalsContact OD1-N 3.17Å; D249-K252 PolarHBondContact O-N 3.41Å; D249-K252 VanDerWaalsContact OD1-CB 3.28Å; D249-K252 WeakPolarHBondContact OD1-CB 3.34Å; D249-K252 PolarHBondContact OD1-N 3.19Å; D249-L253 PolarHBondContact O-N 2.92Å
250	L	88.5	Confident	84.4	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-43.2	-179.5	-70.9	174.2	0	0	0	111.5	I4 Q131 I163 L240 K252 L253 A254	I4-L250 HydrophobicContact CD1-CD1 3.81Å; I4-L250 HydrophobicContact CD1-CG 4.06Å; I4-L250 HydrophobicContact CG1-CD1 4Å; Q131-L250 VanDerWaalsContact OE1-N 3.12Å; I163-L250 HydrophobicContact CB-CB 4.02Å; I163-L250 HydrophobicContact CB-CD1 4.34Å; I163-L250 HydrophobicContact CG1-CB 4.13Å; I163-L250 HydrophobicContact CG2-CB 3.88Å; I163-L250 HydrophobicContact CG2-CD1 4.23Å; L240-L250 HydrophobicContact CD1-CD2 3.71Å; L240-L250 HydrophobicContact CD1-CG 4.19Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 3.08Å; L250-L253 WeakPolarHBondContact O-CA 3.46Å; L250-L253 WeakPolarHBondContact O-CB 3.31Å; L250-L253 PolarHBondContact O-N 3.34Å; L250-A254 PolarHBondContact O-N 3.47Å
251	R	91.9	Very high	84.7	Confident	124 Å²	124	40.7 Å²	40.7	47%	0.468	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-40	-178.2	-175	174.9	-56.4	-73.9	-4.5	112.3	D161 I163 D249 L253 A254 V255	D161-R251 PolarHBondContact O-NH2 3.06Å; I163-R251 HydrophobicContact CD1-CB 4.28Å; I163-R251 HydrophobicContact CD1-CG 4.47Å; I163-R251 HydrophobicContact CG1-CB 4.11Å; D249-R251 WeakPolarHBondContact OD1-CB 3.48Å; D249-R251 PolarHBondContact OD1-N 3.22Å; D249-R251 VanDerWaalsContact OD1-N 3.17Å; R251-L253 VanDerWaalsContact C-N 3.31Å; R251-A254 PolarHBondContact O-N 3.01Å; R251-V255 VanDerWaalsContact O-CG2 3.3Å; R251-V255 WeakPolarHBondContact O-CG2 3.03Å; R251-V255 PolarHBondContact O-N 3.4Å
252	K	90.8	Very high	84.9	Confident	85 Å²	85	43.6 Å²	43.6	37%	0.37	25%	0.25	S	C	.	.	H	α-helix	trans	-68.2	-33.8	176.7	-172.7	174	-173	-169.8	0	111.4	L246 D249 L250 N256	L246-K252 WeakPolarHBondContact O-CD 3.48Å; L246-K252 WeakPolarHBondContact O-CE 3.3Å; L246-K252 PolarHBondContact O-NZ 3.17Å; D249-K252 PolarHBondContact O-N 3.41Å; D249-K252 VanDerWaalsContact OD1-CB 3.28Å; D249-K252 WeakPolarHBondContact OD1-CB 3.34Å; D249-K252 PolarHBondContact OD1-N 3.19Å; L250-K252 VanDerWaalsContact C-N 3.3Å; L250-K252 PolarHBondContact O-N 3.08Å; K252-N256 VanDerWaalsContact O-CB 3.3Å; K252-N256 WeakPolarHBondContact O-CB 3.34Å; K252-N256 VanDerWaalsContact O-CG 3.25Å; K252-N256 PolarHBondContact O-N 3.01Å; K252-N256 VanDerWaalsContact O-N 3.15Å; K252-N256 PolarHBondContact O-ND2 2.77Å; K252-N256 VanDerWaalsContact O-ND2 3.09Å
253	L	90.8	Very high	85.3	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-51.7	172.3	-175.8	60.9	0	0	0	110	E198 Y200 N247 D249 L250 R251 V255 N256 M257	E198-L253 WeakPolarHBondContact OE1-CB 3.48Å; Y200-L253 WeakPolarHBondContact OH-CD2 3.4Å; N247-L253 HydrophobicContact CB-CD1 4.39Å; D249-L253 PolarHBondContact O-N 2.92Å; L250-L253 WeakPolarHBondContact O-CA 3.46Å; L250-L253 WeakPolarHBondContact O-CB 3.31Å; L250-L253 PolarHBondContact O-N 3.34Å; R251-L253 VanDerWaalsContact C-N 3.31Å; L253-V255 PolarHBondContact O-N 2.81Å; L253-N256 PolarHBondContact O-N 3.48Å; L253-N256 VanDerWaalsContact O-N 3.14Å; L253-M257 HydrophobicContact CD1-CG 3.67Å; L253-M257 HydrophobicContact CG-CG 4.29Å; L253-M257 VanDerWaalsContact O-CB 3.24Å; L253-M257 WeakPolarHBondContact O-CB 3.3Å; L253-M257 VanDerWaalsContact O-CG 3.24Å; L253-M257 WeakPolarHBondContact O-CG 3.31Å; L253-M257 PolarHBondContact O-N 2.8Å
254	A	93.2	Very high	86.3	Confident	12 Å²	12	41.8 Å²	41.8	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-52.8	-54.3	175	0	0	0	0	0	112.4	I163 E198 L250 R251 N256 M257 V258	I163-A254 HydrophobicContact CD1-CB 4.44Å; E198-A254 HydrophobicContact CG-CB 4.13Å; E198-A254 WeakPolarHBondContact OE1-CA 3.25Å; E198-A254 WeakPolarHBondContact OE1-CB 3.28Å; E198-A254 PolarHBondContact OE1-N 3.21Å; L250-A254 PolarHBondContact O-N 3.47Å; R251-A254 PolarHBondContact O-N 3.01Å; A254-N256 PolarHBondContact O-N 2.97Å; A254-M257 PolarHBondContact O-N 2.84Å; A254-V258 WeakPolarHBondContact O-CB 3.32Å; A254-V258 PolarHBondContact O-N 3.26Å
255	V	93.1	Very high	87.9	Confident	111 Å²	111	38.6 Å²	38.6	67%	0.673	20%	0.204	S	C	*	.	H	α-helix	trans	-58.6	-33.5	179.6	169.8	0	0	0	0	112.8	R251 L253	R251-V255 VanDerWaalsContact O-CG2 3.3Å; R251-V255 WeakPolarHBondContact O-CG2 3.03Å; R251-V255 PolarHBondContact O-N 3.4Å; L253-V255 PolarHBondContact O-N 2.81Å
256	N	92.1	Very high	89.6	Confident	42 Å²	42	37 Å²	37	23%	0.225	20%	0.197	C	C	.	.	H	α-helix	trans	-83.2	-21.2	179.6	-77.4	-33.1	0	0	0	113.6	N247 K252 L253 A254 K350	N247-N256 PolarHBondContact OD1-ND2 3.02Å; K252-N256 VanDerWaalsContact O-CB 3.3Å; K252-N256 WeakPolarHBondContact O-CB 3.34Å; K252-N256 VanDerWaalsContact O-CG 3.25Å; K252-N256 PolarHBondContact O-N 3.01Å; K252-N256 VanDerWaalsContact O-N 3.15Å; K252-N256 PolarHBondContact O-ND2 2.77Å; K252-N256 VanDerWaalsContact O-ND2 3.09Å; L253-N256 PolarHBondContact O-N 3.48Å; L253-N256 VanDerWaalsContact O-N 3.14Å; A254-N256 PolarHBondContact O-N 2.97Å; N256-K350 HydrophobicContact CB-CG 4.36Å
257	M	94.7	Very high	91.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-113.1	-23.7	-169	-67.3	-59.2	-62.6	0	0	113.6	L253 A254 P259 F266 T312 A314 I368 N370	L253-M257 HydrophobicContact CD1-CG 3.67Å; L253-M257 HydrophobicContact CG-CG 4.29Å; L253-M257 VanDerWaalsContact O-CB 3.24Å; L253-M257 WeakPolarHBondContact O-CB 3.3Å; L253-M257 VanDerWaalsContact O-CG 3.24Å; L253-M257 WeakPolarHBondContact O-CG 3.31Å; L253-M257 PolarHBondContact O-N 2.8Å; A254-M257 PolarHBondContact O-N 2.84Å; M257-P259 VanDerWaalsContact O-CD 3.32Å; M257-P259 WeakPolarHBondContact O-CD 3.43Å; M257-F266 HydrophobicContact CB-CE1 3.72Å; M257-F266 HydrophobicContact CB-CZ 3.61Å; M257-F266 HydrophobicContact CE-CE1 4.49Å; M257-T312 WeakPolarHBondContact CA-OG1 3.37Å; M257-T312 VanDerWaalsContact CE-OG1 3.31Å; M257-T312 WeakPolarHBondContact CE-OG1 3.21Å; M257-T312 PolarHBondContact O-OG1 3.37Å; M257-A314 HydrophobicContact CE-CB 3.95Å; M257-A314 HydrophobicContact CG-CB 4.48Å; M257-A314 HydrophobicContact SD-CB 3.48Å; M257-A314 WeakPolarHBondContact SD-CB 3.34Å; M257-I368 HydrophobicContact CE-CB 4.31Å; M257-I368 HydrophobicContact CE-CG2 3.93Å; M257-I368 WeakPolarHBondContact CE-O 3.32Å; M257-N370 PolarHBondContact O-ND2 3.28Å
258	V	96.5	Very high	93.2	Very high	24 Å²	24	32.2 Å²	32.2	15%	0.145	17%	0.172	C	C	.	.			trans	-114.7	93.5	-174.7	-174.2	0	0	0	0	108.6	A254 F260 H264 F266	A254-V258 WeakPolarHBondContact O-CB 3.32Å; A254-V258 PolarHBondContact O-N 3.26Å; V258-F260 WeakPolarHBondContact CG1-O 3.31Å; V258-H264 HydrophobicContact CG1-CB 3.92Å; V258-H264 HydrophobicContact CG2-CB 3.98Å; V258-F266 HydrophobicContact CG2-CE1 3.97Å; V258-F266 HydrophobicContact CG2-CZ 3.51Å
259	P	94.8	Very high	94.3	Very high	41 Å²	41	31.1 Å²	31.1	27%	0.266	16%	0.163	S	C	.	.	S	Bend	trans	-70.1	-33.9	176.7	27.1	-32.9	0	0	0	112.2	M257 L311 I345	M257-P259 VanDerWaalsContact O-CD 3.32Å; M257-P259 WeakPolarHBondContact O-CD 3.43Å; P259-L311 HydrophobicContact CG-CB 4.18Å; P259-L311 HydrophobicContact CG-CD1 4.18Å; P259-I345 HydrophobicContact CB-CD1 3.8Å; P259-I345 HydrophobicContact CG-CD1 3.76Å
260	F	96.1	Very high	94.9	Very high	9 Å²	9	30.9 Å²	30.9	4%	0.039	16%	0.161	C	C	.	.	S	Bend	trans	-125.4	132.3	-179.5	-58.2	-75.1	0	0	0	109.6	V258 R262 L263 W344 Y425 Y437 D440	V258-F260 WeakPolarHBondContact CG1-O 3.31Å; F260-R262 VanDerWaalsContact C-N 3.29Å; F260-R262 PolarHBondContact O-N 2.77Å; F260-R262 VanDerWaalsContact O-N 3.15Å; F260-L263 HydrophobicContact CB-CB 4.26Å; F260-L263 HydrophobicContact CB-CD1 3.99Å; F260-L263 HydrophobicContact CB-CD2 4.5Å; F260-L263 HydrophobicContact CB-CG 4.45Å; F260-L263 HydrophobicContact CD2-CD2 4.25Å; F260-L263 PolarHBondContact O-N 3.15Å; F260-W344 AromaticContact CE2-CH2 3.72Å; F260-W344 HydrophobicContact CE2-CH2 3.72Å; F260-W344 AromaticContact CE2-CZ3 3.86Å; F260-W344 HydrophobicContact CE2-CZ3 3.86Å; F260-W344 HydrophobicContact CZ-CH2 4.39Å; F260-W344 HydrophobicContact CZ-CZ3 4.21Å; F260-Y425 AromaticContact CD1-CE1 3.85Å; F260-Y425 HydrophobicContact CD1-CE1 3.85Å; F260-Y425 HydrophobicContact CD1-CE2 4.41Å; F260-Y425 AromaticContact CD1-CZ 3.58Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.42Å; F260-Y425 AromaticContact CD2-CD1 3.97Å; F260-Y425 HydrophobicContact CD2-CD1 3.97Å; F260-Y425 HydrophobicContact CD2-CD2 4.27Å; F260-Y425 AromaticContact CD2-CE1 3.7Å; F260-Y425 HydrophobicContact CD2-CE1 3.7Å; F260-Y425 HydrophobicContact CD2-CE2 4.04Å; F260-Y425 HydrophobicContact CD2-CG 4.24Å; F260-Y425 AromaticContact CD2-CZ 3.74Å; F260-Y425 HydrophobicContact CE1-CD1 4.39Å; F260-Y425 AromaticContact CE1-CE1 3.41Å; F260-Y425 HydrophobicContact CE1-CE1 3.41Å; F260-Y425 VanDerWaalsContact CE1-CE1 3.41Å; F260-Y425 AromaticContact CE1-CZ 3.64Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.46Å; F260-Y425 AromaticContact CE2-CD1 3.42Å; F260-Y425 HydrophobicContact CE2-CD1 3.42Å; F260-Y425 VanDerWaalsContact CE2-CD1 3.42Å; F260-Y425 AromaticContact CE2-CE1 3.26Å; F260-Y425 HydrophobicContact CE2-CE1 3.26Å; F260-Y425 HydrophobicContact CE2-CE2 4.41Å; F260-Y425 HydrophobicContact CE2-CG 4.08Å; F260-Y425 AromaticContact CE2-CZ 3.81Å; F260-Y425 AromaticContact CG-CE1 3.99Å; F260-Y425 HydrophobicContact CG-CE1 3.99Å; F260-Y425 HydrophobicContact CG-CE2 4.06Å; F260-Y425 AromaticContact CG-CZ 3.64Å; F260-Y425 AromaticContact CZ-CD1 3.68Å; F260-Y425 HydrophobicContact CZ-CD1 3.68Å; F260-Y425 AromaticContact CZ-CE1 3.11Å; F260-Y425 HydrophobicContact CZ-CE1 3.11Å; F260-Y425 AromaticContact CZ-CZ 3.78Å; F260-Y437 HydrophobicContact CE1-CE1 4.16Å; F260-Y437 HydrophobicContact CZ-CE1 4.25Å; F260-D440 WeakPolarHBondContact CD1-OD2 3.48Å; F260-D440 WeakPolarHBondContact CE1-OD2 3.36Å
261	P	95.3	Very high	95.3	Very high	112 Å²	112	30.8 Å²	30.8	73%	0.727	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-43.6	-171.5	-30.4	35.7	0	0	0	114	L263 H264	P261-L263 VanDerWaalsContact C-N 3.29Å; P261-L263 PolarHBondContact O-N 3.23Å; P261-H264 PolarHBondContact O-CD2 2.95Å
262	R	97.2	Very high	95.4	Very high	62 Å²	62	25.5 Å²	25.5	23%	0.234	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.1	-178.2	-68.7	172.8	58	95.3	-6.1	113.7	V193 E194 F260 H264 N414 L418 E421	V193-R262 HydrophobicContact CG1-CG 4.25Å; E194-R262 IonicContact OE1-NH1 3Å; E194-R262 PolarHBondContact OE1-NH1 2.78Å; F260-R262 VanDerWaalsContact C-N 3.29Å; F260-R262 PolarHBondContact O-N 2.77Å; F260-R262 VanDerWaalsContact O-N 3.15Å; R262-H264 VanDerWaalsContact C-N 3.29Å; R262-H264 PolarHBondContact O-N 3.31Å; R262-N414 PolarHBondContact NH1-OD1 3.05Å; R262-N414 PolarHBondContact NH2-OD1 3.17Å; R262-L418 HydrophobicContact CB-CD1 4.22Å; R262-L418 WeakPolarHBondContact O-CD1 3.44Å; R262-E421 WeakPolarHBondContact CB-OE2 3.42Å; R262-E421 WeakPolarHBondContact CD-OE2 3.35Å; R262-E421 IonicContact CZ-OE1 2.87Å; R262-E421 IonicContact NE-OE1 2.98Å; R262-E421 PolarHBondContact NE-OE1 3.47Å; R262-E421 IonicContact NE-OE2 3.21Å; R262-E421 PolarHBondContact NE-OE2 3.09Å; R262-E421 IonicContact NH2-OE1 2.74Å; R262-E421 PolarHBondContact NH2-OE1 3.25Å
263	L	97.7	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.127	C	C	.	.			trans	-95.6	49.5	-176.9	-71.6	66.5	0	0	0	110.9	F260 P261 L311 N370 E421 Y422 Y425	F260-L263 HydrophobicContact CB-CB 4.26Å; F260-L263 HydrophobicContact CB-CD1 3.99Å; F260-L263 HydrophobicContact CB-CD2 4.5Å; F260-L263 HydrophobicContact CB-CG 4.45Å; F260-L263 HydrophobicContact CD2-CD2 4.25Å; F260-L263 PolarHBondContact O-N 3.15Å; P261-L263 VanDerWaalsContact C-N 3.29Å; P261-L263 PolarHBondContact O-N 3.23Å; L263-L311 HydrophobicContact CB-CD1 4.32Å; L263-L311 HydrophobicContact CD2-CD1 3.76Å; L263-N370 PolarHBondContact O-ND2 3.47Å; L263-E421 HydrophobicContact CD1-CB 4.3Å; L263-Y422 WeakPolarHBondContact CA-OH 3.38Å; L263-Y422 HydrophobicContact CB-CE1 3.82Å; L263-Y422 HydrophobicContact CD2-CD1 3.7Å; L263-Y422 HydrophobicContact CD2-CE1 3.78Å; L263-Y422 HydrophobicContact CD2-CG 4.39Å; L263-Y422 HydrophobicContact CG-CD1 3.85Å; L263-Y422 HydrophobicContact CG-CE1 3.54Å; L263-Y422 HydrophobicContact CG-CE2 4.22Å; L263-Y422 HydrophobicContact CG-CG 4.36Å; L263-Y425 HydrophobicContact CD1-CD2 4.38Å; L263-Y425 HydrophobicContact CD1-CE2 4.19Å; L263-Y425 HydrophobicContact CD2-CD2 3.48Å; L263-Y425 VanDerWaalsContact CD2-CD2 3.48Å; L263-Y425 HydrophobicContact CD2-CE2 4.02Å; L263-Y425 HydrophobicContact CD2-CG 4.18Å
264	H	97.8	Very high	95.5	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	13%	0.129	C	C	.	.			trans	-97.7	11.8	-176.7	61.8	57.2	0	0	0	114.8	L192 V193 T196 D197 T199 V258 P261 R262	L192-H264 PolarHBondContact O-CE1 2.99Å; L192-H264 VanDerWaalsContact O-CE1 3.27Å; L192-H264 PolarHBondContact O-NE2 2.87Å; V193-H264 PolarHBondContact O-NE2 2.94Å; T196-H264 PolarHBondContact O-CD2 3.09Å; T196-H264 PolarHBondContact O-NE2 3.06Å; T196-H264 VanDerWaalsContact O-NE2 3.15Å; T196-H264 PolarHBondContact OG1-CE1 3.44Å; T196-H264 PolarHBondContact OG1-NE2 2.73Å; D197-H264 VanDerWaalsContact O-CB 3.25Å; D197-H264 WeakPolarHBondContact O-CB 3.42Å; T199-H264 PolarHBondContact N-O 3.22Å; V258-H264 HydrophobicContact CG1-CB 3.92Å; V258-H264 HydrophobicContact CG2-CB 3.98Å; P261-H264 PolarHBondContact O-CD2 2.95Å; R262-H264 VanDerWaalsContact C-N 3.29Å; R262-H264 PolarHBondContact O-N 3.31Å
265	F	98.4	Very high	95.3	Very high	1 Å²	1	22 Å²	22	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117	-177.3	-63.4	-95.5	0	0	0	111.4	L192 V193 T199 I374 F378 L418	L192-F265 HydrophobicContact CB-CE1 4.24Å; L192-F265 HydrophobicContact CB-CZ 4.25Å; V193-F265 HydrophobicContact CG2-CE2 3.88Å; V193-F265 HydrophobicContact CG2-CZ 3.75Å; T199-F265 HydrophobicContact CG2-CD1 3.49Å; T199-F265 VanDerWaalsContact CG2-CD1 3.49Å; T199-F265 HydrophobicContact CG2-CE1 3.7Å; T199-F265 CarbonylContact O-C 3.03Å; T199-F265 WeakPolarHBondContact O-CA 3.12Å; F265-I374 HydrophobicContact CB-CG1 4.08Å; F265-F378 HydrophobicContact CB-CZ 4.09Å; F265-F378 HydrophobicContact CD1-CE1 4.23Å; F265-F378 AromaticContact CD1-CZ 3.76Å; F265-F378 HydrophobicContact CD1-CZ 3.76Å; F265-F378 HydrophobicContact CD2-CE2 4.45Å; F265-F378 AromaticContact CD2-CZ 3.92Å; F265-F378 HydrophobicContact CD2-CZ 3.92Å; F265-F378 HydrophobicContact CE1-CE1 4.31Å; F265-F378 HydrophobicContact CE1-CZ 4.1Å; F265-F378 HydrophobicContact CE2-CZ 4.24Å; F265-F378 HydrophobicContact CG-CE2 4.47Å; F265-F378 AromaticContact CG-CZ 3.65Å; F265-F378 HydrophobicContact CG-CZ 3.65Å; F265-F378 HydrophobicContact CZ-CZ 4.33Å; F265-L418 HydrophobicContact CD2-CD2 4.46Å; F265-L418 HydrophobicContact CE2-CD1 4.48Å; F265-L418 HydrophobicContact CE2-CD2 3.91Å; F265-L418 HydrophobicContact CZ-CD2 4.4Å
266	F	97.8	Very high	94.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.5	-177	-55	-46.7	0	0	0	112.7	E198 T199 Y200 C201 M257 V258 P268 I368 G369 N370	E198-F266 HydrophobicContact CB-CD2 4.49Å; E198-F266 HydrophobicContact CB-CE2 3.78Å; E198-F266 HydrophobicContact CG-CE2 3.85Å; E198-F266 HydrophobicContact CG-CZ 4.4Å; T199-F266 PolarHBondContact O-N 2.87Å; Y200-F266 HydrophobicContact CD1-CB 4.09Å; Y200-F266 HydrophobicContact CD1-CD2 4.11Å; Y200-F266 HydrophobicContact CD2-CD2 4.34Å; Y200-F266 HydrophobicContact CE1-CB 4.33Å; Y200-F266 AromaticContact CE1-CD2 3.78Å; Y200-F266 HydrophobicContact CE1-CD2 3.78Å; Y200-F266 HydrophobicContact CE1-CG 4.45Å; Y200-F266 AromaticContact CE2-CD2 3.98Å; Y200-F266 HydrophobicContact CE2-CD2 3.98Å; Y200-F266 HydrophobicContact CE2-CE2 4.37Å; Y200-F266 HydrophobicContact CG-CD2 4.38Å; Y200-F266 AromaticContact CZ-CD2 3.69Å; C201-F266 WeakPolarHBondContact CB-O 3.31Å; C201-F266 PolarHBondContact N-O 3.29Å; M257-F266 HydrophobicContact CB-CE1 3.72Å; M257-F266 HydrophobicContact CB-CZ 3.61Å; M257-F266 HydrophobicContact CE-CE1 4.49Å; V258-F266 HydrophobicContact CG2-CE1 3.97Å; V258-F266 HydrophobicContact CG2-CZ 3.51Å; F266-P268 VanDerWaalsContact O-CD 3.31Å; F266-P268 WeakPolarHBondContact O-CD 3.13Å; F266-I368 HydrophobicContact CB-CG2 3.81Å; F266-I368 HydrophobicContact CD1-CG2 4.23Å; F266-I368 HydrophobicContact CD2-CG2 4.09Å; F266-I368 HydrophobicContact CG-CG2 3.78Å; F266-G369 WeakPolarHBondContact CA-O 3.33Å; F266-N370 HydrophobicContact CD1-CB 3.84Å; F266-N370 HydrophobicContact CE1-CB 3.92Å
267	M	96.6	Very high	94.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	102.9	166.2	-64.4	-171.7	-73.2	0	0	109.5	A301 C303 P305 Y310 G369 S371 A373 I374	M267-A301 HydrophobicContact CB-CB 4.24Å; M267-A301 HydrophobicContact CG-CB 3.72Å; M267-A301 HydrophobicContact SD-CB 4.21Å; M267-C303 HydrophobicContact SD-CB 3.66Å; M267-P305 HydrophobicContact CE-CG 4.42Å; M267-Y310 HydrophobicContact CE-CE1 4.43Å; M267-G369 PolarHBondContact N-O 2.81Å; M267-G369 PolarHBondContact O-N 3.38Å; M267-S371 VanDerWaalsContact CE-CB 3.45Å; M267-A373 HydrophobicContact CE-CB 4.49Å; M267-I374 HydrophobicContact CG-CD1 3.75Å; M267-I374 HydrophobicContact SD-CD1 4.45Å
268	P	97.1	Very high	93.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	157.4	177.8	34	-31.8	0	0	0	111.6	Y200 C201 I202 T232 F266 M300 F367	Y200-P268 HydrophobicContact CD1-CB 4.23Å; C201-P268 WeakPolarHBondContact O-CD 3.43Å; I202-P268 HydrophobicContact CG1-CG 4.31Å; T232-P268 HydrophobicContact CG2-CB 3.63Å; T232-P268 HydrophobicContact CG2-CG 4.31Å; F266-P268 VanDerWaalsContact O-CD 3.31Å; F266-P268 WeakPolarHBondContact O-CD 3.13Å; P268-M300 HydrophobicContact CG-CB 4.17Å; P268-M300 WeakPolarHBondContact O-CB 3.22Å; P268-M300 PolarHBondContact O-N 3.24Å; P268-F367 CarbonylContact C-O 3.56Å; P268-F367 VanDerWaalsContact CA-O 3.23Å; P268-F367 WeakPolarHBondContact CA-O 3.39Å
269	G	96.1	Very high	92.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	159.1	175	0	0	0	0	0	111.3	T366 F367	G269-T366 WeakPolarHBondContact O-CA 3.43Å; G269-F367 PolarHBondContact N-O 2.92Å; G269-F367 PolarHBondContact O-N 3.32Å
270	F	96.5	Very high	92.1	Very high	14 Å²	14	39.8 Å²	39.8	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.3	178.4	-176.9	-90.9	0	0	0	110.3	L228 A231 L273 M300 L361	L228-F270 HydrophobicContact CD1-CB 4.33Å; A231-F270 HydrophobicContact CB-CD2 4.11Å; A231-F270 HydrophobicContact CB-CE2 3.92Å; A231-F270 HydrophobicContact CB-CG 4.5Å; A231-F270 HydrophobicContact CB-CZ 4.14Å; F270-L273 HydrophobicContact CD1-CD2 4.32Å; F270-L273 WeakPolarHBondContact O-CD1 3.39Å; F270-L273 VanDerWaalsContact O-CG 3.28Å; F270-L273 WeakPolarHBondContact O-CG 3.18Å; F270-M300 HydrophobicContact CB-CE 3.82Å; F270-L361 HydrophobicContact CE1-CD1 4.36Å; F270-L361 HydrophobicContact CZ-CD1 3.93Å
271	A	96.3	Very high	91.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.6	169.1	0	0	0	0	0	109.8	L289 Q292 M293 S364 S365	A271-L289 HydrophobicContact CB-CD2 3.95Å; A271-Q292 HydrophobicContact CB-CB 3.74Å; A271-M293 HydrophobicContact CB-CG 4.33Å; A271-S364 CarbonylContact O-C 3.56Å; A271-S364 VanDerWaalsContact O-CA 3.27Å; A271-S364 WeakPolarHBondContact O-CA 3.42Å; A271-S364 VanDerWaalsContact O-CB 3.26Å; A271-S364 WeakPolarHBondContact O-CB 3.5Å; A271-S365 PolarHBondContact N-O 2.51Å; A271-S365 PolarHBondContact O-N 3.08Å; A271-S365 VanDerWaalsContact O-O 3.1Å
272	P	95.2	Very high	90.4	Very high	14 Å²	14	48.3 Å²	48.3	9%	0.091	23%	0.229	C	C	.	.			cis	-83.1	142.8	4.7	33.5	-35.4	0	0	0	113.4	L284 L289 L361	P272-L284 HydrophobicContact CB-CD2 3.43Å; P272-L284 VanDerWaalsContact CB-CD2 3.43Å; P272-L284 HydrophobicContact CG-CD1 3.87Å; P272-L284 HydrophobicContact CG-CD2 3.64Å; P272-L284 HydrophobicContact CG-CG 4.43Å; P272-L289 HydrophobicContact CB-CD2 4Å; P272-L289 HydrophobicContact CG-CD2 4.35Å; P272-L361 HydrophobicContact CG-CD2 4.4Å
273	L	93.4	Very high	89.8	Confident	8 Å²	8	49.1 Å²	49.1	4%	0.042	25%	0.25	C	C	.	.			trans	-104.9	86.7	166.7	-65.3	170	0	0	0	108.6	I210 T214 L215 L228 F270 N298	I210-L273 HydrophobicContact CG2-CD1 3.78Å; I210-L273 HydrophobicContact CG2-CD2 3.93Å; I210-L273 HydrophobicContact CG2-CG 4.39Å; T214-L273 HydrophobicContact CG2-CB 3.69Å; L215-L273 HydrophobicContact CD2-CB 4.14Å; L215-L273 HydrophobicContact CD2-CD2 4.21Å; L228-L273 HydrophobicContact CD1-CD2 3.65Å; F270-L273 HydrophobicContact CD1-CD2 4.32Å; F270-L273 WeakPolarHBondContact O-CD1 3.39Å; F270-L273 VanDerWaalsContact O-CG 3.28Å; F270-L273 WeakPolarHBondContact O-CG 3.18Å; L273-N298 HydrophobicContact CD1-CB 3.64Å
274	T	89.9	Confident	89.4	Confident	13 Å²	13	51.5 Å²	51.5	8%	0.08	26%	0.262	C	S	.	.			trans	-121.4	123.8	-179	-61.8	0	0	0	0	110.7	Q279 R282	T274-Q279 HydrophobicContact CG2-CG 3.88Å; T274-Q279 PolarHBondContact O-NE2 2.81Å; T274-Q279 VanDerWaalsContact O-NE2 3.15Å; T274-R282 PolarHBondContact OG1-NH1 3.21Å
275	A	87.9	Confident	89.2	Confident	9 Å²	9	54.3 Å²	54.3	7%	0.074	28%	0.279	C	S	.	.			trans	-53.8	140.7	174.9	0	0	0	0	0	111.9	L215 K216 G277 S278 Q279	L215-A275 WeakPolarHBondContact O-CB 3.4Å; K216-A275 HydrophobicContact CB-CB 4.14Å; K216-A275 HydrophobicContact CD-CB 4.04Å; K216-A275 HydrophobicContact CG-CB 4.04Å; A275-G277 VanDerWaalsContact C-N 3.27Å; A275-G277 PolarHBondContact O-N 3.46Å; A275-G277 VanDerWaalsContact O-N 3.12Å; A275-S278 PolarHBondContact O-N 2.76Å; A275-Q279 PolarHBondContact O-N 2.95Å
276	R	82.3	Confident	89.1	Confident	192 Å²	192	54.4 Å²	54.4	73%	0.725	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-50.8	-42.2	-173.6	-66.6	-176.9	-178.1	175.5	3.7	113.6	S278 Q279	R276-S278 PolarHBondContact O-N 2.88Å; R276-Q279 PolarHBondContact O-N 3.38Å
277	G	80.6	Confident	89	Confident	62 Å²	62	56.6 Å²	56.6	64%	0.639	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-69	-17	179.5	0	0	0	0	0	115	A275 Y281	A275-G277 VanDerWaalsContact C-N 3.27Å; A275-G277 PolarHBondContact O-N 3.46Å; A275-G277 VanDerWaalsContact O-N 3.12Å; G277-Y281 WeakPolarHBondContact O-CD2 3.27Å; G277-Y281 WeakPolarHBondContact O-CE2 3.18Å
278	S	83	Confident	88.8	Confident	51 Å²	51	57.9 Å²	57.9	36%	0.357	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-101	-14.5	-179	-65.1	0	0	0	0	113.4	A275 R276 Q280 Y281 R282	A275-S278 PolarHBondContact O-N 2.76Å; R276-S278 PolarHBondContact O-N 2.88Å; S278-Q280 VanDerWaalsContact C-N 3.32Å; S278-Q280 PolarHBondContact O-N 2.93Å; S278-Y281 PolarHBondContact O-N 3.41Å; S278-Y281 VanDerWaalsContact O-N 3.13Å; S278-R282 PolarHBondContact O-N 2.74Å
279	Q	79.1	Confident	88.8	Confident	108 Å²	108	57.9 Å²	57.9	51%	0.505	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-58.9	-38.8	-175.2	-72.1	-179.6	-7.1	0	0	113.3	T274 A275 R276 Y281	T274-Q279 HydrophobicContact CG2-CG 3.88Å; T274-Q279 PolarHBondContact O-NE2 2.81Å; T274-Q279 VanDerWaalsContact O-NE2 3.15Å; A275-Q279 PolarHBondContact O-N 2.95Å; R276-Q279 PolarHBondContact O-N 3.38Å; Q279-Y281 PolarHBondContact O-N 2.71Å
280	Q	78.9	Confident	88.8	Confident	177 Å²	177	58 Å²	58	83%	0.827	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-70.3	-19.4	-178.8	-65.2	-179	-1.1	0	0	113.6	S278	S278-Q280 VanDerWaalsContact C-N 3.32Å; S278-Q280 PolarHBondContact O-N 2.93Å
281	Y	79.3	Confident	88.7	Confident	196 Å²	196	63.7 Å²	63.7	77%	0.769	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-102	-1.5	-174.9	-56.6	-75	0	0	0	113	G277 S278 Q279	G277-Y281 WeakPolarHBondContact O-CD2 3.27Å; G277-Y281 WeakPolarHBondContact O-CE2 3.18Å; S278-Y281 PolarHBondContact O-N 3.41Å; S278-Y281 VanDerWaalsContact O-N 3.13Å; Q279-Y281 PolarHBondContact O-N 2.71Å
282	R	78.2	Confident	88.7	Confident	104 Å²	104	64.4 Å²	64.4	39%	0.392	33%	0.331	S	S	.	.			trans	-114.4	126.3	-172.3	-158.4	170.2	-169.8	-176.3	-2.4	111	T274 S278 E288	T274-R282 PolarHBondContact OG1-NH1 3.21Å; S278-R282 PolarHBondContact O-N 2.74Å; R282-E288 WeakPolarHBondContact CD-OE1 3.38Å; R282-E288 IonicContact CZ-OE1 3.84Å; R282-E288 IonicContact CZ-OE2 2.77Å; R282-E288 IonicContact NE-OE1 3.82Å; R282-E288 PolarHBondContact NE-OE1 2.97Å; R282-E288 IonicContact NE-OE2 3.59Å; R282-E288 PolarHBondContact NE-OE2 3.07Å; R282-E288 IonicContact NH1-OE1 3.59Å; R282-E288 IonicContact NH2-OE1 3.93Å; R282-E288 PolarHBondContact NH2-OE1 3.12Å; R282-E288 VanDerWaalsContact NH2-OE1 3.17Å; R282-E288 IonicContact NH2-OE2 3.13Å
283	A	82.7	Confident	88.7	Confident	80 Å²	80	63.9 Å²	63.9	66%	0.661	33%	0.327	S	S	*	.			trans	-89.9	112.5	170.1	0	0	0	0	0	108.8
284	L	89.8	Confident	88.7	Confident	50 Å²	50	64.6 Å²	64.6	26%	0.262	33%	0.33	S	S	.	.			trans	-68.5	132.3	175.5	-66.6	170.1	0	0	0	110	P272 M363	P272-L284 HydrophobicContact CB-CD2 3.43Å; P272-L284 VanDerWaalsContact CB-CD2 3.43Å; P272-L284 HydrophobicContact CG-CD1 3.87Å; P272-L284 HydrophobicContact CG-CD2 3.64Å; P272-L284 HydrophobicContact CG-CG 4.43Å; L284-M363 HydrophobicContact CB-CG 3.81Å; L284-M363 HydrophobicContact CB-SD 3.93Å; L284-M363 HydrophobicContact CD1-CG 4.39Å
285	T	94	Very high	88.9	Confident	60 Å²	60	67.1 Å²	67.1	37%	0.368	34%	0.343	S	S	.	.			trans	-139.7	159.8	-179.9	62.6	0	0	0	0	110.2	E288 L289	T285-E288 PolarHBondContact O-N 3.41Å; T285-E288 WeakPolarHBondContact OG1-CB 3.32Å; T285-E288 PolarHBondContact OG1-N 3.35Å; T285-L289 WeakPolarHBondContact O-CG 3.39Å; T285-L289 PolarHBondContact O-N 3.26Å
286	V	95.6	Very high	89.1	Confident	3 Å²	3	68 Å²	68	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-58	-47.8	177.6	177.3	0	0	0	0	111.9	E288 L289 T290 F317 M321 E325 V326 Q329 M363	V286-E288 VanDerWaalsContact C-N 3.26Å; V286-E288 PolarHBondContact O-N 3Å; V286-L289 PolarHBondContact O-N 3.14Å; V286-T290 PolarHBondContact O-N 3.17Å; V286-T290 PolarHBondContact O-OG1 2.9Å; V286-F317 HydrophobicContact CG1-CE1 4.05Å; V286-M321 HydrophobicContact CG2-CB 4.07Å; V286-M321 HydrophobicContact CG2-CG 4.41Å; V286-M321 HydrophobicContact CG2-SD 3.87Å; V286-E325 HydrophobicContact CB-CG 4.08Å; V286-E325 HydrophobicContact CG1-CG 4.34Å; V286-E325 HydrophobicContact CG2-CG 4.35Å; V286-V326 HydrophobicContact CG1-CB 4.33Å; V286-V326 HydrophobicContact CG1-CG2 3.84Å; V286-V326 HydrophobicContact CG2-CG2 4.16Å; V286-Q329 HydrophobicContact CG1-CB 4.23Å; V286-Q329 HydrophobicContact CG1-CG 4.03Å; V286-M363 HydrophobicContact CG2-CE 3.83Å
287	P	95.6	Very high	89.6	Confident	46 Å²	46	66.3 Å²	66.3	30%	0.299	35%	0.348	S	S	.	.	H	α-helix	trans	-57.8	-38	176.8	-23.6	32.9	0	0	0	113.3	Q291 Q329	P287-Q291 WeakPolarHBondContact O-CB 3.24Å; P287-Q291 PolarHBondContact O-N 3.29Å; P287-Q329 HydrophobicContact CB-CG 4.32Å; P287-Q329 HydrophobicContact CG-CG 3.92Å
288	E	94.1	Very high	90.2	Very high	27 Å²	27	63.7 Å²	63.7	13%	0.126	32%	0.32	C	S	.	.	H	α-helix	trans	-67.5	-44	178.6	-170.7	-170.3	125.6	0	0	112	R282 T285 V286 Q291 Q292	R282-E288 WeakPolarHBondContact CD-OE1 3.38Å; R282-E288 IonicContact CZ-OE1 3.84Å; R282-E288 IonicContact CZ-OE2 2.77Å; R282-E288 IonicContact NE-OE1 3.82Å; R282-E288 PolarHBondContact NE-OE1 2.97Å; R282-E288 IonicContact NE-OE2 3.59Å; R282-E288 PolarHBondContact NE-OE2 3.07Å; R282-E288 IonicContact NH1-OE1 3.59Å; R282-E288 IonicContact NH2-OE1 3.93Å; R282-E288 PolarHBondContact NH2-OE1 3.12Å; R282-E288 VanDerWaalsContact NH2-OE1 3.17Å; R282-E288 IonicContact NH2-OE2 3.13Å; T285-E288 PolarHBondContact O-N 3.41Å; T285-E288 WeakPolarHBondContact OG1-CB 3.32Å; T285-E288 PolarHBondContact OG1-N 3.35Å; V286-E288 VanDerWaalsContact C-N 3.26Å; V286-E288 PolarHBondContact O-N 3Å; E288-Q291 PolarHBondContact O-N 3.28Å; E288-Q292 WeakPolarHBondContact O-CG 3.37Å; E288-Q292 PolarHBondContact O-N 3.41Å; E288-Q292 PolarHBondContact OE1-NE2 3.39Å
289	L	96.4	Very high	90.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-47.2	175.2	-71.2	-172.1	0	0	0	111	A271 P272 T285 V286 Q291 Q292 M293 F317 M363	A271-L289 HydrophobicContact CB-CD2 3.95Å; P272-L289 HydrophobicContact CB-CD2 4Å; P272-L289 HydrophobicContact CG-CD2 4.35Å; T285-L289 WeakPolarHBondContact O-CG 3.39Å; T285-L289 PolarHBondContact O-N 3.26Å; V286-L289 PolarHBondContact O-N 3.14Å; L289-Q291 VanDerWaalsContact C-N 3.33Å; L289-Q291 PolarHBondContact O-N 3.03Å; L289-Q292 PolarHBondContact O-N 3.29Å; L289-Q292 VanDerWaalsContact O-N 3.16Å; L289-M293 WeakPolarHBondContact O-CG 3.38Å; L289-M293 PolarHBondContact O-N 2.85Å; L289-F317 HydrophobicContact CB-CE1 4.09Å; L289-F317 HydrophobicContact CD1-CD1 4.21Å; L289-F317 HydrophobicContact CD1-CE1 4.45Å; L289-M363 HydrophobicContact CD1-CB 4.33Å; L289-M363 HydrophobicContact CD1-CE 3.47Å; L289-M363 VanDerWaalsContact CD1-CE 3.47Å; L289-M363 HydrophobicContact CD1-CG 4.03Å; L289-M363 HydrophobicContact CD1-SD 4.47Å; L289-M363 HydrophobicContact CG-CE 4.19Å
290	T	96.3	Very high	91.4	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-58.7	-44.3	177.2	-56.7	0	0	0	0	111.5	V286 Q292 M293 F294 F317 Q329 M330 I333	V286-T290 PolarHBondContact O-N 3.17Å; V286-T290 PolarHBondContact O-OG1 2.9Å; T290-Q292 VanDerWaalsContact C-N 3.35Å; T290-Q292 PolarHBondContact O-N 3.15Å; T290-M293 PolarHBondContact O-N 2.88Å; T290-F294 HydrophobicContact CG2-CD2 4.43Å; T290-F294 WeakPolarHBondContact O-CD2 3.4Å; T290-F294 PolarHBondContact O-N 3.41Å; T290-F317 WeakPolarHBondContact OG1-CZ 3.42Å; T290-Q329 HydrophobicContact CG2-CB 4.35Å; T290-M330 HydrophobicContact CG2-SD 3.9Å; T290-I333 HydrophobicContact CG2-CB 3.98Å; T290-I333 HydrophobicContact CG2-CG1 4.4Å; T290-I333 HydrophobicContact CG2-CG2 3.68Å
291	Q	94.9	Very high	92.1	Very high	135 Å²	135	47.9 Å²	47.9	63%	0.631	24%	0.241	S	C	*	.	H	α-helix	trans	-62.4	-41.2	176.7	-175.2	177.5	12.8	0	0	112.3	P287 E288 L289 D295	P287-Q291 WeakPolarHBondContact O-CB 3.24Å; P287-Q291 PolarHBondContact O-N 3.29Å; E288-Q291 PolarHBondContact O-N 3.28Å; L289-Q291 VanDerWaalsContact C-N 3.33Å; L289-Q291 PolarHBondContact O-N 3.03Å; Q291-D295 PolarHBondContact O-N 3.05Å
292	Q	95.2	Very high	92.6	Very high	15 Å²	15	40.4 Å²	40.4	7%	0.07	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-36.9	178.6	-75.8	-178.3	45	0	0	112.6	A271 E288 L289 T290 F294 D295 N298	A271-Q292 HydrophobicContact CB-CB 3.74Å; E288-Q292 WeakPolarHBondContact O-CG 3.37Å; E288-Q292 PolarHBondContact O-N 3.41Å; E288-Q292 PolarHBondContact OE1-NE2 3.39Å; L289-Q292 PolarHBondContact O-N 3.29Å; L289-Q292 VanDerWaalsContact O-N 3.16Å; T290-Q292 VanDerWaalsContact C-N 3.35Å; T290-Q292 PolarHBondContact O-N 3.15Å; Q292-F294 VanDerWaalsContact C-N 3.28Å; Q292-F294 PolarHBondContact O-N 3.3Å; Q292-D295 PolarHBondContact O-N 3.47Å; Q292-N298 WeakPolarHBondContact O-CB 3.37Å; Q292-N298 PolarHBondContact O-ND2 3.41Å
293	M	95.1	Very high	93.2	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-61.9	-33.8	177.9	-76.4	-166.5	-62.4	0	0	113.3	A271 L289 T290 M299 T315 F317 M330 S365 F367	A271-M293 HydrophobicContact CB-CG 4.33Å; L289-M293 WeakPolarHBondContact O-CG 3.38Å; L289-M293 PolarHBondContact O-N 2.85Å; T290-M293 PolarHBondContact O-N 2.88Å; M293-M299 WeakPolarHBondContact O-CE 3.25Å; M293-T315 HydrophobicContact CE-CG2 3.71Å; M293-T315 HydrophobicContact SD-CG2 3.78Å; M293-F317 HydrophobicContact CE-CE1 3.9Å; M293-F317 HydrophobicContact CE-CE2 3.66Å; M293-F317 HydrophobicContact CE-CZ 3.22Å; M293-M330 HydrophobicContact CE-SD 4.22Å; M293-S365 VanDerWaalsContact CG-OG 3.22Å; M293-S365 WeakPolarHBondContact CG-OG 3.37Å; M293-S365 WeakPolarHBondContact SD-CB 3.49Å; M293-S365 PolarHBondContact SD-OG 3.46Å; M293-F367 HydrophobicContact CB-CB 4.05Å; M293-F367 HydrophobicContact CB-CD2 4.07Å; M293-F367 HydrophobicContact CB-CG 4.4Å; M293-F367 HydrophobicContact CG-CB 4.05Å; M293-F367 HydrophobicContact SD-CB 4.15Å
294	F	93.8	Very high	93.6	Very high	24 Å²	24	33.1 Å²	33.1	11%	0.105	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	8.7	179.7	-75.3	-88.7	0	0	0	113.5	T290 Q292 Y310 V313 M330 I333 F341 F367	T290-F294 HydrophobicContact CG2-CD2 4.43Å; T290-F294 WeakPolarHBondContact O-CD2 3.4Å; T290-F294 PolarHBondContact O-N 3.41Å; Q292-F294 VanDerWaalsContact C-N 3.28Å; Q292-F294 PolarHBondContact O-N 3.3Å; F294-Y310 HydrophobicContact CD1-CE2 4.41Å; F294-Y310 HydrophobicContact CE1-CE2 4.43Å; F294-V313 HydrophobicContact CZ-CG1 4.11Å; F294-M330 HydrophobicContact CE2-CE 3.87Å; F294-M330 HydrophobicContact CE2-SD 4.21Å; F294-M330 HydrophobicContact CZ-CE 4.05Å; F294-I333 HydrophobicContact CB-CG1 4.14Å; F294-I333 HydrophobicContact CD1-CG1 4.5Å; F294-I333 HydrophobicContact CD2-CB 4.48Å; F294-I333 HydrophobicContact CD2-CG1 3.75Å; F294-I333 HydrophobicContact CD2-CG2 3.88Å; F294-I333 HydrophobicContact CE2-CG1 4.26Å; F294-I333 HydrophobicContact CE2-CG2 3.54Å; F294-I333 HydrophobicContact CG-CG1 3.88Å; F294-I333 HydrophobicContact CZ-CG2 4.02Å; F294-F341 HydrophobicContact CE1-CE2 4.43Å; F294-F341 AromaticContact CE1-CZ 3.84Å; F294-F341 HydrophobicContact CE1-CZ 3.84Å; F294-F341 HydrophobicContact CZ-CZ 4.34Å; F294-F367 HydrophobicContact CD1-CE2 4.15Å; F294-F367 AromaticContact CE1-CE2 3.78Å; F294-F367 HydrophobicContact CE1-CE2 3.78Å; F294-F367 HydrophobicContact CE1-CZ 4.44Å; F294-F367 HydrophobicContact CE2-CE2 4.28Å; F294-F367 AromaticContact CZ-CE2 3.86Å; F294-F367 HydrophobicContact CZ-CE2 3.86Å
295	D	93.6	Very high	93.6	Very high	65 Å²	65	31 Å²	31	35%	0.348	17%	0.167	S	C	.	.			trans	-84	118.4	170.7	-169.5	-20.1	0	0	0	109.1	Q291 Q292 K297 N298	Q291-D295 PolarHBondContact O-N 3.05Å; Q292-D295 PolarHBondContact O-N 3.47Å; D295-K297 PolarHBondContact O-N 3.33Å; D295-K297 WeakPolarHBondContact OD1-CB 3.4Å; D295-K297 PolarHBondContact OD1-N 2.97Å; D295-N298 WeakPolarHBondContact O-CB 3.39Å; D295-N298 PolarHBondContact O-N 2.88Å
296	A	92.2	Very high	93.4	Very high	28 Å²	28	35.3 Å²	35.3	23%	0.231	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-52	-29.6	178.1	0	0	0	0	0	112.9	N298 M299	A296-N298 PolarHBondContact O-N 3.33Å; A296-M299 PolarHBondContact O-N 2.84Å
297	K	92.7	Very high	93.3	Very high	156 Å²	156	40.6 Å²	40.6	68%	0.678	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-70.6	-13.2	178.9	-62	173	-173.6	169.1	0	114.2	I210 D295	I210-K297 VanDerWaalsContact CG1-O 3.24Å; I210-K297 WeakPolarHBondContact CG1-O 3.43Å; D295-K297 PolarHBondContact O-N 3.33Å; D295-K297 WeakPolarHBondContact OD1-CB 3.4Å; D295-K297 PolarHBondContact OD1-N 2.97Å
298	N	93.1	Very high	93.3	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.043	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-105	-2.5	-178.8	-65.1	-19	0	0	0	112.4	L273 Q292 D295 A296	L273-N298 HydrophobicContact CD1-CB 3.64Å; Q292-N298 WeakPolarHBondContact O-CB 3.37Å; Q292-N298 PolarHBondContact O-ND2 3.41Å; D295-N298 WeakPolarHBondContact O-CB 3.39Å; D295-N298 PolarHBondContact O-N 2.88Å; A296-N298 PolarHBondContact O-N 3.33Å
299	M	94.2	Very high	93.4	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-75.5	143.4	173.4	-57.6	-59.9	-176.6	0	0	109.7	M293 A296 A301 Y310 F367	M293-M299 WeakPolarHBondContact O-CE 3.25Å; A296-M299 PolarHBondContact O-N 2.84Å; M299-A301 VanDerWaalsContact C-N 3.29Å; M299-Y310 WeakPolarHBondContact CE-OH 3.21Å; M299-F367 HydrophobicContact CE-CD1 3.67Å; M299-F367 HydrophobicContact CE-CE1 3.39Å; M299-F367 HydrophobicContact CE-CE2 4.34Å; M299-F367 HydrophobicContact CE-CG 4.27Å; M299-F367 HydrophobicContact CE-CZ 3.77Å; M299-F367 HydrophobicContact SD-CD1 3.45Å; M299-F367 WeakPolarHBondContact SD-CD1 3.33Å; M299-F367 HydrophobicContact SD-CE1 3.6Å; M299-F367 VanDerWaalsContact SD-CE1 3.6Å; M299-F367 HydrophobicContact SD-CG 4.31Å
300	M	94.7	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-88.7	4.4	-179.7	-58.4	-171.9	178.8	0	0	113	I202 D203 L207 I210 L228 T232 P268 F270	I202-M300 CarbonylContact C-O 3.6Å; D203-M300 WeakPolarHBondContact CB-O 3.3Å; D203-M300 PolarHBondContact N-O 3.22Å; L207-M300 HydrophobicContact CD2-CB 4.25Å; L207-M300 HydrophobicContact CD2-CG 4.02Å; L207-M300 HydrophobicContact CD2-SD 3.93Å; I210-M300 HydrophobicContact CD1-CG 4.34Å; L228-M300 HydrophobicContact CD1-CE 3.39Å; L228-M300 HydrophobicContact CD2-CE 3.97Å; L228-M300 HydrophobicContact CG-CE 3.39Å; L228-M300 HydrophobicContact CG-SD 4.39Å; T232-M300 HydrophobicContact CG2-CE 4.42Å; T232-M300 HydrophobicContact CG2-SD 3.97Å; T232-M300 WeakPolarHBondContact OG1-CE 3.04Å; T232-M300 PolarHBondContact OG1-SD 2.88Å; P268-M300 HydrophobicContact CG-CB 4.17Å; P268-M300 WeakPolarHBondContact O-CB 3.22Å; P268-M300 PolarHBondContact O-N 3.24Å; F270-M300 HydrophobicContact CB-CE 3.82Å
301	A	93	Very high	93.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	20%	0.199	C	C	.	.	S	Bend	trans	-113.2	134.2	168.1	0	0	0	0	0	108.2	M267 M299 C303 I374 L377	M267-A301 HydrophobicContact CB-CB 4.24Å; M267-A301 HydrophobicContact CG-CB 3.72Å; M267-A301 HydrophobicContact SD-CB 4.21Å; M299-A301 VanDerWaalsContact C-N 3.29Å; A301-C303 PolarHBondContact O-N 2.81Å; A301-I374 HydrophobicContact CB-CD1 4.18Å; A301-L377 HydrophobicContact CB-CD1 4.34Å
302	A	90	Very high	93.5	Very high	39 Å²	39	35.7 Å²	35.7	32%	0.322	17%	0.17	S	C	.	.	S	Bend	trans	-78.9	61.9	-180	0	0	0	0	0	111.5	D203 E205 A206	D203-A302 WeakPolarHBondContact OD2-CB 3.18Å; D203-A302 PolarHBondContact OD2-N 3.08Å; E205-A302 HydrophobicContact CB-CB 4.42Å; A206-A302 HydrophobicContact CB-CB 4.22Å
303	C	90.3	Very high	93.5	Very high	7 Å²	7	35 Å²	35	5%	0.047	17%	0.167	C	C	.	.			trans	-123.1	144.8	174.6	-60.8	0	0	0	0	108.4	M267 A301 P305 A373 E376	M267-C303 HydrophobicContact SD-CB 3.66Å; A301-C303 PolarHBondContact O-N 2.81Å; C303-P305 WeakPolarHBondContact O-CD 3.28Å; C303-A373 HydrophobicContact CB-CB 4.35Å; C303-A373 WeakPolarHBondContact CB-O 3.3Å; C303-A373 PolarHBondContact SG-O 3.05Å; C303-A373 VanDerWaalsContact SG-O 3.34Å; C303-E376 WeakPolarHBondContact CA-OE2 3.41Å
304	D	90.8	Very high	93.5	Very high	24 Å²	24	35 Å²	35	13%	0.128	17%	0.168	C	C	.	.			trans	-95.1	110.6	172.1	-167.2	-17.4	0	0	0	110	R306 H307 A373 E376	D304-R306 VanDerWaalsContact CG-NE 3.29Å; D304-R306 PolarHBondContact O-N 3.14Å; D304-R306 VanDerWaalsContact OD1-CB 3.3Å; D304-R306 WeakPolarHBondContact OD1-CB 3.46Å; D304-R306 WeakPolarHBondContact OD1-CG 3.28Å; D304-R306 IonicContact OD1-CZ 2.67Å; D304-R306 PolarHBondContact OD1-N 3.03Å; D304-R306 VanDerWaalsContact OD1-N 3.1Å; D304-R306 IonicContact OD1-NE 3.82Å; D304-R306 PolarHBondContact OD1-NE 3.27Å; D304-R306 IonicContact OD1-NH2 3.23Å; D304-R306 IonicContact OD2-CZ 2.87Å; D304-R306 IonicContact OD2-NE 2.74Å; D304-R306 PolarHBondContact OD2-NE 3.21Å; D304-R306 IonicContact OD2-NH2 2.83Å; D304-R306 PolarHBondContact OD2-NH2 3.45Å; D304-H307 WeakPolarHBondContact O-CB 3.49Å; D304-H307 PolarHBondContact O-N 3.22Å; D304-H307 IonicContact OD2-CE1 3.25Å; D304-H307 IonicContact OD2-NE2 3.84Å; D304-A373 WeakPolarHBondContact O-CB 3.24Å; D304-E376 PolarHBondContact N-OE2 3.17Å
305	P	89.9	Confident	93.6	Very high	6 Å²	6	34 Å²	34	4%	0.039	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-58.7	-17.8	179.8	-23.4	34.3	0	0	0	113.8	M267 C303 H307 G308 Y310	M267-P305 HydrophobicContact CE-CG 4.42Å; C303-P305 WeakPolarHBondContact O-CD 3.28Å; P305-H307 PolarHBondContact O-N 2.69Å; P305-G308 CarbonylContact O-C 3.58Å; P305-G308 PolarHBondContact O-N 3.46Å; P305-G308 VanDerWaalsContact O-O 3.08Å; P305-Y310 HydrophobicContact CB-CE1 4.21Å; P305-Y310 HydrophobicContact CB-CE2 3.9Å; P305-Y310 WeakPolarHBondContact CB-OH 3.5Å; P305-Y310 VanDerWaalsContact CG-OH 3.24Å; P305-Y310 WeakPolarHBondContact CG-OH 3.29Å
306	R	90.1	Very high	93.6	Very high	150 Å²	150	31.3 Å²	31.3	57%	0.566	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-71.5	-18.8	175.5	-59.9	174.1	-72.9	178.1	-3.8	113.2	D304 G308 Y340	D304-R306 VanDerWaalsContact CG-NE 3.29Å; D304-R306 PolarHBondContact O-N 3.14Å; D304-R306 VanDerWaalsContact OD1-CB 3.3Å; D304-R306 WeakPolarHBondContact OD1-CB 3.46Å; D304-R306 WeakPolarHBondContact OD1-CG 3.28Å; D304-R306 IonicContact OD1-CZ 2.67Å; D304-R306 PolarHBondContact OD1-N 3.03Å; D304-R306 VanDerWaalsContact OD1-N 3.1Å; D304-R306 IonicContact OD1-NE 3.82Å; D304-R306 PolarHBondContact OD1-NE 3.27Å; D304-R306 IonicContact OD1-NH2 3.23Å; D304-R306 IonicContact OD2-CZ 2.87Å; D304-R306 IonicContact OD2-NE 2.74Å; D304-R306 PolarHBondContact OD2-NE 3.21Å; D304-R306 IonicContact OD2-NH2 2.83Å; D304-R306 PolarHBondContact OD2-NH2 3.45Å; R306-G308 VanDerWaalsContact C-N 3.31Å; R306-Y340 HydrophobicContact CB-CE1 4.23Å; R306-Y340 HydrophobicContact CG-CE1 4.16Å; R306-Y340 HydrophobicContact CG-CE2 3.93Å
307	H	93.3	Very high	93.7	Very high	113 Å²	113	30 Å²	30	52%	0.523	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-89.8	1.1	175.7	-58.9	164.4	0	0	0	112.7	D304 P305 E376 Q426	D304-H307 WeakPolarHBondContact O-CB 3.49Å; D304-H307 PolarHBondContact O-N 3.22Å; D304-H307 IonicContact OD2-CE1 3.25Å; D304-H307 IonicContact OD2-NE2 3.84Å; P305-H307 PolarHBondContact O-N 2.69Å; H307-E376 WeakPolarHBondContact CB-OE1 3.48Å; H307-E376 IonicContact CE1-OE1 3.69Å; H307-E376 IonicContact CG-OE1 3.83Å; H307-E376 IonicContact ND1-OE1 3.32Å; H307-E376 PolarHBondContact ND1-OE1 3.47Å; H307-E376 IonicContact ND1-OE2 2.89Å; H307-Q426 PolarHBondContact O-OE1 2.88Å
308	G	94.8	Very high	93.6	Very high	4 Å²	4	22.6 Å²	22.6	4%	0.041	11%	0.106	C	C	.	.	S	Bend	trans	-142.9	-157.4	174.1	0	0	0	0	0	112.4	P305 R306 T372 Q426	P305-G308 CarbonylContact O-C 3.58Å; P305-G308 PolarHBondContact O-N 3.46Å; P305-G308 VanDerWaalsContact O-O 3.08Å; R306-G308 VanDerWaalsContact C-N 3.31Å; G308-T372 VanDerWaalsContact CA-OG1 3.31Å; G308-T372 WeakPolarHBondContact CA-OG1 3.34Å; G308-Q426 VanDerWaalsContact CA-OE1 3.25Å
309	R	96.3	Very high	93.5	Very high	95 Å²	95	22.2 Å²	22.2	36%	0.358	10%	0.104	S	C	.	.			trans	-130.2	141.4	176.7	-59.6	-66.6	-175.5	128.3	0.7	109.7	L311 S339 Y340 F341 V342 S371 T372 Q426	R309-L311 PolarHBondContact O-N 3.42Å; R309-S339 WeakPolarHBondContact CD-O 3.24Å; R309-S339 PolarHBondContact NE-O 2.89Å; R309-S339 VanDerWaalsContact NE-O 3.11Å; R309-S339 PolarHBondContact NH1-O 3.08Å; R309-Y340 CarbonylContact C-O 3.45Å; R309-Y340 VanDerWaalsContact CA-O 3.3Å; R309-Y340 WeakPolarHBondContact CA-O 3.37Å; R309-F341 PolarHBondContact NH1-O 2.83Å; R309-V342 HydrophobicContact CB-CG1 3.59Å; R309-V342 HydrophobicContact CG-CG1 4.32Å; R309-S371 VanDerWaalsContact C-OG 3.31Å; R309-S371 CarbonylContact O-C 3.15Å; R309-S371 WeakPolarHBondContact O-CA 3.45Å; R309-S371 WeakPolarHBondContact O-CB 3.32Å; R309-S371 PolarHBondContact O-OG 3.4Å; R309-T372 PolarHBondContact N-OG1 3.3Å; R309-T372 PolarHBondContact O-N 3.47Å; R309-Q426 HydrophobicContact CG-CG 4.22Å
310	Y	96.8	Very high	93.2	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.3	166.1	-70.4	-67.7	0	0	0	108.6	M267 F294 M299 P305 V313 Y340 F341 V342 F367 N370	M267-Y310 HydrophobicContact CE-CE1 4.43Å; F294-Y310 HydrophobicContact CD1-CE2 4.41Å; F294-Y310 HydrophobicContact CE1-CE2 4.43Å; M299-Y310 WeakPolarHBondContact CE-OH 3.21Å; P305-Y310 HydrophobicContact CB-CE1 4.21Å; P305-Y310 HydrophobicContact CB-CE2 3.9Å; P305-Y310 WeakPolarHBondContact CB-OH 3.5Å; P305-Y310 VanDerWaalsContact CG-OH 3.24Å; P305-Y310 WeakPolarHBondContact CG-OH 3.29Å; Y310-V313 HydrophobicContact CD1-CG2 3.56Å; Y310-V313 HydrophobicContact CD2-CG2 4.41Å; Y310-V313 HydrophobicContact CE1-CG2 4.15Å; Y310-V313 HydrophobicContact CG-CG2 3.73Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.44Å; Y310-Y340 PolarHBondContact N-O 3.32Å; Y310-F341 HydrophobicContact CD2-CD1 4.44Å; Y310-F341 HydrophobicContact CD2-CD2 4.44Å; Y310-F341 HydrophobicContact CD2-CE1 4.13Å; Y310-F341 HydrophobicContact CD2-CE2 4.13Å; Y310-F341 AromaticContact CD2-CZ 3.99Å; Y310-F341 HydrophobicContact CD2-CZ 3.99Å; Y310-F341 HydrophobicContact CG-CD1 4.4Å; Y310-F341 HydrophobicContact CG-CE1 4.16Å; Y310-F341 HydrophobicContact CG-CZ 4.45Å; Y310-V342 WeakPolarHBondContact O-CG2 3.41Å; Y310-V342 PolarHBondContact O-N 2.91Å; Y310-F367 HydrophobicContact CD1-CZ 4.39Å; Y310-F367 HydrophobicContact CE1-CE1 4.13Å; Y310-F367 AromaticContact CE1-CZ 3.59Å; Y310-F367 HydrophobicContact CE1-CZ 3.59Å; Y310-F367 AromaticContact CZ-CZ 3.85Å; Y310-N370 CarbonylContact C-O 3.5Å; Y310-N370 WeakPolarHBondContact CA-O 2.99Å
311	L	97.1	Very high	93	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-52.9	167.2	-55.9	-177.8	0	0	0	108.7	P259 L263 R309 V342 W344 I345 N348 N370 T372	P259-L311 HydrophobicContact CG-CB 4.18Å; P259-L311 HydrophobicContact CG-CD1 4.18Å; L263-L311 HydrophobicContact CB-CD1 4.32Å; L263-L311 HydrophobicContact CD2-CD1 3.76Å; R309-L311 PolarHBondContact O-N 3.42Å; L311-V342 HydrophobicContact CD2-CG1 3.75Å; L311-V342 HydrophobicContact CD2-CG2 4.41Å; L311-W344 HydrophobicContact CD2-CH2 3.81Å; L311-W344 HydrophobicContact CD2-CZ2 3.92Å; L311-I345 HydrophobicContact CB-CD1 4.1Å; L311-I345 WeakPolarHBondContact O-CD1 3.09Å; L311-N348 WeakPolarHBondContact O-CB 3.32Å; L311-N370 HydrophobicContact CB-CB 4.4Å; L311-N370 PolarHBondContact N-O 3.17Å; L311-T372 HydrophobicContact CD2-CG2 3.88Å; L311-T372 HydrophobicContact CG-CG2 4.23Å
312	T	96.4	Very high	92.9	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.9	177.1	67.3	0	0	0	0	110.8	M257 I345 N348 N370	M257-T312 WeakPolarHBondContact CA-OG1 3.37Å; M257-T312 VanDerWaalsContact CE-OG1 3.31Å; M257-T312 WeakPolarHBondContact CE-OG1 3.21Å; M257-T312 PolarHBondContact O-OG1 3.37Å; T312-I345 HydrophobicContact CG2-CD1 4.41Å; T312-N348 CarbonylContact C-O 3.53Å; T312-N348 VanDerWaalsContact CA-O 3.26Å; T312-N348 WeakPolarHBondContact CA-O 3.27Å; T312-N370 PolarHBondContact N-O 3.07Å; T312-N370 PolarHBondContact O-N 3.06Å; T312-N370 VanDerWaalsContact OG1-CB 3.24Å; T312-N370 WeakPolarHBondContact OG1-CB 3.41Å
313	V	96.1	Very high	93	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.5	174.9	169.3	0	0	0	0	108.9	F294 Y310 T315 F341 N348 V349 K350 F367 I368	F294-V313 HydrophobicContact CZ-CG1 4.11Å; Y310-V313 HydrophobicContact CD1-CG2 3.56Å; Y310-V313 HydrophobicContact CD2-CG2 4.41Å; Y310-V313 HydrophobicContact CE1-CG2 4.15Å; Y310-V313 HydrophobicContact CG-CG2 3.73Å; V313-T315 HydrophobicContact CG1-CG2 4.09Å; V313-F341 HydrophobicContact CB-CE1 4.28Å; V313-F341 HydrophobicContact CG2-CE1 3.69Å; V313-F341 HydrophobicContact CG2-CZ 4.18Å; V313-N348 PolarHBondContact N-O 3.05Å; V313-V349 HydrophobicContact CB-CG2 4.32Å; V313-V349 CarbonylContact O-C 3.59Å; V313-V349 VanDerWaalsContact O-CA 3.31Å; V313-V349 WeakPolarHBondContact O-CA 3.5Å; V313-K350 PolarHBondContact O-N 2.86Å; V313-F367 HydrophobicContact CB-CE2 4.42Å; V313-F367 HydrophobicContact CG1-CD2 4.04Å; V313-F367 HydrophobicContact CG1-CE2 3.4Å; V313-F367 VanDerWaalsContact CG1-CE2 3.4Å; V313-F367 HydrophobicContact CG1-CZ 4.01Å; V313-F367 HydrophobicContact CG2-CE2 4.13Å; V313-F367 HydrophobicContact CG2-CZ 3.97Å; V313-I368 CarbonylContact C-O 3.53Å; V313-I368 WeakPolarHBondContact CA-O 3.43Å
314	A	94.6	Very high	93.2	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.033	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.2	164.4	0	0	0	0	0	110.4	M257 K350 I368	M257-A314 HydrophobicContact CE-CB 3.95Å; M257-A314 HydrophobicContact CG-CB 4.48Å; M257-A314 HydrophobicContact SD-CB 3.48Å; M257-A314 WeakPolarHBondContact SD-CB 3.34Å; A314-K350 CarbonylContact C-O 3.48Å; A314-K350 VanDerWaalsContact CA-O 3.29Å; A314-K350 WeakPolarHBondContact CA-O 3.34Å; A314-K350 HydrophobicContact CB-CB 4.36Å; A314-I368 HydrophobicContact CB-CB 4.26Å; A314-I368 HydrophobicContact CB-CD1 4.4Å; A314-I368 PolarHBondContact N-O 3.31Å; A314-I368 PolarHBondContact O-N 3.48Å
315	T	94.7	Very high	93.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.6	172.5	60.7	0	0	0	0	110.6	M293 V313 M330 K350 V351 A352 T366 F367	M293-T315 HydrophobicContact CE-CG2 3.71Å; M293-T315 HydrophobicContact SD-CG2 3.78Å; V313-T315 HydrophobicContact CG1-CG2 4.09Å; T315-M330 HydrophobicContact CG2-CE 3.54Å; T315-M330 HydrophobicContact CG2-SD 4.08Å; T315-K350 PolarHBondContact N-O 2.92Å; T315-V351 CarbonylContact O-C 3.55Å; T315-V351 WeakPolarHBondContact O-CA 3.31Å; T315-A352 PolarHBondContact O-N 3.27Å; T315-T366 CarbonylContact C-O 3.4Å; T315-T366 VanDerWaalsContact CA-O 3.28Å; T315-T366 WeakPolarHBondContact CA-O 3.42Å; T315-F367 HydrophobicContact CG2-CD2 4.06Å
316	V	93.8	Very high	93.6	Very high	9 Å²	9	49.4 Å²	49.4	6%	0.055	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	104.3	176.8	-173.7	0	0	0	0	108.6	T238 R318 A352 S365 T366	T238-V316 HydrophobicContact CG2-CG1 4.48Å; V316-R318 HydrophobicContact CG1-CG 4.35Å; V316-A352 CarbonylContact C-O 3.51Å; V316-A352 WeakPolarHBondContact CA-O 3.21Å; V316-A352 HydrophobicContact CG1-CB 4.37Å; V316-A352 HydrophobicContact CG2-CB 4.32Å; V316-S365 CarbonylContact O-C 3.5Å; V316-S365 VanDerWaalsContact O-CA 3.22Å; V316-S365 WeakPolarHBondContact O-CA 3.44Å; V316-T366 PolarHBondContact N-O 2.97Å; V316-T366 PolarHBondContact O-N 2.9Å
317	F	94.3	Very high	93.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	144.8	171.1	-69.9	-97.8	0	0	0	110.2	V286 L289 T290 M293 M321 V326 M330 V351 A352 V353 C354	V286-F317 HydrophobicContact CG1-CE1 4.05Å; L289-F317 HydrophobicContact CB-CE1 4.09Å; L289-F317 HydrophobicContact CD1-CD1 4.21Å; L289-F317 HydrophobicContact CD1-CE1 4.45Å; T290-F317 WeakPolarHBondContact OG1-CZ 3.42Å; M293-F317 HydrophobicContact CE-CE1 3.9Å; M293-F317 HydrophobicContact CE-CE2 3.66Å; M293-F317 HydrophobicContact CE-CZ 3.22Å; F317-M321 HydrophobicContact CB-CE 3.96Å; F317-M321 HydrophobicContact CB-SD 3.59Å; F317-M321 VanDerWaalsContact CB-SD 3.59Å; F317-M321 HydrophobicContact CD1-CE 4.49Å; F317-M321 HydrophobicContact CD1-SD 3.74Å; F317-M321 HydrophobicContact CG-SD 3.98Å; F317-V326 HydrophobicContact CD1-CG2 4.37Å; F317-V326 HydrophobicContact CD2-CG1 3.46Å; F317-V326 VanDerWaalsContact CD2-CG1 3.46Å; F317-V326 HydrophobicContact CD2-CG2 4.48Å; F317-V326 HydrophobicContact CE1-CG1 4.44Å; F317-V326 HydrophobicContact CE2-CG1 3.36Å; F317-V326 HydrophobicContact CG-CG1 4.07Å; F317-V326 HydrophobicContact CG-CG2 4.27Å; F317-V326 HydrophobicContact CZ-CG1 3.88Å; F317-M330 HydrophobicContact CE2-CG 4.27Å; F317-M330 HydrophobicContact CE2-SD 4.12Å; F317-M330 HydrophobicContact CZ-SD 4.2Å; F317-V351 HydrophobicContact CD2-CG1 4.27Å; F317-V351 HydrophobicContact CE2-CG1 4.41Å; F317-A352 PolarHBondContact N-O 2.94Å; F317-V353 HydrophobicContact CB-CG1 4.47Å; F317-V353 HydrophobicContact CB-CG2 4.25Å; F317-V353 CarbonylContact O-C 3.47Å; F317-V353 WeakPolarHBondContact O-CA 3.47Å; F317-C354 PolarHBondContact O-N 3.19Å
318	R	92.2	Very high	94	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.2	-179.3	-58.1	-176.7	61.6	178.9	-0.4	110.7	E27 S234 T238 V316 M321 C354 I356 M363 S364	E27-R318 IonicContact OE1-CZ 3.53Å; E27-R318 IonicContact OE1-NH1 2.77Å; E27-R318 PolarHBondContact OE1-NH1 3.25Å; E27-R318 IonicContact OE1-NH2 2.92Å; E27-R318 PolarHBondContact OE1-NH2 3.15Å; E27-R318 VanDerWaalsContact OE1-NH2 3.07Å; E27-R318 IonicContact OE2-CZ 3.55Å; E27-R318 IonicContact OE2-NH1 3.17Å; E27-R318 PolarHBondContact OE2-NH1 3.38Å; E27-R318 IonicContact OE2-NH2 2.9Å; E27-R318 PolarHBondContact OE2-NH2 3.41Å; S234-R318 PolarHBondContact OG-NH1 2.92Å; T238-R318 HydrophobicContact CG2-CG 4.14Å; T238-R318 WeakPolarHBondContact OG1-CD 3.5Å; T238-R318 PolarHBondContact OG1-NE 2.87Å; T238-R318 PolarHBondContact OG1-NH1 3Å; V316-R318 HydrophobicContact CG1-CG 4.35Å; R318-M321 VanDerWaalsContact C-CE 3.49Å; R318-M321 WeakPolarHBondContact O-CE 3.37Å; R318-C354 CarbonylContact C-O 3.47Å; R318-C354 WeakPolarHBondContact CA-O 3.45Å; R318-C354 HydrophobicContact CG-CB 4.36Å; R318-I356 PolarHBondContact NE-O 3.35Å; R318-I356 VanDerWaalsContact NE-O 3.13Å; R318-I356 PolarHBondContact NH2-O 2.86Å; R318-M363 CarbonylContact O-C 3.44Å; R318-M363 WeakPolarHBondContact O-CA 3.26Å; R318-M363 WeakPolarHBondContact O-CB 3.5Å; R318-S364 PolarHBondContact N-O 3.43Å; R318-S364 PolarHBondContact O-N 3.18Å
319	G	90.3	Very high	94.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	106	166.1	-174.4	0	0	0	0	0	113	M321 C354	G319-M321 VanDerWaalsContact O-CE 3.28Å; G319-M321 WeakPolarHBondContact O-CE 3.3Å; G319-M321 PolarHBondContact O-N 3.14Å; G319-M321 VanDerWaalsContact O-N 3.15Å; G319-C354 PolarHBondContact N-O 3.26Å
320	R	87.9	Confident	94.1	Very high	228 Å²	228	43 Å²	43	86%	0.86	20%	0.201	S	C	*	.	S	Bend	trans	-70.2	109.4	-178.3	-64.8	-175.4	-177.5	-174.3	0.7	110.7
321	M	90.8	Very high	94	Very high	34 Å²	34	47.8 Å²	47.8	17%	0.167	23%	0.226	C	C	.	.			trans	-148.9	165.1	177.9	64.7	-167.5	82.6	0	0	112.1	V286 F317 R318 G319 M323 V326 V353 M363	V286-M321 HydrophobicContact CG2-CB 4.07Å; V286-M321 HydrophobicContact CG2-CG 4.41Å; V286-M321 HydrophobicContact CG2-SD 3.87Å; F317-M321 HydrophobicContact CB-CE 3.96Å; F317-M321 HydrophobicContact CB-SD 3.59Å; F317-M321 VanDerWaalsContact CB-SD 3.59Å; F317-M321 HydrophobicContact CD1-CE 4.49Å; F317-M321 HydrophobicContact CD1-SD 3.74Å; F317-M321 HydrophobicContact CG-SD 3.98Å; R318-M321 VanDerWaalsContact C-CE 3.49Å; R318-M321 WeakPolarHBondContact O-CE 3.37Å; G319-M321 VanDerWaalsContact O-CE 3.28Å; G319-M321 WeakPolarHBondContact O-CE 3.3Å; G319-M321 PolarHBondContact O-N 3.14Å; G319-M321 VanDerWaalsContact O-N 3.15Å; M321-M323 PolarHBondContact O-N 3.35Å; M321-V326 HydrophobicContact CG-CG2 3.99Å; M321-V326 HydrophobicContact SD-CG2 3.77Å; M321-V353 HydrophobicContact CG-CG1 3.82Å; M321-V353 HydrophobicContact SD-CG1 4.42Å; M321-M363 HydrophobicContact CE-CB 3.91Å; M321-M363 HydrophobicContact CE-CE 4.03Å; M321-M363 HydrophobicContact SD-CE 4.23Å
322	S	91.3	Very high	94	Very high	58 Å²	58	50.2 Å²	50.2	41%	0.406	25%	0.246	S	C	.	.			trans	-78.3	117.1	178.4	171.9	0	0	0	0	110.4	K324 E325 V326	S322-K324 PolarHBondContact O-N 2.85Å; S322-E325 WeakPolarHBondContact O-CB 3.48Å; S322-E325 PolarHBondContact O-N 3.01Å; S322-E325 PolarHBondContact OG-N 3.27Å; S322-V326 PolarHBondContact O-N 3.36Å; S322-V326 VanDerWaalsContact O-N 3.08Å
323	M	90.6	Very high	93.9	Very high	119 Å²	119	51 Å²	51	59%	0.586	25%	0.25	S	S	*	.	H	α-helix	trans	-55.9	-38.8	174.1	-172.1	175.4	-171.9	0	0	111.8	M321 E325 V326 D327	M321-M323 PolarHBondContact O-N 3.35Å; M323-E325 VanDerWaalsContact C-N 3.31Å; M323-E325 PolarHBondContact O-N 3.29Å; M323-V326 WeakPolarHBondContact O-CB 3.43Å; M323-V326 PolarHBondContact O-N 3.06Å; M323-D327 PolarHBondContact O-N 2.9Å
324	K	94.5	Very high	93.7	Very high	141 Å²	141	53.5 Å²	53.5	61%	0.613	26%	0.262	S	S	*	.	H	α-helix	trans	-58.9	-42	175.1	178.1	-179.3	171.2	-179.2	0	112.3	S322 D327 E328	S322-K324 PolarHBondContact O-N 2.85Å; K324-D327 PolarHBondContact O-N 3.46Å; K324-E328 WeakPolarHBondContact CE-OE1 3.46Å; K324-E328 IonicContact NZ-OE1 3.78Å; K324-E328 WeakPolarHBondContact O-CB 3.3Å; K324-E328 VanDerWaalsContact O-CG 3.29Å; K324-E328 WeakPolarHBondContact O-CG 3.31Å; K324-E328 PolarHBondContact O-N 2.84Å
325	E	95.6	Very high	93.7	Very high	72 Å²	72	57.3 Å²	57.3	34%	0.336	29%	0.288	S	S	.	.	H	α-helix	trans	-67.4	-40.1	178.6	-175	-177.7	-173.6	0	0	110.7	V286 S322 M323 E328 Q329	V286-E325 HydrophobicContact CB-CG 4.08Å; V286-E325 HydrophobicContact CG1-CG 4.34Å; V286-E325 HydrophobicContact CG2-CG 4.35Å; S322-E325 WeakPolarHBondContact O-CB 3.48Å; S322-E325 PolarHBondContact O-N 3.01Å; S322-E325 PolarHBondContact OG-N 3.27Å; M323-E325 VanDerWaalsContact C-N 3.31Å; M323-E325 PolarHBondContact O-N 3.29Å; E325-E328 PolarHBondContact O-N 3.28Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.33Å; E325-Q329 PolarHBondContact O-N 2.87Å
326	V	94.9	Very high	93.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-51.1	174.7	180	0	0	0	0	110.8	V286 F317 M321 S322 M323 E328 Q329 M330 V351 V353	V286-V326 HydrophobicContact CG1-CB 4.33Å; V286-V326 HydrophobicContact CG1-CG2 3.84Å; V286-V326 HydrophobicContact CG2-CG2 4.16Å; F317-V326 HydrophobicContact CD1-CG2 4.37Å; F317-V326 HydrophobicContact CD2-CG1 3.46Å; F317-V326 VanDerWaalsContact CD2-CG1 3.46Å; F317-V326 HydrophobicContact CD2-CG2 4.48Å; F317-V326 HydrophobicContact CE1-CG1 4.44Å; F317-V326 HydrophobicContact CE2-CG1 3.36Å; F317-V326 HydrophobicContact CG-CG1 4.07Å; F317-V326 HydrophobicContact CG-CG2 4.27Å; F317-V326 HydrophobicContact CZ-CG1 3.88Å; M321-V326 HydrophobicContact CG-CG2 3.99Å; M321-V326 HydrophobicContact SD-CG2 3.77Å; S322-V326 PolarHBondContact O-N 3.36Å; S322-V326 VanDerWaalsContact O-N 3.08Å; M323-V326 WeakPolarHBondContact O-CB 3.43Å; M323-V326 PolarHBondContact O-N 3.06Å; V326-E328 PolarHBondContact O-N 3.04Å; V326-Q329 PolarHBondContact O-N 3.31Å; V326-M330 HydrophobicContact CG1-CG 4.21Å; V326-M330 WeakPolarHBondContact O-CB 3.45Å; V326-M330 VanDerWaalsContact O-CG 3.27Å; V326-M330 WeakPolarHBondContact O-CG 3.4Å; V326-M330 PolarHBondContact O-N 3.4Å; V326-V351 HydrophobicContact CG1-CG1 3.44Å; V326-V351 VanDerWaalsContact CG1-CG1 3.44Å; V326-V353 HydrophobicContact CB-CG2 4.41Å; V326-V353 HydrophobicContact CG1-CG2 4.28Å; V326-V353 HydrophobicContact CG2-CG2 4.16Å
327	D	94.6	Very high	93.5	Very high	63 Å²	63	65.6 Å²	65.6	34%	0.337	33%	0.325	S	S	.	.	H	α-helix	trans	-60.5	-43.8	-179.9	-67.4	-25.6	0	0	0	111.7	M323 K324 Q329 M330 L331	M323-D327 PolarHBondContact O-N 2.9Å; K324-D327 PolarHBondContact O-N 3.46Å; D327-Q329 PolarHBondContact O-N 2.9Å; D327-M330 PolarHBondContact O-N 3.14Å; D327-L331 WeakPolarHBondContact O-CB 3.45Å; D327-L331 VanDerWaalsContact O-CG 3.28Å; D327-L331 WeakPolarHBondContact O-CG 3.49Å; D327-L331 PolarHBondContact O-N 3.27Å
328	E	96.9	Very high	93.4	Very high	100 Å²	100	69.3 Å²	69.3	47%	0.467	35%	0.351	S	S	.	.	H	α-helix	trans	-61	-43.7	176.7	-76	174.7	177.4	0	0	112.1	K324 E325 V326 A332	K324-E328 WeakPolarHBondContact CE-OE1 3.46Å; K324-E328 IonicContact NZ-OE1 3.78Å; K324-E328 WeakPolarHBondContact O-CB 3.3Å; K324-E328 VanDerWaalsContact O-CG 3.29Å; K324-E328 WeakPolarHBondContact O-CG 3.31Å; K324-E328 PolarHBondContact O-N 2.84Å; E325-E328 PolarHBondContact O-N 3.28Å; V326-E328 PolarHBondContact O-N 3.04Å; E328-A332 WeakPolarHBondContact O-CB 3.48Å; E328-A332 PolarHBondContact O-N 3.48Å
329	Q	96.8	Very high	93.4	Very high	58 Å²	58	72.3 Å²	72.3	27%	0.271	37%	0.371	S	S	.	.	H	α-helix	trans	-70	-36.9	178.3	-68	-53.1	-54.9	0	0	112.5	V286 P287 T290 E325 V326 D327 A332 I333	V286-Q329 HydrophobicContact CG1-CB 4.23Å; V286-Q329 HydrophobicContact CG1-CG 4.03Å; P287-Q329 HydrophobicContact CB-CG 4.32Å; P287-Q329 HydrophobicContact CG-CG 3.92Å; T290-Q329 HydrophobicContact CG2-CB 4.35Å; E325-Q329 VanDerWaalsContact O-CG 3.31Å; E325-Q329 WeakPolarHBondContact O-CG 3.33Å; E325-Q329 PolarHBondContact O-N 2.87Å; V326-Q329 PolarHBondContact O-N 3.31Å; D327-Q329 PolarHBondContact O-N 2.9Å; Q329-A332 PolarHBondContact O-N 3.36Å; Q329-I333 PolarHBondContact O-N 3.24Å
330	M	95.7	Very high	93.6	Very high	6 Å²	6	75.7 Å²	75.7	3%	0.03	39%	0.385	C	S	.	.	H	α-helix	trans	-68.2	-42.2	177.6	-72.5	-58.5	-59.5	0	0	111.8	T290 M293 F294 T315 F317 V326 D327 A332 I333 Q334 V349 V351	T290-M330 HydrophobicContact CG2-SD 3.9Å; M293-M330 HydrophobicContact CE-SD 4.22Å; F294-M330 HydrophobicContact CE2-CE 3.87Å; F294-M330 HydrophobicContact CE2-SD 4.21Å; F294-M330 HydrophobicContact CZ-CE 4.05Å; T315-M330 HydrophobicContact CG2-CE 3.54Å; T315-M330 HydrophobicContact CG2-SD 4.08Å; F317-M330 HydrophobicContact CE2-CG 4.27Å; F317-M330 HydrophobicContact CE2-SD 4.12Å; F317-M330 HydrophobicContact CZ-SD 4.2Å; V326-M330 HydrophobicContact CG1-CG 4.21Å; V326-M330 WeakPolarHBondContact O-CB 3.45Å; V326-M330 VanDerWaalsContact O-CG 3.27Å; V326-M330 WeakPolarHBondContact O-CG 3.4Å; V326-M330 PolarHBondContact O-N 3.4Å; D327-M330 PolarHBondContact O-N 3.14Å; M330-A332 VanDerWaalsContact C-N 3.34Å; M330-A332 PolarHBondContact O-N 3.42Å; M330-I333 VanDerWaalsContact O-CG2 3.31Å; M330-I333 WeakPolarHBondContact O-CG2 2.94Å; M330-I333 PolarHBondContact O-N 3.15Å; M330-I333 HydrophobicContact SD-CG2 4.4Å; M330-Q334 VanDerWaalsContact O-CB 3.31Å; M330-Q334 WeakPolarHBondContact O-CB 3.3Å; M330-Q334 PolarHBondContact O-N 3.01Å; M330-V349 HydrophobicContact CE-CG1 3.57Å; M330-V351 HydrophobicContact CB-CG2 4.11Å; M330-V351 HydrophobicContact CE-CG2 4.27Å; M330-V351 HydrophobicContact CG-CG2 3.78Å
331	L	94.9	Very high	94	Very high	104 Å²	104	65.2 Å²	65.2	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-63.4	-40.5	173	-72	171.1	0	0	0	111.9	D327 S335	D327-L331 WeakPolarHBondContact O-CB 3.45Å; D327-L331 VanDerWaalsContact O-CG 3.28Å; D327-L331 WeakPolarHBondContact O-CG 3.49Å; D327-L331 PolarHBondContact O-N 3.27Å; L331-S335 VanDerWaalsContact O-CB 3.3Å; L331-S335 WeakPolarHBondContact O-CB 3.29Å; L331-S335 PolarHBondContact O-N 2.65Å; L331-S335 PolarHBondContact O-OG 3.16Å
332	A	96.3	Very high	94.1	Very high	51 Å²	51	64 Å²	64	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-44.5	178.7	0	0	0	0	0	112.4	E328 Q329 M330 S335 K336	E328-A332 WeakPolarHBondContact O-CB 3.48Å; E328-A332 PolarHBondContact O-N 3.48Å; Q329-A332 PolarHBondContact O-N 3.36Å; M330-A332 VanDerWaalsContact C-N 3.34Å; M330-A332 PolarHBondContact O-N 3.42Å; A332-S335 PolarHBondContact O-N 3.36Å; A332-K336 WeakPolarHBondContact O-CB 3.11Å; A332-K336 PolarHBondContact O-N 3.16Å
333	I	94.4	Very high	94.1	Very high	23 Å²	23	68.3 Å²	68.3	12%	0.118	35%	0.354	C	S	.	.	H	α-helix	trans	-69.9	-38.5	179.3	-162.5	66.8	0	0	0	111.5	T290 F294 Q329 M330 K336 N337	T290-I333 HydrophobicContact CG2-CB 3.98Å; T290-I333 HydrophobicContact CG2-CG1 4.4Å; T290-I333 HydrophobicContact CG2-CG2 3.68Å; F294-I333 HydrophobicContact CB-CG1 4.14Å; F294-I333 HydrophobicContact CD1-CG1 4.5Å; F294-I333 HydrophobicContact CD2-CB 4.48Å; F294-I333 HydrophobicContact CD2-CG1 3.75Å; F294-I333 HydrophobicContact CD2-CG2 3.88Å; F294-I333 HydrophobicContact CE2-CG1 4.26Å; F294-I333 HydrophobicContact CE2-CG2 3.54Å; F294-I333 HydrophobicContact CG-CG1 3.88Å; F294-I333 HydrophobicContact CZ-CG2 4.02Å; Q329-I333 PolarHBondContact O-N 3.24Å; M330-I333 VanDerWaalsContact O-CG2 3.31Å; M330-I333 WeakPolarHBondContact O-CG2 2.94Å; M330-I333 PolarHBondContact O-N 3.15Å; M330-I333 HydrophobicContact SD-CG2 4.4Å; I333-K336 HydrophobicContact CD1-CD 4.43Å; I333-K336 PolarHBondContact O-N 2.6Å; I333-N337 VanDerWaalsContact O-CB 3.31Å; I333-N337 WeakPolarHBondContact O-CB 3.39Å; I333-N337 PolarHBondContact O-N 3.05Å
334	Q	93.1	Very high	94.1	Very high	51 Å²	51	63.7 Å²	63.7	24%	0.238	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-45.6	174.7	-172.8	-173.9	22.6	0	0	110.9	M330 K336 N337 S338 F341 N348 V349	M330-Q334 VanDerWaalsContact O-CB 3.31Å; M330-Q334 WeakPolarHBondContact O-CB 3.3Å; M330-Q334 PolarHBondContact O-N 3.01Å; Q334-K336 VanDerWaalsContact C-N 3.34Å; Q334-K336 PolarHBondContact O-N 2.77Å; Q334-N337 CarbonylContact O-C 3.58Å; Q334-N337 PolarHBondContact O-N 3.38Å; Q334-S338 VanDerWaalsContact O-CA 3.31Å; Q334-S338 WeakPolarHBondContact O-CA 3.34Å; Q334-S338 PolarHBondContact O-N 2.93Å; Q334-F341 HydrophobicContact CG-CD2 4.31Å; Q334-F341 HydrophobicContact CG-CE2 4.15Å; Q334-F341 HydrophobicContact CG-CZ 4.32Å; Q334-N348 PolarHBondContact NE2-OD1 3.2Å; Q334-N348 VanDerWaalsContact NE2-OD1 3.17Å; Q334-V349 HydrophobicContact CG-CG2 4.2Å
335	S	93.3	Very high	93.9	Very high	84 Å²	84	58.1 Å²	58.1	59%	0.587	31%	0.306	S	S	*	.	H	α-helix	trans	-62.7	-41	177.9	-60.2	0	0	0	0	112.1	L331 A332 N337	L331-S335 VanDerWaalsContact O-CB 3.3Å; L331-S335 WeakPolarHBondContact O-CB 3.29Å; L331-S335 PolarHBondContact O-N 2.65Å; L331-S335 PolarHBondContact O-OG 3.16Å; A332-S335 PolarHBondContact O-N 3.36Å; S335-N337 VanDerWaalsContact C-N 3.31Å; S335-N337 PolarHBondContact O-N 3.41Å
336	K	94.3	Very high	93.6	Very high	161 Å²	161	59.4 Å²	59.4	70%	0.7	32%	0.321	S	S	*	.	H	α-helix	trans	-65.4	-36.4	177.3	-178.5	-176.4	173.8	-172.5	0	112.2	A332 I333 Q334	A332-K336 WeakPolarHBondContact O-CB 3.11Å; A332-K336 PolarHBondContact O-N 3.16Å; I333-K336 HydrophobicContact CD1-CD 4.43Å; I333-K336 PolarHBondContact O-N 2.6Å; Q334-K336 VanDerWaalsContact C-N 3.34Å; Q334-K336 PolarHBondContact O-N 2.77Å
337	N	92.1	Very high	93.3	Very high	24 Å²	24	65.6 Å²	65.6	13%	0.128	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	24.4	-175	-65.4	-14.6	0	0	0	112.1	I333 Q334 S335 S339 Y340 F341	I333-N337 VanDerWaalsContact O-CB 3.31Å; I333-N337 WeakPolarHBondContact O-CB 3.39Å; I333-N337 PolarHBondContact O-N 3.05Å; Q334-N337 CarbonylContact O-C 3.58Å; Q334-N337 PolarHBondContact O-N 3.38Å; S335-N337 VanDerWaalsContact C-N 3.31Å; S335-N337 PolarHBondContact O-N 3.41Å; N337-S339 PolarHBondContact O-N 3.4Å; N337-S339 VanDerWaalsContact O-N 3.11Å; N337-Y340 HydrophobicContact CB-CD2 3.79Å; N337-Y340 HydrophobicContact CB-CE2 4.4Å; N337-Y340 WeakPolarHBondContact O-CB 3.43Å; N337-Y340 PolarHBondContact O-N 2.7Å; N337-F341 HydrophobicContact CB-CE2 4.35Å; N337-F341 WeakPolarHBondContact O-CD2 3.34Å
338	S	92.1	Very high	93.2	Very high	78 Å²	78	63 Å²	63	55%	0.545	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-57.1	-32.8	-171.6	57.1	0	0	0	0	113	Q334 Y340 F341	Q334-S338 VanDerWaalsContact O-CA 3.31Å; Q334-S338 WeakPolarHBondContact O-CA 3.34Å; Q334-S338 PolarHBondContact O-N 2.93Å; S338-Y340 PolarHBondContact O-N 2.83Å; S338-Y340 VanDerWaalsContact O-N 3.16Å; S338-F341 PolarHBondContact O-N 3.22Å; S338-F341 VanDerWaalsContact O-N 3.08Å
339	S	92.1	Very high	93	Very high	63 Å²	63	59.4 Å²	59.4	44%	0.441	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-66.9	-7.7	174	63.9	0	0	0	0	114.8	R309 N337	R309-S339 WeakPolarHBondContact CD-O 3.24Å; R309-S339 PolarHBondContact NE-O 2.89Å; R309-S339 VanDerWaalsContact NE-O 3.11Å; R309-S339 PolarHBondContact NH1-O 3.08Å; N337-S339 PolarHBondContact O-N 3.4Å; N337-S339 VanDerWaalsContact O-N 3.11Å
340	Y	94	Very high	92.8	Very high	72 Å²	72	58.7 Å²	58.7	28%	0.282	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-102.7	0.8	174.4	-53.9	-31	0	0	0	111.8	R306 R309 Y310 N337 S338	R306-Y340 HydrophobicContact CB-CE1 4.23Å; R306-Y340 HydrophobicContact CG-CE1 4.16Å; R306-Y340 HydrophobicContact CG-CE2 3.93Å; R309-Y340 CarbonylContact C-O 3.45Å; R309-Y340 VanDerWaalsContact CA-O 3.3Å; R309-Y340 WeakPolarHBondContact CA-O 3.37Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.44Å; Y310-Y340 PolarHBondContact N-O 3.32Å; N337-Y340 HydrophobicContact CB-CD2 3.79Å; N337-Y340 HydrophobicContact CB-CE2 4.4Å; N337-Y340 WeakPolarHBondContact O-CB 3.43Å; N337-Y340 PolarHBondContact O-N 2.7Å; S338-Y340 PolarHBondContact O-N 2.83Å; S338-Y340 VanDerWaalsContact O-N 3.16Å
341	F	94.9	Very high	92.7	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.035	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-105.4	150.6	172.2	-70.4	-95.6	0	0	0	109.1	F294 R309 Y310 V313 Q334 N337 S338 V349	F294-F341 HydrophobicContact CE1-CE2 4.43Å; F294-F341 AromaticContact CE1-CZ 3.84Å; F294-F341 HydrophobicContact CE1-CZ 3.84Å; F294-F341 HydrophobicContact CZ-CZ 4.34Å; R309-F341 PolarHBondContact NH1-O 2.83Å; Y310-F341 HydrophobicContact CD2-CD1 4.44Å; Y310-F341 HydrophobicContact CD2-CD2 4.44Å; Y310-F341 HydrophobicContact CD2-CE1 4.13Å; Y310-F341 HydrophobicContact CD2-CE2 4.13Å; Y310-F341 AromaticContact CD2-CZ 3.99Å; Y310-F341 HydrophobicContact CD2-CZ 3.99Å; Y310-F341 HydrophobicContact CG-CD1 4.4Å; Y310-F341 HydrophobicContact CG-CE1 4.16Å; Y310-F341 HydrophobicContact CG-CZ 4.45Å; V313-F341 HydrophobicContact CB-CE1 4.28Å; V313-F341 HydrophobicContact CG2-CE1 3.69Å; V313-F341 HydrophobicContact CG2-CZ 4.18Å; Q334-F341 HydrophobicContact CG-CD2 4.31Å; Q334-F341 HydrophobicContact CG-CE2 4.15Å; Q334-F341 HydrophobicContact CG-CZ 4.32Å; N337-F341 HydrophobicContact CB-CE2 4.35Å; N337-F341 WeakPolarHBondContact O-CD2 3.34Å; S338-F341 PolarHBondContact O-N 3.22Å; S338-F341 VanDerWaalsContact O-N 3.08Å; F341-V349 HydrophobicContact CD1-CG2 4.26Å; F341-V349 HydrophobicContact CE1-CG2 3.53Å; F341-V349 HydrophobicContact CZ-CG2 4.03Å
342	V	94.2	Very high	92.4	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.048	30%	0.303	C	S	.	.			trans	-70.2	141.9	164	-60.6	0	0	0	0	109.2	R309 Y310 L311 W344 I345 N348	R309-V342 HydrophobicContact CB-CG1 3.59Å; R309-V342 HydrophobicContact CG-CG1 4.32Å; Y310-V342 WeakPolarHBondContact O-CG2 3.41Å; Y310-V342 PolarHBondContact O-N 2.91Å; L311-V342 HydrophobicContact CD2-CG1 3.75Å; L311-V342 HydrophobicContact CD2-CG2 4.41Å; V342-W344 HydrophobicContact CB-CD2 4.05Å; V342-W344 HydrophobicContact CB-CG 4.37Å; V342-W344 HydrophobicContact CB-CZ2 3.86Å; V342-W344 HydrophobicContact CG1-CZ2 3.66Å; V342-W344 HydrophobicContact CG2-CD2 4.12Å; V342-W344 HydrophobicContact CG2-CE3 4.35Å; V342-W344 HydrophobicContact CG2-CH2 4.28Å; V342-W344 HydrophobicContact CG2-CZ2 4.03Å; V342-W344 HydrophobicContact CG2-CZ3 4.48Å; V342-I345 HydrophobicContact CG2-CB 3.94Å; V342-I345 HydrophobicContact CG2-CD1 3.95Å; V342-I345 HydrophobicContact CG2-CG1 3.7Å; V342-N348 PolarHBondContact O-ND2 3.05Å
343	E	90.6	Very high	92.1	Very high	149 Å²	149	53.4 Å²	53.4	70%	0.696	29%	0.288	S	S	*	.	S	Bend	trans	-87.4	-18.2	-178.1	61.9	-178.4	-171.6	0	0	113.1	A430	E343-A430 HydrophobicContact CG-CB 4.38Å
344	W	90.1	Very high	91.8	Very high	22 Å²	22	52.4 Å²	52.4	8%	0.083	28%	0.284	C	S	.	.	S	Bend	trans	-90.1	-19.3	-171.2	49.3	-108.8	0	0	0	113.9	F260 L311 V342 P346 Y425 A428 A430 E433	F260-W344 AromaticContact CE2-CH2 3.72Å; F260-W344 HydrophobicContact CE2-CH2 3.72Å; F260-W344 AromaticContact CE2-CZ3 3.86Å; F260-W344 HydrophobicContact CE2-CZ3 3.86Å; F260-W344 HydrophobicContact CZ-CH2 4.39Å; F260-W344 HydrophobicContact CZ-CZ3 4.21Å; L311-W344 HydrophobicContact CD2-CH2 3.81Å; L311-W344 HydrophobicContact CD2-CZ2 3.92Å; V342-W344 HydrophobicContact CB-CD2 4.05Å; V342-W344 HydrophobicContact CB-CG 4.37Å; V342-W344 HydrophobicContact CB-CZ2 3.86Å; V342-W344 HydrophobicContact CG1-CZ2 3.66Å; V342-W344 HydrophobicContact CG2-CD2 4.12Å; V342-W344 HydrophobicContact CG2-CE3 4.35Å; V342-W344 HydrophobicContact CG2-CH2 4.28Å; V342-W344 HydrophobicContact CG2-CZ2 4.03Å; V342-W344 HydrophobicContact CG2-CZ3 4.48Å; W344-P346 WeakPolarHBondContact O-CD 3.15Å; W344-Y425 HydrophobicContact CH2-CD1 4.27Å; W344-Y425 HydrophobicContact CZ2-CD1 4.47Å; W344-Y425 WeakPolarHBondContact CZ2-O 3.42Å; W344-A428 PolarHBondContact NE1-O 2.99Å; W344-A430 HydrophobicContact CB-CB 4.29Å; W344-E433 HydrophobicContact CB-CG 4.37Å; W344-E433 VanDerWaalsContact CB-OE2 3.31Å; W344-E433 WeakPolarHBondContact CB-OE2 3.25Å; W344-E433 VanDerWaalsContact CD2-CD 3.46Å; W344-E433 HydrophobicContact CD2-CG 4.07Å; W344-E433 HydrophobicContact CE3-CG 4.1Å; W344-E433 HydrophobicContact CG-CG 4.18Å; W344-E433 WeakPolarHBondContact CZ3-OE1 3.42Å
345	I	91.4	Very high	91.5	Very high	24 Å²	24	54.9 Å²	54.9	12%	0.123	30%	0.298	C	S	.	.	S	Bend	trans	-87	108.5	166.4	-54	-175.5	0	0	0	110.2	P259 L311 T312 V342 N348	P259-I345 HydrophobicContact CB-CD1 3.8Å; P259-I345 HydrophobicContact CG-CD1 3.76Å; L311-I345 HydrophobicContact CB-CD1 4.1Å; L311-I345 WeakPolarHBondContact O-CD1 3.09Å; T312-I345 HydrophobicContact CG2-CD1 4.41Å; V342-I345 HydrophobicContact CG2-CB 3.94Å; V342-I345 HydrophobicContact CG2-CD1 3.95Å; V342-I345 HydrophobicContact CG2-CG1 3.7Å; I345-N348 HydrophobicContact CB-CB 4.09Å; I345-N348 HydrophobicContact CG2-CB 3.83Å
346	P	88.8	Confident	91	Very high	98 Å²	98	52.2 Å²	52.2	64%	0.636	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	146.4	175	30.8	-35.6	0	0	0	111.1	W344 N348	W344-P346 WeakPolarHBondContact O-CD 3.15Å; P346-N348 PolarHBondContact O-N 3.27Å
347	N	88.7	Confident	90.7	Very high	130 Å²	130	46.6 Å²	46.6	70%	0.695	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	38.8	175.5	-54.6	-58.9	0	0	0	113.8	V349 K350	N347-V349 PolarHBondContact O-N 3.24Å; N347-V349 VanDerWaalsContact O-N 3.14Å; N347-K350 PolarHBondContact O-NZ 3.43Å
348	N	92.3	Very high	90.5	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.048	26%	0.256	C	S	.	.			trans	-69.5	-0.9	-177.2	57.1	6.1	0	0	0	115.6	L311 T312 V313 Q334 V342 I345 P346	L311-N348 WeakPolarHBondContact O-CB 3.32Å; T312-N348 CarbonylContact C-O 3.53Å; T312-N348 VanDerWaalsContact CA-O 3.26Å; T312-N348 WeakPolarHBondContact CA-O 3.27Å; V313-N348 PolarHBondContact N-O 3.05Å; Q334-N348 PolarHBondContact NE2-OD1 3.2Å; Q334-N348 VanDerWaalsContact NE2-OD1 3.17Å; V342-N348 PolarHBondContact O-ND2 3.05Å; I345-N348 HydrophobicContact CB-CB 4.09Å; I345-N348 HydrophobicContact CG2-CB 3.83Å; P346-N348 PolarHBondContact O-N 3.27Å
349	V	93.8	Very high	90.1	Very high	25 Å²	25	51.1 Å²	51.1	15%	0.152	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.9	174.9	-178.7	0	0	0	0	109.9	V313 M330 Q334 F341 N347 V351	V313-V349 HydrophobicContact CB-CG2 4.32Å; V313-V349 CarbonylContact O-C 3.59Å; V313-V349 VanDerWaalsContact O-CA 3.31Å; V313-V349 WeakPolarHBondContact O-CA 3.5Å; M330-V349 HydrophobicContact CE-CG1 3.57Å; Q334-V349 HydrophobicContact CG-CG2 4.2Å; F341-V349 HydrophobicContact CD1-CG2 4.26Å; F341-V349 HydrophobicContact CE1-CG2 3.53Å; F341-V349 HydrophobicContact CZ-CG2 4.03Å; N347-V349 PolarHBondContact O-N 3.24Å; N347-V349 VanDerWaalsContact O-N 3.14Å; V349-V351 HydrophobicContact CG1-CG2 4.43Å
350	K	92.3	Very high	89.7	Confident	42 Å²	42	52.1 Å²	52.1	18%	0.183	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.7	174.9	-54.8	-52.5	-174.7	-155.5	0	110.6	L246 N256 V313 A314 T315 N347	L246-K350 HydrophobicContact CD2-CD 4.17Å; N256-K350 HydrophobicContact CB-CG 4.36Å; V313-K350 PolarHBondContact O-N 2.86Å; A314-K350 CarbonylContact C-O 3.48Å; A314-K350 VanDerWaalsContact CA-O 3.29Å; A314-K350 WeakPolarHBondContact CA-O 3.34Å; A314-K350 HydrophobicContact CB-CB 4.36Å; T315-K350 PolarHBondContact N-O 2.92Å; N347-K350 PolarHBondContact O-NZ 3.43Å
351	V	92.4	Very high	89.5	Confident	25 Å²	25	51.2 Å²	51.2	15%	0.152	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.3	-179.2	-178.2	0	0	0	0	109.4	T315 F317 V326 M330 V349 V353	T315-V351 CarbonylContact O-C 3.55Å; T315-V351 WeakPolarHBondContact O-CA 3.31Å; F317-V351 HydrophobicContact CD2-CG1 4.27Å; F317-V351 HydrophobicContact CE2-CG1 4.41Å; V326-V351 HydrophobicContact CG1-CG1 3.44Å; V326-V351 VanDerWaalsContact CG1-CG1 3.44Å; M330-V351 HydrophobicContact CB-CG2 4.11Å; M330-V351 HydrophobicContact CE-CG2 4.27Å; M330-V351 HydrophobicContact CG-CG2 3.78Å; V349-V351 HydrophobicContact CG1-CG2 4.43Å; V351-V353 HydrophobicContact CG1-CG2 4.46Å
352	A	90.2	Very high	89.2	Confident	6 Å²	6	59.7 Å²	59.7	5%	0.05	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148	170.7	0	0	0	0	0	109.7	Q245 T315 V316 F317	Q245-A352 HydrophobicContact CB-CB 4.24Å; Q245-A352 HydrophobicContact CG-CB 4.48Å; T315-A352 PolarHBondContact O-N 3.27Å; V316-A352 CarbonylContact C-O 3.51Å; V316-A352 WeakPolarHBondContact CA-O 3.21Å; V316-A352 HydrophobicContact CG1-CB 4.37Å; V316-A352 HydrophobicContact CG2-CB 4.32Å; F317-A352 PolarHBondContact N-O 2.94Å
353	V	90.2	Very high	89.2	Confident	19 Å²	19	60.2 Å²	60.2	12%	0.115	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	104.8	-179.5	-175.7	0	0	0	0	110.4	Q245 F317 M321 V326 V351	Q245-V353 VanDerWaalsContact NE2-C 3.34Å; Q245-V353 PolarHBondContact NE2-O 3.07Å; Q245-V353 VanDerWaalsContact OE1-C 3.3Å; Q245-V353 PolarHBondContact OE1-O 3.12Å; Q245-V353 VanDerWaalsContact OE1-O 3.13Å; F317-V353 HydrophobicContact CB-CG1 4.47Å; F317-V353 HydrophobicContact CB-CG2 4.25Å; F317-V353 CarbonylContact O-C 3.47Å; F317-V353 WeakPolarHBondContact O-CA 3.47Å; M321-V353 HydrophobicContact CG-CG1 3.82Å; M321-V353 HydrophobicContact SD-CG1 4.42Å; V326-V353 HydrophobicContact CB-CG2 4.41Å; V326-V353 HydrophobicContact CG1-CG2 4.28Å; V326-V353 HydrophobicContact CG2-CG2 4.16Å; V351-V353 HydrophobicContact CG1-CG2 4.46Å
354	C	87.8	Confident	89.4	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.02	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.5	174.7	179.8	0	0	0	0	111.1	T238 F317 R318 G319 I356	T238-C354 HydrophobicContact CG2-CB 3.57Å; F317-C354 PolarHBondContact O-N 3.19Å; R318-C354 CarbonylContact C-O 3.47Å; R318-C354 WeakPolarHBondContact CA-O 3.45Å; R318-C354 HydrophobicContact CG-CB 4.36Å; G319-C354 PolarHBondContact N-O 3.26Å; C354-I356 PolarHBondContact O-N 3.35Å; C354-I356 VanDerWaalsContact O-N 3.16Å
355	D	85.1	Confident	89.7	Confident	102 Å²	102	52.1 Å²	52.1	55%	0.545	29%	0.285	S	S	.	.	S	Bend	trans	-70	-11	180	-75.4	-33.7	0	0	0	114.4	P357	D355-P357 VanDerWaalsContact O-CD 3.26Å; D355-P357 WeakPolarHBondContact O-CD 3.41Å
356	I	84.4	Confident	89.9	Confident	29 Å²	29	51 Å²	51	15%	0.149	28%	0.279	C	S	.	.			trans	-94.6	105	-177.8	-57.5	172.6	0	0	0	109.7	L42 F242 R318 C354	L42-I356 HydrophobicContact CB-CD1 4.03Å; F242-I356 HydrophobicContact CB-CD1 4.43Å; F242-I356 HydrophobicContact CD1-CD1 3.31Å; F242-I356 HydrophobicContact CD2-CD1 4.2Å; F242-I356 HydrophobicContact CE1-CD1 3.4Å; F242-I356 VanDerWaalsContact CE1-CD1 3.4Å; F242-I356 HydrophobicContact CE2-CD1 4.27Å; F242-I356 HydrophobicContact CE2-CG2 4.36Å; F242-I356 HydrophobicContact CG-CD1 3.73Å; F242-I356 HydrophobicContact CZ-CD1 3.9Å; F242-I356 HydrophobicContact CZ-CG2 4.26Å; R318-I356 PolarHBondContact NE-O 3.35Å; R318-I356 VanDerWaalsContact NE-O 3.13Å; R318-I356 PolarHBondContact NH2-O 2.86Å; C354-I356 PolarHBondContact O-N 3.35Å; C354-I356 VanDerWaalsContact O-N 3.16Å
357	P	87.5	Confident	90.2	Very high	43 Å²	43	46.3 Å²	46.3	28%	0.279	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-73.3	156.7	175.1	33.7	-34.7	0	0	0	110.8	D355 L361	D355-P357 VanDerWaalsContact O-CD 3.26Å; D355-P357 WeakPolarHBondContact O-CD 3.41Å; P357-L361 WeakPolarHBondContact CB-O 3.34Å
358	P	88.1	Confident	90.6	Very high	15 Å²	15	40.2 Å²	40.2	10%	0.097	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-59.5	149.2	167.2	-18.3	30	0	0	0	111.1	G360 L361 S364	P358-G360 PolarHBondContact O-N 3.08Å; P358-L361 HydrophobicContact CB-CD1 4.34Å; P358-L361 HydrophobicContact CG-CD1 4.37Å; P358-L361 PolarHBondContact O-N 3.28Å; P358-S364 WeakPolarHBondContact CD-OG 3.17Å; P358-S364 WeakPolarHBondContact CG-OG 3.15Å
359	R	82.7	Confident	90.8	Very high	181 Å²	181	39.8 Å²	39.8	68%	0.683	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	133.2	179.8	-167.5	174.3	-172.4	157.3	9.2	111.1	D26 L361	D26-R359 IonicContact OD1-CZ 3.9Å; D26-R359 IonicContact OD1-NH1 2.75Å; D26-R359 PolarHBondContact OD1-NH1 3.49Å; D26-R359 IonicContact OD2-NH1 2.66Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 3Å
360	G	84.6	Confident	90.9	Very high	84 Å²	84	38.6 Å²	38.6	87%	0.866	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	-5.4	-178.5	0	0	0	0	0	114.9	P358	P358-G360 PolarHBondContact O-N 3.08Å
361	L	89	Confident	91.2	Very high	53 Å²	53	36.6 Å²	36.6	28%	0.277	20%	0.198	S	C	.	.			trans	-115	149.7	174.2	-61.4	177.7	0	0	0	110.7	F270 P272 P357 P358 R359	F270-L361 HydrophobicContact CE1-CD1 4.36Å; F270-L361 HydrophobicContact CZ-CD1 3.93Å; P272-L361 HydrophobicContact CG-CD2 4.4Å; P357-L361 WeakPolarHBondContact CB-O 3.34Å; P358-L361 HydrophobicContact CB-CD1 4.34Å; P358-L361 HydrophobicContact CG-CD1 4.37Å; P358-L361 PolarHBondContact O-N 3.28Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 3Å
362	K	89.8	Confident	91.4	Very high	186 Å²	186	35.4 Å²	35.4	81%	0.809	19%	0.19	S	C	*	.	S	Bend	trans	-85.4	-31.5	171.4	-68.4	-175.1	178.8	180	0	112.1
363	M	93.3	Very high	91.7	Very high	20 Å²	20	35.1 Å²	35.1	10%	0.099	19%	0.188	C	C	.	.			trans	-156	153.3	176	60	-167	-64.4	0	0	109.9	L284 V286 L289 R318 M321	L284-M363 HydrophobicContact CB-CG 3.81Å; L284-M363 HydrophobicContact CB-SD 3.93Å; L284-M363 HydrophobicContact CD1-CG 4.39Å; V286-M363 HydrophobicContact CG2-CE 3.83Å; L289-M363 HydrophobicContact CD1-CB 4.33Å; L289-M363 HydrophobicContact CD1-CE 3.47Å; L289-M363 VanDerWaalsContact CD1-CE 3.47Å; L289-M363 HydrophobicContact CD1-CG 4.03Å; L289-M363 HydrophobicContact CD1-SD 4.47Å; L289-M363 HydrophobicContact CG-CE 4.19Å; R318-M363 CarbonylContact O-C 3.44Å; R318-M363 WeakPolarHBondContact O-CA 3.26Å; R318-M363 WeakPolarHBondContact O-CB 3.5Å; M321-M363 HydrophobicContact CE-CB 3.91Å; M321-M363 HydrophobicContact CE-CE 4.03Å; M321-M363 HydrophobicContact SD-CE 4.23Å
364	S	95.2	Very high	92.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	170.4	173	72	0	0	0	0	109.7	A271 R318 P358	A271-S364 CarbonylContact O-C 3.56Å; A271-S364 VanDerWaalsContact O-CA 3.27Å; A271-S364 WeakPolarHBondContact O-CA 3.42Å; A271-S364 VanDerWaalsContact O-CB 3.26Å; A271-S364 WeakPolarHBondContact O-CB 3.5Å; R318-S364 PolarHBondContact N-O 3.43Å; R318-S364 PolarHBondContact O-N 3.18Å; P358-S364 WeakPolarHBondContact CD-OG 3.17Å; P358-S364 WeakPolarHBondContact CG-OG 3.15Å
365	S	95.5	Very high	92.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.9	168.7	65.6	0	0	0	0	110.6	A271 M293 V316	A271-S365 PolarHBondContact N-O 2.51Å; A271-S365 PolarHBondContact O-N 3.08Å; A271-S365 VanDerWaalsContact O-O 3.1Å; M293-S365 VanDerWaalsContact CG-OG 3.22Å; M293-S365 WeakPolarHBondContact CG-OG 3.37Å; M293-S365 WeakPolarHBondContact SD-CB 3.49Å; M293-S365 PolarHBondContact SD-OG 3.46Å; V316-S365 CarbonylContact O-C 3.5Å; V316-S365 VanDerWaalsContact O-CA 3.22Å; V316-S365 WeakPolarHBondContact O-CA 3.44Å
366	T	95.9	Very high	92.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.1	177.6	-59.3	0	0	0	0	108.2	T232 G235 V236 G269 T315 V316	T232-T366 HydrophobicContact CG2-CG2 4.42Å; G235-T366 VanDerWaalsContact CA-OG1 3.28Å; G235-T366 WeakPolarHBondContact CA-OG1 3.43Å; V236-T366 HydrophobicContact CG2-CG2 3.87Å; G269-T366 WeakPolarHBondContact O-CA 3.43Å; T315-T366 CarbonylContact C-O 3.4Å; T315-T366 VanDerWaalsContact CA-O 3.28Å; T315-T366 WeakPolarHBondContact CA-O 3.42Å; V316-T366 PolarHBondContact N-O 2.97Å; V316-T366 PolarHBondContact O-N 2.9Å
367	F	96.5	Very high	93.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.5	179.6	179	-91.5	0	0	0	109.1	P268 G269 M293 F294 M299 Y310 V313 T315 G369	P268-F367 CarbonylContact C-O 3.56Å; P268-F367 VanDerWaalsContact CA-O 3.23Å; P268-F367 WeakPolarHBondContact CA-O 3.39Å; G269-F367 PolarHBondContact N-O 2.92Å; G269-F367 PolarHBondContact O-N 3.32Å; M293-F367 HydrophobicContact CB-CB 4.05Å; M293-F367 HydrophobicContact CB-CD2 4.07Å; M293-F367 HydrophobicContact CB-CG 4.4Å; M293-F367 HydrophobicContact CG-CB 4.05Å; M293-F367 HydrophobicContact SD-CB 4.15Å; F294-F367 HydrophobicContact CD1-CE2 4.15Å; F294-F367 AromaticContact CE1-CE2 3.78Å; F294-F367 HydrophobicContact CE1-CE2 3.78Å; F294-F367 HydrophobicContact CE1-CZ 4.44Å; F294-F367 HydrophobicContact CE2-CE2 4.28Å; F294-F367 AromaticContact CZ-CE2 3.86Å; F294-F367 HydrophobicContact CZ-CE2 3.86Å; M299-F367 HydrophobicContact CE-CD1 3.67Å; M299-F367 HydrophobicContact CE-CE1 3.39Å; M299-F367 HydrophobicContact CE-CE2 4.34Å; M299-F367 HydrophobicContact CE-CG 4.27Å; M299-F367 HydrophobicContact CE-CZ 3.77Å; M299-F367 HydrophobicContact SD-CD1 3.45Å; M299-F367 WeakPolarHBondContact SD-CD1 3.33Å; M299-F367 HydrophobicContact SD-CE1 3.6Å; M299-F367 VanDerWaalsContact SD-CE1 3.6Å; M299-F367 HydrophobicContact SD-CG 4.31Å; Y310-F367 HydrophobicContact CD1-CZ 4.39Å; Y310-F367 HydrophobicContact CE1-CE1 4.13Å; Y310-F367 AromaticContact CE1-CZ 3.59Å; Y310-F367 HydrophobicContact CE1-CZ 3.59Å; Y310-F367 AromaticContact CZ-CZ 3.85Å; V313-F367 HydrophobicContact CB-CE2 4.42Å; V313-F367 HydrophobicContact CG1-CD2 4.04Å; V313-F367 HydrophobicContact CG1-CE2 3.4Å; V313-F367 VanDerWaalsContact CG1-CE2 3.4Å; V313-F367 HydrophobicContact CG1-CZ 4.01Å; V313-F367 HydrophobicContact CG2-CE2 4.13Å; V313-F367 HydrophobicContact CG2-CZ 3.97Å; T315-F367 HydrophobicContact CG2-CD2 4.06Å; F367-G369 VanDerWaalsContact CE1-CA 3.49Å; F367-G369 VanDerWaalsContact CE1-N 3.3Å
368	I	96.1	Very high	93.8	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	109.5	171.7	-51.6	170.2	0	0	0	105.7	Y200 V236 M257 F266 V313 A314	Y200-I368 HydrophobicContact CD1-CG2 4.46Å; Y200-I368 HydrophobicContact CE1-CD1 4Å; Y200-I368 HydrophobicContact CE1-CG1 4.09Å; Y200-I368 HydrophobicContact CE1-CG2 3.73Å; V236-I368 HydrophobicContact CB-CD1 4.43Å; V236-I368 HydrophobicContact CG1-CD1 4.1Å; V236-I368 HydrophobicContact CG2-CD1 3.99Å; V236-I368 HydrophobicContact CG2-CG1 4.06Å; M257-I368 HydrophobicContact CE-CB 4.31Å; M257-I368 HydrophobicContact CE-CG2 3.93Å; M257-I368 WeakPolarHBondContact CE-O 3.32Å; F266-I368 HydrophobicContact CB-CG2 3.81Å; F266-I368 HydrophobicContact CD1-CG2 4.23Å; F266-I368 HydrophobicContact CD2-CG2 4.09Å; F266-I368 HydrophobicContact CG-CG2 3.78Å; V313-I368 CarbonylContact C-O 3.53Å; V313-I368 WeakPolarHBondContact CA-O 3.43Å; A314-I368 HydrophobicContact CB-CB 4.26Å; A314-I368 HydrophobicContact CB-CD1 4.4Å; A314-I368 PolarHBondContact N-O 3.31Å; A314-I368 PolarHBondContact O-N 3.48Å
369	G	95.9	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.2	177.2	0	0	0	0	0	111.1	F266 M267 F367	F266-G369 WeakPolarHBondContact CA-O 3.33Å; M267-G369 PolarHBondContact N-O 2.81Å; M267-G369 PolarHBondContact O-N 3.38Å; F367-G369 VanDerWaalsContact CE1-CA 3.49Å; F367-G369 VanDerWaalsContact CE1-N 3.3Å
370	N	97.3	Very high	94.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	112.2	160.4	-168.8	-14.7	0	0	0	107.7	M257 L263 F266 Y310 L311 T312	M257-N370 PolarHBondContact O-ND2 3.28Å; L263-N370 PolarHBondContact O-ND2 3.47Å; F266-N370 HydrophobicContact CD1-CB 3.84Å; F266-N370 HydrophobicContact CE1-CB 3.92Å; Y310-N370 CarbonylContact C-O 3.5Å; Y310-N370 WeakPolarHBondContact CA-O 2.99Å; L311-N370 HydrophobicContact CB-CB 4.4Å; L311-N370 PolarHBondContact N-O 3.17Å; T312-N370 PolarHBondContact N-O 3.07Å; T312-N370 PolarHBondContact O-N 3.06Å; T312-N370 VanDerWaalsContact OG1-CB 3.24Å; T312-N370 WeakPolarHBondContact OG1-CB 3.41Å
371	S	97.1	Very high	95.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.7	-178.3	165.9	0	0	0	0	111.8	M267 R309 A373 I374	M267-S371 VanDerWaalsContact CE-CB 3.45Å; R309-S371 VanDerWaalsContact C-OG 3.31Å; R309-S371 CarbonylContact O-C 3.15Å; R309-S371 WeakPolarHBondContact O-CA 3.45Å; R309-S371 WeakPolarHBondContact O-CB 3.32Å; R309-S371 PolarHBondContact O-OG 3.4Å; S371-A373 PolarHBondContact O-N 3.32Å; S371-A373 PolarHBondContact OG-N 3.26Å; S371-I374 WeakPolarHBondContact O-CB 3.14Å; S371-I374 WeakPolarHBondContact O-CG2 3.41Å; S371-I374 PolarHBondContact O-N 2.76Å
372	T	97.6	Very high	95.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-59.8	-18.3	176.8	69.5	0	0	0	0	113.3	G308 R309 L311 I374 Q375 Y422 Q426	G308-T372 VanDerWaalsContact CA-OG1 3.31Å; G308-T372 WeakPolarHBondContact CA-OG1 3.34Å; R309-T372 PolarHBondContact N-OG1 3.3Å; R309-T372 PolarHBondContact O-N 3.47Å; L311-T372 HydrophobicContact CD2-CG2 3.88Å; L311-T372 HydrophobicContact CG-CG2 4.23Å; T372-I374 PolarHBondContact O-N 2.88Å; T372-Q375 WeakPolarHBondContact O-CB 3.35Å; T372-Q375 WeakPolarHBondContact O-CG 3.37Å; T372-Q375 PolarHBondContact O-N 2.85Å; T372-Q375 VanDerWaalsContact O-N 3.17Å; T372-Q375 PolarHBondContact O-NE2 3.42Å; T372-Y422 HydrophobicContact CG2-CD1 4.24Å; T372-Y422 WeakPolarHBondContact CG2-O 3.16Å; T372-Q426 HydrophobicContact CG2-CB 3.89Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.44Å; T372-Q426 PolarHBondContact OG1-OE1 3.46Å
373	A	96.9	Very high	95.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-62.4	-19.5	173.2	0	0	0	0	0	113	M267 C303 D304 S371 Q375 E376	M267-A373 HydrophobicContact CE-CB 4.49Å; C303-A373 HydrophobicContact CB-CB 4.35Å; C303-A373 WeakPolarHBondContact CB-O 3.3Å; C303-A373 PolarHBondContact SG-O 3.05Å; C303-A373 VanDerWaalsContact SG-O 3.34Å; D304-A373 WeakPolarHBondContact O-CB 3.24Å; S371-A373 PolarHBondContact O-N 3.32Å; S371-A373 PolarHBondContact OG-N 3.26Å; A373-Q375 PolarHBondContact O-N 3.19Å; A373-Q375 VanDerWaalsContact O-N 3.08Å; A373-E376 WeakPolarHBondContact O-CB 3.43Å; A373-E376 WeakPolarHBondContact O-CG 3.49Å; A373-E376 PolarHBondContact O-N 3.25Å
374	I	96.9	Very high	95.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-57.6	-23.3	174.3	-163.7	65.2	0	0	0	112.2	C201 F265 M267 A301 S371 T372 E376 L377 F378 Y422	C201-I374 HydrophobicContact CB-CD1 4.04Å; F265-I374 HydrophobicContact CB-CG1 4.08Å; M267-I374 HydrophobicContact CG-CD1 3.75Å; M267-I374 HydrophobicContact SD-CD1 4.45Å; A301-I374 HydrophobicContact CB-CD1 4.18Å; S371-I374 WeakPolarHBondContact O-CB 3.14Å; S371-I374 WeakPolarHBondContact O-CG2 3.41Å; S371-I374 PolarHBondContact O-N 2.76Å; T372-I374 PolarHBondContact O-N 2.88Å; I374-E376 PolarHBondContact O-N 2.99Å; I374-E376 VanDerWaalsContact O-N 3.11Å; I374-L377 HydrophobicContact CD1-CB 4.32Å; I374-L377 HydrophobicContact CD1-CD1 4.23Å; I374-L377 VanDerWaalsContact O-CB 3.27Å; I374-L377 WeakPolarHBondContact O-CB 3.31Å; I374-L377 PolarHBondContact O-N 3.07Å; I374-F378 HydrophobicContact CG1-CE2 4.14Å; I374-F378 HydrophobicContact CG1-CZ 4.07Å; I374-F378 HydrophobicContact CG2-CE2 3.97Å; I374-Y422 HydrophobicContact CG2-CD1 4.15Å; I374-Y422 HydrophobicContact CG2-CD2 4.25Å; I374-Y422 HydrophobicContact CG2-CE1 3.6Å; I374-Y422 HydrophobicContact CG2-CE2 3.78Å; I374-Y422 HydrophobicContact CG2-CG 4.42Å; I374-Y422 VanDerWaalsContact CG2-CZ 3.41Å
375	Q	96	Very high	95.8	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.028	9%	0.09	C	C	.	.	H	α-helix	trans	-56.6	-26.8	174.2	76.8	177.9	-62.5	0	0	113.3	T372 A373 L377 F378 K379 V419 Q426	T372-Q375 WeakPolarHBondContact O-CB 3.35Å; T372-Q375 WeakPolarHBondContact O-CG 3.37Å; T372-Q375 PolarHBondContact O-N 2.85Å; T372-Q375 VanDerWaalsContact O-N 3.17Å; T372-Q375 PolarHBondContact O-NE2 3.42Å; A373-Q375 PolarHBondContact O-N 3.19Å; A373-Q375 VanDerWaalsContact O-N 3.08Å; Q375-L377 VanDerWaalsContact C-N 3.26Å; Q375-L377 PolarHBondContact O-N 3.21Å; Q375-F378 PolarHBondContact O-N 3.1Å; Q375-K379 WeakPolarHBondContact O-CB 3.3Å; Q375-K379 VanDerWaalsContact O-CG 3.3Å; Q375-K379 WeakPolarHBondContact O-CG 3.2Å; Q375-K379 PolarHBondContact O-N 2.85Å; Q375-V419 HydrophobicContact CB-CG1 4.46Å; Q375-V419 HydrophobicContact CB-CG2 4.47Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.07Å
376	E	95.1	Very high	95.9	Very high	58 Å²	58	22.3 Å²	22.3	27%	0.271	11%	0.107	S	C	.	.	H	α-helix	trans	-61.4	-36.7	175.4	-65.2	-171.5	142.9	0	0	111.8	C303 D304 H307 A373 I374 R380	C303-E376 WeakPolarHBondContact CA-OE2 3.41Å; D304-E376 PolarHBondContact N-OE2 3.17Å; H307-E376 WeakPolarHBondContact CB-OE1 3.48Å; H307-E376 IonicContact CE1-OE1 3.69Å; H307-E376 IonicContact CG-OE1 3.83Å; H307-E376 IonicContact ND1-OE1 3.32Å; H307-E376 PolarHBondContact ND1-OE1 3.47Å; H307-E376 IonicContact ND1-OE2 2.89Å; A373-E376 WeakPolarHBondContact O-CB 3.43Å; A373-E376 WeakPolarHBondContact O-CG 3.49Å; A373-E376 PolarHBondContact O-N 3.25Å; I374-E376 PolarHBondContact O-N 2.99Å; I374-E376 VanDerWaalsContact O-N 3.11Å; E376-R380 WeakPolarHBondContact O-CB 3.5Å; E376-R380 PolarHBondContact O-N 3.03Å
377	L	94.9	Very high	95.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-44.8	177	-176.7	146.9	0	0	0	110.6	V170 C201 D203 A301 I374 Q375 R380 I381	V170-L377 HydrophobicContact CB-CD1 4.34Å; V170-L377 HydrophobicContact CG1-CD1 4.12Å; V170-L377 HydrophobicContact CG1-CD2 3.94Å; V170-L377 HydrophobicContact CG1-CG 4.12Å; V170-L377 HydrophobicContact CG2-CD1 4.04Å; V170-L377 HydrophobicContact CG2-CD2 4.22Å; C201-L377 HydrophobicContact CB-CD1 4.42Å; D203-L377 HydrophobicContact CB-CD1 4.48Å; A301-L377 HydrophobicContact CB-CD1 4.34Å; I374-L377 HydrophobicContact CD1-CB 4.32Å; I374-L377 HydrophobicContact CD1-CD1 4.23Å; I374-L377 VanDerWaalsContact O-CB 3.27Å; I374-L377 WeakPolarHBondContact O-CB 3.31Å; I374-L377 PolarHBondContact O-N 3.07Å; Q375-L377 VanDerWaalsContact C-N 3.26Å; Q375-L377 PolarHBondContact O-N 3.21Å; L377-R380 PolarHBondContact O-N 3.47Å; L377-I381 HydrophobicContact CD2-CD1 3.72Å; L377-I381 HydrophobicContact CG-CD1 4.5Å; L377-I381 WeakPolarHBondContact O-CG1 3.48Å; L377-I381 PolarHBondContact O-N 2.91Å
378	F	96.4	Very high	95.8	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-67.8	-44.2	178	-55.1	-42	0	0	0	112.1	I189 F265 I374 Q375 R380 I381 S382 M415 L418 V419 Y422	I189-F378 HydrophobicContact CD1-CD1 3.89Å; I189-F378 HydrophobicContact CD1-CE1 4.16Å; I189-F378 HydrophobicContact CG1-CE1 4.44Å; I189-F378 HydrophobicContact CG2-CD1 4.4Å; I189-F378 HydrophobicContact CG2-CE1 4.3Å; F265-F378 HydrophobicContact CB-CZ 4.09Å; F265-F378 HydrophobicContact CD1-CE1 4.23Å; F265-F378 AromaticContact CD1-CZ 3.76Å; F265-F378 HydrophobicContact CD1-CZ 3.76Å; F265-F378 HydrophobicContact CD2-CE2 4.45Å; F265-F378 AromaticContact CD2-CZ 3.92Å; F265-F378 HydrophobicContact CD2-CZ 3.92Å; F265-F378 HydrophobicContact CE1-CE1 4.31Å; F265-F378 HydrophobicContact CE1-CZ 4.1Å; F265-F378 HydrophobicContact CE2-CZ 4.24Å; F265-F378 HydrophobicContact CG-CE2 4.47Å; F265-F378 AromaticContact CG-CZ 3.65Å; F265-F378 HydrophobicContact CG-CZ 3.65Å; F265-F378 HydrophobicContact CZ-CZ 4.33Å; I374-F378 HydrophobicContact CG1-CE2 4.14Å; I374-F378 HydrophobicContact CG1-CZ 4.07Å; I374-F378 HydrophobicContact CG2-CE2 3.97Å; Q375-F378 PolarHBondContact O-N 3.1Å; F378-R380 VanDerWaalsContact C-N 3.31Å; F378-R380 PolarHBondContact O-N 3.39Å; F378-I381 PolarHBondContact O-N 3.03Å; F378-I381 VanDerWaalsContact O-N 3.17Å; F378-S382 WeakPolarHBondContact O-CB 3.31Å; F378-S382 PolarHBondContact O-N 2.96Å; F378-M415 HydrophobicContact CB-CG 4.11Å; F378-M415 HydrophobicContact CB-SD 4.34Å; F378-L418 HydrophobicContact CD2-CD2 3.88Å; F378-L418 HydrophobicContact CD2-CG 4.45Å; F378-L418 HydrophobicContact CE1-CD2 4.47Å; F378-L418 HydrophobicContact CE2-CD2 3.6Å; F378-L418 HydrophobicContact CE2-CG 4.31Å; F378-L418 HydrophobicContact CG-CD2 4.45Å; F378-L418 HydrophobicContact CZ-CD2 3.93Å; F378-V419 HydrophobicContact CB-CG2 3.62Å; F378-V419 HydrophobicContact CD2-CG2 4.36Å; F378-V419 HydrophobicContact CG-CG2 4.48Å; F378-Y422 HydrophobicContact CD2-CE2 4.41Å; F378-Y422 HydrophobicContact CE2-CD2 4.23Å; F378-Y422 AromaticContact CE2-CE2 3.71Å; F378-Y422 HydrophobicContact CE2-CE2 3.71Å
379	K	95.7	Very high	95.8	Very high	80 Å²	80	27.9 Å²	27.9	35%	0.348	14%	0.142	S	C	.	.	H	α-helix	trans	-56.9	-44.4	174.9	-73.4	175.7	-172.7	176.2	0	111.5	Q375 I381 S382 E383 V419	Q375-K379 WeakPolarHBondContact O-CB 3.3Å; Q375-K379 VanDerWaalsContact O-CG 3.3Å; Q375-K379 WeakPolarHBondContact O-CG 3.2Å; Q375-K379 PolarHBondContact O-N 2.85Å; K379-I381 VanDerWaalsContact C-N 3.35Å; K379-I381 PolarHBondContact O-N 3.34Å; K379-S382 PolarHBondContact O-N 2.87Å; K379-E383 WeakPolarHBondContact O-CG 3.48Å; K379-E383 PolarHBondContact O-N 2.93Å; K379-V419 HydrophobicContact CD-CG1 4.27Å; K379-V419 HydrophobicContact CG-CG1 3.99Å; K379-V419 HydrophobicContact CG-CG2 4.27Å
380	R	94	Very high	95.8	Very high	45 Å²	45	38.5 Å²	38.5	17%	0.17	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-41	177.6	-176.9	-176.7	60.7	-169	-15.1	112.5	D203 E205 E376 L377 F378 Q384	D203-R380 IonicContact OD1-NH2 3.07Å; D203-R380 IonicContact OD2-CZ 3.44Å; D203-R380 VanDerWaalsContact OD2-CZ 3.24Å; D203-R380 IonicContact OD2-NH1 3.91Å; D203-R380 PolarHBondContact OD2-NH1 3.38Å; D203-R380 IonicContact OD2-NH2 3.97Å; D203-R380 PolarHBondContact OD2-NH2 3.16Å; E205-R380 IonicContact OE2-CZ 2.6Å; E205-R380 IonicContact OE2-NH1 2.7Å; E205-R380 PolarHBondContact OE2-NH1 3.44Å; E376-R380 WeakPolarHBondContact O-CB 3.5Å; E376-R380 PolarHBondContact O-N 3.03Å; L377-R380 PolarHBondContact O-N 3.47Å; F378-R380 VanDerWaalsContact C-N 3.31Å; F378-R380 PolarHBondContact O-N 3.39Å; R380-Q384 WeakPolarHBondContact O-CG 3.39Å; R380-Q384 PolarHBondContact O-N 2.79Å
381	I	94.7	Very high	95.7	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-68.7	-46.1	176.8	-66.3	165.7	0	0	0	110.1	V170 A185 T186 I189 L377 F378 K379 E383 Q384 F385 M415	V170-I381 HydrophobicContact CG1-CD1 3.76Å; A185-I381 HydrophobicContact CB-CD1 4.25Å; A185-I381 HydrophobicContact CB-CG2 3.93Å; T186-I381 WeakPolarHBondContact OG1-CG2 3.39Å; I189-I381 HydrophobicContact CD1-CD1 3.56Å; I189-I381 HydrophobicContact CD1-CG2 4.5Å; L377-I381 HydrophobicContact CD2-CD1 3.72Å; L377-I381 HydrophobicContact CG-CD1 4.5Å; L377-I381 WeakPolarHBondContact O-CG1 3.48Å; L377-I381 PolarHBondContact O-N 2.91Å; F378-I381 PolarHBondContact O-N 3.03Å; F378-I381 VanDerWaalsContact O-N 3.17Å; K379-I381 VanDerWaalsContact C-N 3.35Å; K379-I381 PolarHBondContact O-N 3.34Å; I381-E383 PolarHBondContact O-N 3.06Å; I381-Q384 PolarHBondContact O-N 3.26Å; I381-F385 WeakPolarHBondContact O-CB 3.22Å; I381-F385 PolarHBondContact O-N 3.07Å; I381-M415 HydrophobicContact CB-SD 4.44Å; I381-M415 HydrophobicContact CG2-CE 4.49Å; I381-M415 HydrophobicContact CG2-SD 4.25Å
382	S	95.3	Very high	95.6	Very high	11 Å²	11	54.4 Å²	54.4	8%	0.077	25%	0.245	C	C	.	.	H	α-helix	trans	-55.4	-49	177.4	-168.2	0	0	0	0	111.8	F378 K379 Q384 F385 T386 M415 N416	F378-S382 WeakPolarHBondContact O-CB 3.31Å; F378-S382 PolarHBondContact O-N 2.96Å; K379-S382 PolarHBondContact O-N 2.87Å; S382-Q384 VanDerWaalsContact C-N 3.31Å; S382-Q384 PolarHBondContact O-N 2.9Å; S382-F385 WeakPolarHBondContact O-CB 3.3Å; S382-F385 PolarHBondContact O-N 2.77Å; S382-T386 PolarHBondContact O-N 3.49Å; S382-T386 PolarHBondContact O-OG1 3.19Å; S382-M415 VanDerWaalsContact CA-CE 3.49Å; S382-M415 VanDerWaalsContact CB-CE 3.48Å; S382-N416 PolarHBondContact OG-OD1 2.74Å
383	E	95	Very high	95.5	Very high	141 Å²	141	55.8 Å²	55.8	66%	0.659	26%	0.257	S	S	*	.	H	α-helix	trans	-57.8	-42.1	178.5	-75.2	175.2	-174	0	0	113	K379 I381 A387	K379-E383 WeakPolarHBondContact O-CG 3.48Å; K379-E383 PolarHBondContact O-N 2.93Å; I381-E383 PolarHBondContact O-N 3.06Å; E383-A387 WeakPolarHBondContact O-CB 3.48Å; E383-A387 PolarHBondContact O-N 3.23Å
384	Q	94.2	Very high	95.5	Very high	61 Å²	61	59.1 Å²	59.1	29%	0.285	27%	0.271	S	S	.	.	H	α-helix	trans	-70.5	-42.5	178.2	-67.1	173.6	11.7	0	0	111.4	P182 R380 I381 S382 A387 M388	P182-Q384 HydrophobicContact CB-CB 3.85Å; P182-Q384 HydrophobicContact CG-CB 3.69Å; R380-Q384 WeakPolarHBondContact O-CG 3.39Å; R380-Q384 PolarHBondContact O-N 2.79Å; I381-Q384 PolarHBondContact O-N 3.26Å; S382-Q384 VanDerWaalsContact C-N 3.31Å; S382-Q384 PolarHBondContact O-N 2.9Å; Q384-A387 PolarHBondContact O-N 3.03Å; Q384-M388 WeakPolarHBondContact O-CG 3.45Å; Q384-M388 PolarHBondContact O-N 3.3Å
385	F	95.7	Very high	95.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.3	-56.6	174.2	175	-82	0	0	0	110.9	P182 Y183 T186 I381 S382 A387 M388 F389 F408 E412	P182-F385 HydrophobicContact CB-CB 4.38Å; Y183-F385 AromaticContact CD1-CD2 3.47Å; Y183-F385 HydrophobicContact CD1-CD2 3.47Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.47Å; Y183-F385 AromaticContact CD1-CE2 3.5Å; Y183-F385 HydrophobicContact CD1-CE2 3.5Å; Y183-F385 HydrophobicContact CD1-CG 4.36Å; Y183-F385 HydrophobicContact CD1-CZ 4.38Å; Y183-F385 HydrophobicContact CE1-CD2 4.04Å; Y183-F385 HydrophobicContact CE1-CE2 4.01Å; Y183-F385 HydrophobicContact CE1-CZ 4.49Å; T186-F385 HydrophobicContact CG2-CD2 3.7Å; T186-F385 HydrophobicContact CG2-CE2 3.73Å; T186-F385 HydrophobicContact CG2-CG 4.25Å; T186-F385 HydrophobicContact CG2-CZ 4.34Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.43Å; I381-F385 WeakPolarHBondContact O-CB 3.22Å; I381-F385 PolarHBondContact O-N 3.07Å; S382-F385 WeakPolarHBondContact O-CB 3.3Å; S382-F385 PolarHBondContact O-N 2.77Å; F385-A387 VanDerWaalsContact C-N 3.26Å; F385-A387 PolarHBondContact O-N 3.11Å; F385-M388 PolarHBondContact O-N 3.07Å; F385-F389 HydrophobicContact CD1-CB 4.22Å; F385-F389 HydrophobicContact CE1-CB 3.86Å; F385-F389 HydrophobicContact CE1-CD1 4.39Å; F385-F389 HydrophobicContact CE1-CD2 4.33Å; F385-F389 AromaticContact CE1-CG 3.95Å; F385-F389 HydrophobicContact CE1-CG 3.95Å; F385-F389 HydrophobicContact CZ-CB 4.36Å; F385-F389 HydrophobicContact CZ-CD2 4.13Å; F385-F389 HydrophobicContact CZ-CG 4.22Å; F385-F389 WeakPolarHBondContact O-CB 3.23Å; F385-F389 PolarHBondContact O-N 3.42Å; F385-F408 AromaticContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CZ-CB 4.03Å; F385-F408 AromaticContact CZ-CD1 3.93Å; F385-F408 HydrophobicContact CZ-CD1 3.93Å; F385-F408 WeakPolarHBondContact CZ-O 3.41Å; F385-E412 HydrophobicContact CD1-CB 4.2Å; F385-E412 HydrophobicContact CD1-CG 3.98Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.33Å; F385-E412 HydrophobicContact CE1-CB 3.63Å; F385-E412 VanDerWaalsContact CE1-CD 3.46Å; F385-E412 HydrophobicContact CE1-CG 3.81Å; F385-E412 HydrophobicContact CZ-CB 4.12Å
386	T	96.5	Very high	95.4	Very high	58 Å²	58	65.2 Å²	65.2	36%	0.356	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-39.7	-176.9	-53.5	0	0	0	0	111	S382 M388 F389 R390 E412	S382-T386 PolarHBondContact O-N 3.49Å; S382-T386 PolarHBondContact O-OG1 3.19Å; T386-M388 VanDerWaalsContact C-N 3.32Å; T386-M388 PolarHBondContact O-N 3.08Å; T386-F389 PolarHBondContact O-N 2.87Å; T386-R390 WeakPolarHBondContact O-CB 3.41Å; T386-R390 PolarHBondContact O-N 3.09Å; T386-E412 PolarHBondContact OG1-OE1 3.04Å
387	A	94.7	Very high	95.5	Very high	54 Å²	54	67.9 Å²	67.9	45%	0.446	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-38	177.7	0	0	0	0	0	112.8	E383 Q384 F385	E383-A387 WeakPolarHBondContact O-CB 3.48Å; E383-A387 PolarHBondContact O-N 3.23Å; Q384-A387 PolarHBondContact O-N 3.03Å; F385-A387 VanDerWaalsContact C-N 3.26Å; F385-A387 PolarHBondContact O-N 3.11Å
388	M	95.1	Very high	95.6	Very high	30 Å²	30	67.8 Å²	67.8	15%	0.148	31%	0.307	C	S	.	.	H	α-helix	trans	-76.1	-47.6	175.7	-68.3	-178.5	62.9	0	0	112.1	V179 P182 Y183 Q384 F385 T386 R390 R391 K392 A393 F394	V179-M388 WeakPolarHBondContact O-CE 3.48Å; V179-M388 VanDerWaalsContact O-SD 3.36Å; P182-M388 HydrophobicContact CB-SD 4.13Å; P182-M388 HydrophobicContact CG-SD 3.78Å; Y183-M388 HydrophobicContact CD2-CE 4.14Å; Y183-M388 HydrophobicContact CE1-CB 4.02Å; Y183-M388 HydrophobicContact CE2-CB 4.49Å; Y183-M388 HydrophobicContact CE2-CE 3.83Å; Y183-M388 PolarHBondContact OH-O 3.13Å; Q384-M388 WeakPolarHBondContact O-CG 3.45Å; Q384-M388 PolarHBondContact O-N 3.3Å; F385-M388 PolarHBondContact O-N 3.07Å; T386-M388 VanDerWaalsContact C-N 3.32Å; T386-M388 PolarHBondContact O-N 3.08Å; M388-R390 PolarHBondContact O-N 3.25Å; M388-R391 PolarHBondContact O-N 3.45Å; M388-R391 VanDerWaalsContact O-N 3.08Å; M388-K392 PolarHBondContact O-N 3.18Å; M388-A393 PolarHBondContact O-N 2.99Å; M388-F394 HydrophobicContact CE-CD2 3.85Å; M388-F394 HydrophobicContact CE-CE2 4.39Å
389	F	96.2	Very high	95.7	Very high	34 Å²	34	70.5 Å²	70.5	15%	0.149	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-44	-175.2	-168.2	-109.1	0	0	0	111.6	Y183 F385 T386 R391 K392 L395 E405 F408	Y183-F389 HydrophobicContact CE1-CB 4.09Å; Y183-F389 HydrophobicContact CE1-CD2 4.19Å; Y183-F389 WeakPolarHBondContact OH-CA 3.41Å; Y183-F389 PolarHBondContact OH-N 3.48Å; F385-F389 HydrophobicContact CD1-CB 4.22Å; F385-F389 HydrophobicContact CE1-CB 3.86Å; F385-F389 HydrophobicContact CE1-CD1 4.39Å; F385-F389 HydrophobicContact CE1-CD2 4.33Å; F385-F389 AromaticContact CE1-CG 3.95Å; F385-F389 HydrophobicContact CE1-CG 3.95Å; F385-F389 HydrophobicContact CZ-CB 4.36Å; F385-F389 HydrophobicContact CZ-CD2 4.13Å; F385-F389 HydrophobicContact CZ-CG 4.22Å; F385-F389 WeakPolarHBondContact O-CB 3.23Å; F385-F389 PolarHBondContact O-N 3.42Å; T386-F389 PolarHBondContact O-N 2.87Å; F389-R391 PolarHBondContact O-N 3Å; F389-R391 VanDerWaalsContact O-N 3.1Å; F389-K392 WeakPolarHBondContact O-CA 3.43Å; F389-K392 PolarHBondContact O-N 2.82Å; F389-L395 HydrophobicContact CD2-CD1 4.06Å; F389-L395 HydrophobicContact CD2-CD2 3.73Å; F389-L395 HydrophobicContact CD2-CG 4.49Å; F389-L395 HydrophobicContact CE2-CD1 3.85Å; F389-L395 HydrophobicContact CE2-CD2 3.89Å; F389-E405 HydrophobicContact CE2-CG 4.39Å; F389-E405 HydrophobicContact CZ-CG 4.22Å; F389-F408 HydrophobicContact CD2-CB 4.09Å; F389-F408 HydrophobicContact CD2-CD1 4.3Å; F389-F408 HydrophobicContact CD2-CG 4.3Å; F389-F408 HydrophobicContact CE2-CB 3.44Å; F389-F408 VanDerWaalsContact CE2-CB 3.44Å; F389-F408 HydrophobicContact CE2-CD1 4.27Å; F389-F408 HydrophobicContact CE2-CD2 4.41Å; F389-F408 AromaticContact CE2-CG 3.81Å; F389-F408 HydrophobicContact CE2-CG 3.81Å; F389-F408 HydrophobicContact CZ-CB 3.94Å
390	R	95.7	Very high	95.7	Very high	224 Å²	224	69.7 Å²	69.7	85%	0.845	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.3	176.2	-177.6	176.5	177.6	179	2.4	113.3	T386 M388	T386-R390 WeakPolarHBondContact O-CB 3.41Å; T386-R390 PolarHBondContact O-N 3.09Å; M388-R390 PolarHBondContact O-N 3.25Å
391	R	96.2	Very high	95.8	Very high	210 Å²	210	70.1 Å²	70.1	79%	0.792	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-1	178.3	-63.4	179	-178.3	178.7	2.9	112.7	M388 F389 A393	M388-R391 PolarHBondContact O-N 3.45Å; M388-R391 VanDerWaalsContact O-N 3.08Å; F389-R391 PolarHBondContact O-N 3Å; F389-R391 VanDerWaalsContact O-N 3.1Å; R391-A393 HydrophobicContact CB-CB 4.48Å; R391-A393 PolarHBondContact O-N 2.65Å; R391-A393 VanDerWaalsContact O-N 3.16Å
392	K	95.8	Very high	95.8	Very high	124 Å²	124	72.9 Å²	72.9	54%	0.539	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	32.4	-169.6	-58.3	-165.5	176.3	-121	0	112.5	M388 F389 F394 L395 E405	M388-K392 PolarHBondContact O-N 3.18Å; F389-K392 WeakPolarHBondContact O-CA 3.43Å; F389-K392 PolarHBondContact O-N 2.82Å; K392-F394 PolarHBondContact O-N 3.25Å; K392-L395 HydrophobicContact CB-CD1 3.74Å; K392-L395 HydrophobicContact CB-CG 4.33Å; K392-L395 HydrophobicContact CD-CD1 4.45Å; K392-L395 HydrophobicContact CG-CD1 3.85Å; K392-E405 IonicContact NZ-OE1 2.7Å; K392-E405 PolarHBondContact NZ-OE1 3.34Å; K392-E405 IonicContact NZ-OE2 3.48Å; K392-E405 PolarHBondContact NZ-OE2 3.27Å
393	A	95.4	Very high	95.9	Very high	29 Å²	29	72.6 Å²	72.6	24%	0.24	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	129.7	-178.2	0	0	0	0	0	109	Y183 M388 R391 L395	Y183-A393 WeakPolarHBondContact CE2-O 3.13Å; Y183-A393 PolarHBondContact OH-O 3.17Å; M388-A393 PolarHBondContact O-N 2.99Å; R391-A393 HydrophobicContact CB-CB 4.48Å; R391-A393 PolarHBondContact O-N 2.65Å; R391-A393 VanDerWaalsContact O-N 3.16Å; A393-L395 PolarHBondContact O-N 3.05Å
394	F	95.8	Very high	96	Very high	69 Å²	69	69.9 Å²	69.9	30%	0.303	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	3.9	176.9	-48.1	-75.9	0	0	0	117.2	V179 V180 M388 K392 H396 W397	V179-F394 HydrophobicContact CB-CE2 4.28Å; V179-F394 HydrophobicContact CG2-CD2 4.27Å; V179-F394 HydrophobicContact CG2-CE1 4.27Å; V179-F394 HydrophobicContact CG2-CE2 3.75Å; V179-F394 HydrophobicContact CG2-CZ 3.76Å; V180-F394 HydrophobicContact CG1-CB 3.9Å; V180-F394 HydrophobicContact CG1-CD2 4.17Å; V180-F394 HydrophobicContact CG1-CG 4.01Å; M388-F394 HydrophobicContact CE-CD2 3.85Å; M388-F394 HydrophobicContact CE-CE2 4.39Å; K392-F394 PolarHBondContact O-N 3.25Å; F394-H396 PolarHBondContact O-N 3.38Å; F394-H396 VanDerWaalsContact O-N 3.16Å; F394-W397 HydrophobicContact CB-CD2 4.3Å; F394-W397 HydrophobicContact CB-CE3 4.41Å; F394-W397 HydrophobicContact CD1-CD2 4.15Å; F394-W397 AromaticContact CD1-CE2 3.88Å; F394-W397 HydrophobicContact CD1-CE3 4.22Å; F394-W397 AromaticContact CD1-CH2 3.81Å; F394-W397 HydrophobicContact CD1-CH2 3.81Å; F394-W397 AromaticContact CD1-CZ2 3.72Å; F394-W397 HydrophobicContact CD1-CZ2 3.72Å; F394-W397 HydrophobicContact CD1-CZ3 4.06Å; F394-W397 HydrophobicContact CE1-CH2 4.03Å; F394-W397 HydrophobicContact CE1-CZ2 4.08Å; F394-W397 VanDerWaalsContact O-CB 3.3Å; F394-W397 WeakPolarHBondContact O-CB 3.37Å; F394-W397 PolarHBondContact O-N 2.99Å
395	L	95.7	Very high	96	Very high	9 Å²	9	70.5 Å²	70.5	5%	0.047	36%	0.362	C	S	.	.	H	α-helix	trans	-56.3	-37.5	-177.4	-68.1	-175.2	0	0	0	113.5	Y183 F389 K392 A393 W397 Y398 T399 F408	Y183-L395 HydrophobicContact CE1-CD2 4.15Å; Y183-L395 HydrophobicContact CE2-CD2 3.86Å; Y183-L395 WeakPolarHBondContact OH-CD2 3.28Å; F389-L395 HydrophobicContact CD2-CD1 4.06Å; F389-L395 HydrophobicContact CD2-CD2 3.73Å; F389-L395 HydrophobicContact CD2-CG 4.49Å; F389-L395 HydrophobicContact CE2-CD1 3.85Å; F389-L395 HydrophobicContact CE2-CD2 3.89Å; K392-L395 HydrophobicContact CB-CD1 3.74Å; K392-L395 HydrophobicContact CB-CG 4.33Å; K392-L395 HydrophobicContact CD-CD1 4.45Å; K392-L395 HydrophobicContact CG-CD1 3.85Å; A393-L395 PolarHBondContact O-N 3.05Å; L395-W397 PolarHBondContact O-N 2.98Å; L395-W397 VanDerWaalsContact O-N 3.09Å; L395-Y398 PolarHBondContact O-N 3.05Å; L395-T399 PolarHBondContact O-N 2.74Å; L395-T399 PolarHBondContact O-OG1 3.4Å; L395-F408 HydrophobicContact CD2-CD1 4.36Å; L395-F408 HydrophobicContact CD2-CE1 4.1Å; L395-F408 HydrophobicContact CD2-CE2 4.3Å; L395-F408 HydrophobicContact CD2-CZ 4.06Å
396	H	95.8	Very high	96.1	Very high	125 Å²	125	76.5 Å²	76.5	58%	0.579	39%	0.391	S	S	*	.	H	α-helix	trans	-60.4	-17.9	177	66.8	-74.7	0	0	0	114.2	F394 Y398 T399 G400	F394-H396 PolarHBondContact O-N 3.38Å; F394-H396 VanDerWaalsContact O-N 3.16Å; H396-Y398 VanDerWaalsContact C-N 3.34Å; H396-T399 WeakPolarHBondContact CA-OG1 3.35Å; H396-G400 PolarHBondContact O-N 3.29Å; H396-G400 VanDerWaalsContact O-N 3.1Å
397	W	96.6	Very high	96.1	Very high	114 Å²	114	75.8 Å²	75.8	43%	0.432	38%	0.384	S	S	.	.	H	α-helix	trans	-72.7	-30.9	172.6	-64.4	3.4	0	0	0	111.3	N100 V180 F394 L395 E401	N100-W397 PolarHBondContact ND2-O 3.03Å; V180-W397 HydrophobicContact CG1-CE3 4.2Å; V180-W397 HydrophobicContact CG1-CZ3 4.29Å; F394-W397 HydrophobicContact CB-CD2 4.3Å; F394-W397 HydrophobicContact CB-CE3 4.41Å; F394-W397 HydrophobicContact CD1-CD2 4.15Å; F394-W397 AromaticContact CD1-CE2 3.88Å; F394-W397 HydrophobicContact CD1-CE3 4.22Å; F394-W397 AromaticContact CD1-CH2 3.81Å; F394-W397 HydrophobicContact CD1-CH2 3.81Å; F394-W397 AromaticContact CD1-CZ2 3.72Å; F394-W397 HydrophobicContact CD1-CZ2 3.72Å; F394-W397 HydrophobicContact CD1-CZ3 4.06Å; F394-W397 HydrophobicContact CE1-CH2 4.03Å; F394-W397 HydrophobicContact CE1-CZ2 4.08Å; F394-W397 VanDerWaalsContact O-CB 3.3Å; F394-W397 WeakPolarHBondContact O-CB 3.37Å; F394-W397 PolarHBondContact O-N 2.99Å; L395-W397 PolarHBondContact O-N 2.98Å; L395-W397 VanDerWaalsContact O-N 3.09Å; W397-E401 WeakPolarHBondContact O-CG 3.48Å
398	Y	98.2	Very high	96.3	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-88.1	-47.8	-179.6	-67.3	-108.2	0	0	0	110.8	N100 W101 A102 V180 Y183 N184 L187 L395 H396 G400 E401 M403 F408	N100-Y398 WeakPolarHBondContact OD1-CD1 3.39Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.31Å; W101-Y398 HydrophobicContact CB-CE1 3.97Å; A102-Y398 HydrophobicContact CB-CD1 3.81Å; A102-Y398 HydrophobicContact CB-CG 4.26Å; V180-Y398 HydrophobicContact CB-CE2 4.35Å; V180-Y398 WeakPolarHBondContact CB-OH 3.23Å; V180-Y398 HydrophobicContact CG1-CE2 4.43Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.5Å; V180-Y398 PolarHBondContact O-OH 2.86Å; Y183-Y398 HydrophobicContact CD2-CD2 4.37Å; Y183-Y398 AromaticContact CD2-CE2 3.7Å; Y183-Y398 HydrophobicContact CD2-CE2 3.7Å; Y183-Y398 HydrophobicContact CG-CE2 4.46Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.23Å; N184-Y398 PolarHBondContact OD1-OH 2.87Å; L187-Y398 HydrophobicContact CD1-CD1 4.17Å; L187-Y398 HydrophobicContact CD1-CE1 4.1Å; L395-Y398 PolarHBondContact O-N 3.05Å; H396-Y398 VanDerWaalsContact C-N 3.34Å; Y398-G400 PolarHBondContact O-N 2.87Å; Y398-E401 WeakPolarHBondContact O-CB 3.42Å; Y398-E401 PolarHBondContact O-N 3.45Å; Y398-M403 HydrophobicContact CD1-SD 4.06Å; Y398-M403 WeakPolarHBondContact O-CB 3.22Å; Y398-F408 HydrophobicContact CD1-CE1 4.37Å; Y398-F408 AromaticContact CD1-CZ 3.72Å; Y398-F408 HydrophobicContact CD1-CZ 3.72Å; Y398-F408 HydrophobicContact CD2-CZ 4.1Å; Y398-F408 HydrophobicContact CE1-CZ 4.44Å; Y398-F408 HydrophobicContact CG-CE1 4.43Å; Y398-F408 HydrophobicContact CG-CE2 4.37Å; Y398-F408 AromaticContact CG-CZ 3.54Å; Y398-F408 HydrophobicContact CG-CZ 3.54Å
399	T	97	Very high	96.3	Very high	57 Å²	57	75.2 Å²	75.2	35%	0.35	38%	0.377	S	S	.	.	H	α-helix	trans	-67.8	-25.7	178.6	62.5	0	0	0	0	112.6	L395 H396 E401 G402 M403	L395-T399 PolarHBondContact O-N 2.74Å; L395-T399 PolarHBondContact O-OG1 3.4Å; H396-T399 WeakPolarHBondContact CA-OG1 3.35Å; T399-E401 PolarHBondContact O-N 2.95Å; T399-G402 PolarHBondContact O-N 2.98Å; T399-G402 VanDerWaalsContact O-N 3.11Å; T399-M403 WeakPolarHBondContact CA-O 3.36Å
400	G	96.4	Very high	96.4	Very high	64 Å²	64	79 Å²	79	66%	0.66	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.7	170.7	0	0	0	0	0	114.1	H396 Y398 G402	H396-G400 PolarHBondContact O-N 3.29Å; H396-G400 VanDerWaalsContact O-N 3.1Å; Y398-G400 PolarHBondContact O-N 2.87Å; G400-G402 VanDerWaalsContact C-N 3.33Å
401	E	96.6	Very high	96.5	Very high	54 Å²	54	68.3 Å²	68.3	25%	0.252	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.6	175.2	-57.6	-70.2	153.4	0	0	112.2	A102 K103 T107 W397 Y398 T399	A102-E401 HydrophobicContact CB-CB 3.92Å; A102-E401 HydrophobicContact CB-CG 4.37Å; K103-E401 HydrophobicContact CB-CG 4.05Å; T107-E401 HydrophobicContact CG2-CB 4.17Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.38Å; T107-E401 PolarHBondContact OG1-OE2 2.93Å; W397-E401 WeakPolarHBondContact O-CG 3.48Å; Y398-E401 WeakPolarHBondContact O-CB 3.42Å; Y398-E401 PolarHBondContact O-N 3.45Å; T399-E401 PolarHBondContact O-N 2.95Å
402	G	95	Very high	96.6	Very high	62 Å²	62	59.8 Å²	59.8	64%	0.639	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.3	0.1	176.6	0	0	0	0	0	115.8	T399 G400	T399-G402 PolarHBondContact O-N 2.98Å; T399-G402 VanDerWaalsContact O-N 3.11Å; G400-G402 VanDerWaalsContact C-N 3.33Å
403	M	97.4	Very high	96.7	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.025	32%	0.317	C	S	.	.			trans	-70.6	140.4	176.6	-176.2	178.9	173.3	0	0	112.1	W101 A102 Y106 L187 Y398 T399 E407 F408	W101-M403 HydrophobicContact CE3-SD 4.13Å; W101-M403 HydrophobicContact CZ3-CE 4.36Å; W101-M403 HydrophobicContact CZ3-SD 4.05Å; A102-M403 HydrophobicContact CB-CB 4Å; A102-M403 HydrophobicContact CB-SD 4Å; Y106-M403 HydrophobicContact CD2-CB 3.89Å; Y106-M403 HydrophobicContact CD2-CG 4.41Å; Y106-M403 HydrophobicContact CE2-CB 3.69Å; Y106-M403 HydrophobicContact CE2-CG 3.75Å; Y106-M403 HydrophobicContact CE2-SD 4.45Å; L187-M403 HydrophobicContact CD1-CE 3.63Å; L187-M403 HydrophobicContact CD1-SD 4.04Å; L187-M403 HydrophobicContact CD2-CE 3.36Å; L187-M403 HydrophobicContact CG-CE 4.13Å; Y398-M403 HydrophobicContact CD1-SD 4.06Å; Y398-M403 WeakPolarHBondContact O-CB 3.22Å; T399-M403 WeakPolarHBondContact CA-O 3.36Å; M403-E407 HydrophobicContact CE-CB 3.57Å; M403-E407 HydrophobicContact CG-CB 4.48Å; M403-F408 HydrophobicContact CE-CD1 4.5Å; M403-F408 HydrophobicContact CE-CD2 3.62Å; M403-F408 HydrophobicContact CE-CE1 4.37Å; M403-F408 HydrophobicContact CE-CE2 3.47Å; M403-F408 VanDerWaalsContact CE-CE2 3.47Å; M403-F408 HydrophobicContact CE-CG 4.16Å; M403-F408 HydrophobicContact CE-CZ 3.87Å; M403-F408 HydrophobicContact CG-CE2 4.4Å; M403-F408 HydrophobicContact SD-CD2 4.39Å; M403-F408 HydrophobicContact SD-CE2 3.66Å; M403-F408 HydrophobicContact SD-CZ 3.92Å
404	D	96.5	Very high	96.8	Very high	85 Å²	85	56 Å²	56	46%	0.455	31%	0.31	S	S	.	.			trans	-79	143.8	174.7	-161.4	-42.9	0	0	0	111.1	M406 E407	D404-M406 PolarHBondContact O-N 2.8Å; D404-M406 PolarHBondContact OD1-N 3.08Å; D404-E407 HydrophobicContact CB-CG 4.26Å; D404-E407 PolarHBondContact N-OE1 2.97Å; D404-E407 PolarHBondContact O-N 3.24Å
405	E	94.7	Very high	96.9	Very high	74 Å²	74	52.7 Å²	52.7	35%	0.346	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-26	173.8	-169.9	174.4	167.9	0	0	111.5	F389 K392 E407 F408	F389-E405 HydrophobicContact CE2-CG 4.39Å; F389-E405 HydrophobicContact CZ-CG 4.22Å; K392-E405 IonicContact NZ-OE1 2.7Å; K392-E405 PolarHBondContact NZ-OE1 3.34Å; K392-E405 IonicContact NZ-OE2 3.48Å; K392-E405 PolarHBondContact NZ-OE2 3.27Å; E405-E407 VanDerWaalsContact C-N 3.32Å; E405-E407 PolarHBondContact O-N 3.44Å; E405-F408 WeakPolarHBondContact O-CB 3.45Å; E405-F408 PolarHBondContact O-N 3.1Å
406	M	96.2	Very high	97	Very high	125 Å²	125	55.5 Å²	55.5	62%	0.616	31%	0.31	S	S	*	.	H	α-helix	trans	-64.6	-33.8	177.1	-63.4	-167.2	-147.5	0	0	112.8	D404 F408 T409 E410	D404-M406 PolarHBondContact O-N 2.8Å; D404-M406 PolarHBondContact OD1-N 3.08Å; M406-F408 PolarHBondContact O-N 2.74Å; M406-T409 WeakPolarHBondContact O-CA 3.21Å; M406-T409 WeakPolarHBondContact O-CB 3.38Å; M406-T409 PolarHBondContact O-N 3.22Å; M406-E410 PolarHBondContact O-N 2.83Å
407	E	97.6	Very high	97.1	Very high	43 Å²	43	53.2 Å²	53.2	20%	0.201	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-33	179	-67.1	176.1	-121.2	0	0	112.4	Y106 M403 D404 E405 T409 E410 A411	Y106-E407 PolarHBondContact OH-OE1 3.17Å; Y106-E407 PolarHBondContact OH-OE2 3.03Å; M403-E407 HydrophobicContact CE-CB 3.57Å; M403-E407 HydrophobicContact CG-CB 4.48Å; D404-E407 HydrophobicContact CB-CG 4.26Å; D404-E407 PolarHBondContact N-OE1 2.97Å; D404-E407 PolarHBondContact O-N 3.24Å; E405-E407 VanDerWaalsContact C-N 3.32Å; E405-E407 PolarHBondContact O-N 3.44Å; E407-T409 VanDerWaalsContact C-N 3.31Å; E407-T409 PolarHBondContact O-N 3.43Å; E407-E410 PolarHBondContact O-N 3.04Å; E407-A411 VanDerWaalsContact O-CB 3.3Å; E407-A411 WeakPolarHBondContact O-CB 3.22Å; E407-A411 PolarHBondContact O-N 3.21Å
408	F	97.8	Very high	97.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-41.5	172.5	-77	-86.4	0	0	0	112	Y183 L187 F385 F389 L395 Y398 M403 E405 M406 E412	Y183-F408 HydrophobicContact CD1-CD1 4.07Å; Y183-F408 AromaticContact CD1-CE1 3.81Å; Y183-F408 HydrophobicContact CD1-CE1 3.81Å; Y183-F408 HydrophobicContact CD2-CE1 4.26Å; Y183-F408 HydrophobicContact CE1-CD1 4.41Å; Y183-F408 HydrophobicContact CE1-CE1 4.31Å; Y183-F408 AromaticContact CG-CE1 3.8Å; Y183-F408 HydrophobicContact CG-CE1 3.8Å; L187-F408 HydrophobicContact CD1-CE1 4.06Å; L187-F408 HydrophobicContact CD1-CZ 4.35Å; F385-F408 AromaticContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CZ-CB 4.03Å; F385-F408 AromaticContact CZ-CD1 3.93Å; F385-F408 HydrophobicContact CZ-CD1 3.93Å; F385-F408 WeakPolarHBondContact CZ-O 3.41Å; F389-F408 HydrophobicContact CD2-CB 4.09Å; F389-F408 HydrophobicContact CD2-CD1 4.3Å; F389-F408 HydrophobicContact CD2-CG 4.3Å; F389-F408 HydrophobicContact CE2-CB 3.44Å; F389-F408 VanDerWaalsContact CE2-CB 3.44Å; F389-F408 HydrophobicContact CE2-CD1 4.27Å; F389-F408 HydrophobicContact CE2-CD2 4.41Å; F389-F408 AromaticContact CE2-CG 3.81Å; F389-F408 HydrophobicContact CE2-CG 3.81Å; F389-F408 HydrophobicContact CZ-CB 3.94Å; L395-F408 HydrophobicContact CD2-CD1 4.36Å; L395-F408 HydrophobicContact CD2-CE1 4.1Å; L395-F408 HydrophobicContact CD2-CE2 4.3Å; L395-F408 HydrophobicContact CD2-CZ 4.06Å; Y398-F408 HydrophobicContact CD1-CE1 4.37Å; Y398-F408 AromaticContact CD1-CZ 3.72Å; Y398-F408 HydrophobicContact CD1-CZ 3.72Å; Y398-F408 HydrophobicContact CD2-CZ 4.1Å; Y398-F408 HydrophobicContact CE1-CZ 4.44Å; Y398-F408 HydrophobicContact CG-CE1 4.43Å; Y398-F408 HydrophobicContact CG-CE2 4.37Å; Y398-F408 AromaticContact CG-CZ 3.54Å; Y398-F408 HydrophobicContact CG-CZ 3.54Å; M403-F408 HydrophobicContact CE-CD1 4.5Å; M403-F408 HydrophobicContact CE-CD2 3.62Å; M403-F408 HydrophobicContact CE-CE1 4.37Å; M403-F408 HydrophobicContact CE-CE2 3.47Å; M403-F408 VanDerWaalsContact CE-CE2 3.47Å; M403-F408 HydrophobicContact CE-CG 4.16Å; M403-F408 HydrophobicContact CE-CZ 3.87Å; M403-F408 HydrophobicContact CG-CE2 4.4Å; M403-F408 HydrophobicContact SD-CD2 4.39Å; M403-F408 HydrophobicContact SD-CE2 3.66Å; M403-F408 HydrophobicContact SD-CZ 3.92Å; E405-F408 WeakPolarHBondContact O-CB 3.45Å; E405-F408 PolarHBondContact O-N 3.1Å; M406-F408 PolarHBondContact O-N 2.74Å; F408-E412 WeakPolarHBondContact O-CB 3.36Å; F408-E412 PolarHBondContact O-N 3.38Å
409	T	96.8	Very high	97.2	Very high	73 Å²	73	48.5 Å²	48.5	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-72.5	-39.4	-178	-52.1	0	0	0	0	110.5	M406 E407 E412 S413	M406-T409 WeakPolarHBondContact O-CA 3.21Å; M406-T409 WeakPolarHBondContact O-CB 3.38Å; M406-T409 PolarHBondContact O-N 3.22Å; E407-T409 VanDerWaalsContact C-N 3.31Å; E407-T409 PolarHBondContact O-N 3.43Å; T409-E412 PolarHBondContact O-N 2.84Å; T409-S413 WeakPolarHBondContact O-CB 3.44Å; T409-S413 PolarHBondContact O-N 3.03Å
410	E	97.9	Very high	97.2	Very high	113 Å²	113	49.1 Å²	49.1	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-43.6	174.3	-69.2	175.6	-178	0	0	111.6	M406 E407 S413 N414	M406-E410 PolarHBondContact O-N 2.83Å; E407-E410 PolarHBondContact O-N 3.04Å; E410-S413 PolarHBondContact O-N 3.26Å; E410-N414 WeakPolarHBondContact O-CB 3.37Å; E410-N414 PolarHBondContact O-N 2.96Å
411	A	97.9	Very high	97.2	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-42.3	176.5	0	0	0	0	0	112.7	T186 L187 H190 E407 M415	T186-A411 HydrophobicContact CG2-CB 4Å; L187-A411 HydrophobicContact CD2-CB 3.81Å; H190-A411 HydrophobicContact CB-CB 3.71Å; E407-A411 VanDerWaalsContact O-CB 3.3Å; E407-A411 WeakPolarHBondContact O-CB 3.22Å; E407-A411 PolarHBondContact O-N 3.21Å; A411-M415 WeakPolarHBondContact O-CB 3.46Å; A411-M415 PolarHBondContact O-N 2.92Å; A411-M415 VanDerWaalsContact O-N 3.1Å
412	E	97.6	Very high	97.3	Very high	31 Å²	31	45.4 Å²	45.4	15%	0.145	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-43.7	173.9	-173.6	178.4	-140	0	0	111.3	F385 T386 F408 T409 M415 N416	F385-E412 HydrophobicContact CD1-CB 4.2Å; F385-E412 HydrophobicContact CD1-CG 3.98Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.33Å; F385-E412 HydrophobicContact CE1-CB 3.63Å; F385-E412 VanDerWaalsContact CE1-CD 3.46Å; F385-E412 HydrophobicContact CE1-CG 3.81Å; F385-E412 HydrophobicContact CZ-CB 4.12Å; T386-E412 PolarHBondContact OG1-OE1 3.04Å; F408-E412 WeakPolarHBondContact O-CB 3.36Å; F408-E412 PolarHBondContact O-N 3.38Å; T409-E412 PolarHBondContact O-N 2.84Å; E412-M415 PolarHBondContact O-N 3.09Å; E412-N416 VanDerWaalsContact O-CG 3.25Å; E412-N416 PolarHBondContact O-N 2.91Å; E412-N416 PolarHBondContact O-ND2 3.37Å; E412-N416 VanDerWaalsContact O-ND2 3.12Å
413	S	97.9	Very high	97.4	Very high	57 Å²	57	45.2 Å²	45.2	40%	0.399	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-52.9	176.6	-165.2	0	0	0	0	111.2	T409 E410 M415 N416 D417	T409-S413 WeakPolarHBondContact O-CB 3.44Å; T409-S413 PolarHBondContact O-N 3.03Å; E410-S413 PolarHBondContact O-N 3.26Å; S413-M415 PolarHBondContact O-N 3.16Å; S413-N416 WeakPolarHBondContact O-CA 3.3Å; S413-N416 WeakPolarHBondContact O-CB 3.48Å; S413-N416 PolarHBondContact O-N 2.96Å; S413-D417 VanDerWaalsContact O-CG 3.25Å; S413-D417 PolarHBondContact O-N 2.76Å; S413-D417 PolarHBondContact OG-OD2 3.36Å
414	N	98.2	Very high	97.3	Very high	15 Å²	15	50 Å²	50	8%	0.08	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-37.8	-178.4	-164.1	16	0	0	0	111.7	H190 E194 R262 E410 D417 L418	H190-N414 WeakPolarHBondContact ND1-CB 3.17Å; H190-N414 PolarHBondContact ND1-ND2 3.25Å; E194-N414 PolarHBondContact OE1-ND2 2.92Å; R262-N414 PolarHBondContact NH1-OD1 3.05Å; R262-N414 PolarHBondContact NH2-OD1 3.17Å; E410-N414 WeakPolarHBondContact O-CB 3.37Å; E410-N414 PolarHBondContact O-N 2.96Å; N414-D417 PolarHBondContact O-N 2.92Å; N414-L418 WeakPolarHBondContact O-CB 3.3Å; N414-L418 PolarHBondContact O-N 2.78Å
415	M	97.6	Very high	97.2	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-68	-37.5	175.6	-176.4	171.9	53.7	0	0	112.6	T186 I189 F378 I381 S382 A411 E412 S413 V419	T186-M415 HydrophobicContact CG2-CE 3.68Å; I189-M415 HydrophobicContact CD1-SD 4.26Å; F378-M415 HydrophobicContact CB-CG 4.11Å; F378-M415 HydrophobicContact CB-SD 4.34Å; I381-M415 HydrophobicContact CB-SD 4.44Å; I381-M415 HydrophobicContact CG2-CE 4.49Å; I381-M415 HydrophobicContact CG2-SD 4.25Å; S382-M415 VanDerWaalsContact CA-CE 3.49Å; S382-M415 VanDerWaalsContact CB-CE 3.48Å; A411-M415 WeakPolarHBondContact O-CB 3.46Å; A411-M415 PolarHBondContact O-N 2.92Å; A411-M415 VanDerWaalsContact O-N 3.1Å; E412-M415 PolarHBondContact O-N 3.09Å; S413-M415 PolarHBondContact O-N 3.16Å; M415-V419 VanDerWaalsContact O-CG2 3.31Å; M415-V419 WeakPolarHBondContact O-CG2 3.38Å; M415-V419 PolarHBondContact O-N 2.81Å
416	N	97.6	Very high	97.2	Very high	67 Å²	67	44.8 Å²	44.8	36%	0.358	24%	0.235	S	C	.	.	H	α-helix	trans	-70	-36.5	175.6	-69.1	-32.8	0	0	0	112.1	S382 E412 S413 V419 S420	S382-N416 PolarHBondContact OG-OD1 2.74Å; E412-N416 VanDerWaalsContact O-CG 3.25Å; E412-N416 PolarHBondContact O-N 2.91Å; E412-N416 PolarHBondContact O-ND2 3.37Å; E412-N416 VanDerWaalsContact O-ND2 3.12Å; S413-N416 WeakPolarHBondContact O-CA 3.3Å; S413-N416 WeakPolarHBondContact O-CB 3.48Å; S413-N416 PolarHBondContact O-N 2.96Å; N416-V419 PolarHBondContact O-N 2.92Å; N416-S420 PolarHBondContact O-N 3.4Å; N416-S420 PolarHBondContact O-OG 3.45Å
417	D	98	Very high	97	Very high	78 Å²	78	43.5 Å²	43.5	42%	0.417	23%	0.231	S	C	.	.	H	α-helix	trans	-64.7	-47.4	174.6	-63	-29.2	0	0	0	109.9	S413 N414 V419 S420 E421	S413-D417 VanDerWaalsContact O-CG 3.25Å; S413-D417 PolarHBondContact O-N 2.76Å; S413-D417 PolarHBondContact OG-OD2 3.36Å; N414-D417 PolarHBondContact O-N 2.92Å; D417-V419 VanDerWaalsContact C-N 3.31Å; D417-V419 PolarHBondContact O-N 3.33Å; D417-S420 CarbonylContact O-C 3.57Å; D417-S420 WeakPolarHBondContact O-CA 3.47Å; D417-S420 WeakPolarHBondContact O-CB 3.38Å; D417-S420 PolarHBondContact O-N 3.36Å; D417-E421 PolarHBondContact O-N 3.12Å
418	L	98	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-54.7	-44.6	173.1	-179.4	69.4	0	0	0	112.4	I189 V193 R262 F265 F378 N414 S420 E421 Y422	I189-L418 HydrophobicContact CG2-CD2 4.5Å; V193-L418 HydrophobicContact CG2-CD1 4.47Å; V193-L418 HydrophobicContact CG2-CD2 3.74Å; R262-L418 HydrophobicContact CB-CD1 4.22Å; R262-L418 WeakPolarHBondContact O-CD1 3.44Å; F265-L418 HydrophobicContact CD2-CD2 4.46Å; F265-L418 HydrophobicContact CE2-CD1 4.48Å; F265-L418 HydrophobicContact CE2-CD2 3.91Å; F265-L418 HydrophobicContact CZ-CD2 4.4Å; F378-L418 HydrophobicContact CD2-CD2 3.88Å; F378-L418 HydrophobicContact CD2-CG 4.45Å; F378-L418 HydrophobicContact CE1-CD2 4.47Å; F378-L418 HydrophobicContact CE2-CD2 3.6Å; F378-L418 HydrophobicContact CE2-CG 4.31Å; F378-L418 HydrophobicContact CG-CD2 4.45Å; F378-L418 HydrophobicContact CZ-CD2 3.93Å; N414-L418 WeakPolarHBondContact O-CB 3.3Å; N414-L418 PolarHBondContact O-N 2.78Å; L418-S420 VanDerWaalsContact C-N 3.28Å; L418-S420 PolarHBondContact O-N 2.85Å; L418-E421 PolarHBondContact O-N 2.87Å; L418-Y422 HydrophobicContact CD1-CD2 4.17Å; L418-Y422 HydrophobicContact CD1-CE2 3.74Å; L418-Y422 HydrophobicContact CD2-CE2 4.35Å; L418-Y422 HydrophobicContact CG-CD2 4.04Å; L418-Y422 HydrophobicContact CG-CE2 3.86Å; L418-Y422 VanDerWaalsContact O-CD2 3.24Å; L418-Y422 WeakPolarHBondContact O-CD2 3.48Å; L418-Y422 PolarHBondContact O-N 3.43Å
419	V	97.9	Very high	95.6	Very high	14 Å²	14	44.6 Å²	44.6	9%	0.085	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-39	175.8	165	0	0	0	0	111.4	Q375 F378 K379 M415 N416 D417 Q423	Q375-V419 HydrophobicContact CB-CG1 4.46Å; Q375-V419 HydrophobicContact CB-CG2 4.47Å; F378-V419 HydrophobicContact CB-CG2 3.62Å; F378-V419 HydrophobicContact CD2-CG2 4.36Å; F378-V419 HydrophobicContact CG-CG2 4.48Å; K379-V419 HydrophobicContact CD-CG1 4.27Å; K379-V419 HydrophobicContact CG-CG1 3.99Å; K379-V419 HydrophobicContact CG-CG2 4.27Å; M415-V419 VanDerWaalsContact O-CG2 3.31Å; M415-V419 WeakPolarHBondContact O-CG2 3.38Å; M415-V419 PolarHBondContact O-N 2.81Å; N416-V419 PolarHBondContact O-N 2.92Å; D417-V419 VanDerWaalsContact C-N 3.31Å; D417-V419 PolarHBondContact O-N 3.33Å; V419-Q423 WeakPolarHBondContact O-CB 3.35Å; V419-Q423 PolarHBondContact O-N 3.17Å
420	S	97.7	Very high	94.5	Very high	70 Å²	70	43.9 Å²	43.9	49%	0.49	24%	0.244	S	C	.	.	H	α-helix	trans	-68.5	-40.4	179	-56.9	0	0	0	0	111.6	N416 D417 L418 Q423 Q424	N416-S420 PolarHBondContact O-N 3.4Å; N416-S420 PolarHBondContact O-OG 3.45Å; D417-S420 CarbonylContact O-C 3.57Å; D417-S420 WeakPolarHBondContact O-CA 3.47Å; D417-S420 WeakPolarHBondContact O-CB 3.38Å; D417-S420 PolarHBondContact O-N 3.36Å; L418-S420 VanDerWaalsContact C-N 3.28Å; L418-S420 PolarHBondContact O-N 2.85Å; S420-Q423 WeakPolarHBondContact O-CB 3.41Å; S420-Q423 PolarHBondContact O-N 3.46Å; S420-Q424 PolarHBondContact O-N 3.16Å
421	E	97.2	Very high	93.1	Very high	41 Å²	41	47.1 Å²	47.1	19%	0.192	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-50.6	173	-70.4	166	-126.7	0	0	111	R262 L263 D417 L418 Q423 Q424 Y425	R262-E421 WeakPolarHBondContact CB-OE2 3.42Å; R262-E421 WeakPolarHBondContact CD-OE2 3.35Å; R262-E421 IonicContact CZ-OE1 2.87Å; R262-E421 IonicContact NE-OE1 2.98Å; R262-E421 PolarHBondContact NE-OE1 3.47Å; R262-E421 IonicContact NE-OE2 3.21Å; R262-E421 PolarHBondContact NE-OE2 3.09Å; R262-E421 IonicContact NH2-OE1 2.74Å; R262-E421 PolarHBondContact NH2-OE1 3.25Å; L263-E421 HydrophobicContact CD1-CB 4.3Å; D417-E421 PolarHBondContact O-N 3.12Å; L418-E421 PolarHBondContact O-N 2.87Å; E421-Q423 PolarHBondContact O-N 3.12Å; E421-Q424 WeakPolarHBondContact O-CB 3.49Å; E421-Q424 PolarHBondContact O-N 3.1Å; E421-Q424 VanDerWaalsContact O-N 3.09Å; E421-Y425 HydrophobicContact CB-CE2 4.5Å; E421-Y425 WeakPolarHBondContact O-CD2 3.46Å; E421-Y425 PolarHBondContact O-N 3.36Å
422	Y	97.8	Very high	91.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.3	-37.5	175.3	-85.1	-66.6	0	0	0	112.8	L263 T372 I374 F378 L418 Q426	L263-Y422 WeakPolarHBondContact CA-OH 3.38Å; L263-Y422 HydrophobicContact CB-CE1 3.82Å; L263-Y422 HydrophobicContact CD2-CD1 3.7Å; L263-Y422 HydrophobicContact CD2-CE1 3.78Å; L263-Y422 HydrophobicContact CD2-CG 4.39Å; L263-Y422 HydrophobicContact CG-CD1 3.85Å; L263-Y422 HydrophobicContact CG-CE1 3.54Å; L263-Y422 HydrophobicContact CG-CE2 4.22Å; L263-Y422 HydrophobicContact CG-CG 4.36Å; T372-Y422 HydrophobicContact CG2-CD1 4.24Å; T372-Y422 WeakPolarHBondContact CG2-O 3.16Å; I374-Y422 HydrophobicContact CG2-CD1 4.15Å; I374-Y422 HydrophobicContact CG2-CD2 4.25Å; I374-Y422 HydrophobicContact CG2-CE1 3.6Å; I374-Y422 HydrophobicContact CG2-CE2 3.78Å; I374-Y422 HydrophobicContact CG2-CG 4.42Å; I374-Y422 VanDerWaalsContact CG2-CZ 3.41Å; F378-Y422 HydrophobicContact CD2-CE2 4.41Å; F378-Y422 HydrophobicContact CE2-CD2 4.23Å; F378-Y422 AromaticContact CE2-CE2 3.71Å; F378-Y422 HydrophobicContact CE2-CE2 3.71Å; L418-Y422 HydrophobicContact CD1-CD2 4.17Å; L418-Y422 HydrophobicContact CD1-CE2 3.74Å; L418-Y422 HydrophobicContact CD2-CE2 4.35Å; L418-Y422 HydrophobicContact CG-CD2 4.04Å; L418-Y422 HydrophobicContact CG-CE2 3.86Å; L418-Y422 VanDerWaalsContact O-CD2 3.24Å; L418-Y422 WeakPolarHBondContact O-CD2 3.48Å; L418-Y422 PolarHBondContact O-N 3.43Å; Y422-Q426 VanDerWaalsContact O-CB 3.3Å; Y422-Q426 WeakPolarHBondContact O-CB 3.44Å; Y422-Q426 PolarHBondContact O-N 3.32Å
423	Q	96.8	Very high	89.2	Confident	57 Å²	57	51.1 Å²	51.1	27%	0.266	28%	0.278	S	S	.	.	H	α-helix	trans	-67.7	-41.6	176.8	-172.9	61.2	56.1	0	0	111.6	V419 S420 E421 Q426 D427	V419-Q423 WeakPolarHBondContact O-CB 3.35Å; V419-Q423 PolarHBondContact O-N 3.17Å; S420-Q423 WeakPolarHBondContact O-CB 3.41Å; S420-Q423 PolarHBondContact O-N 3.46Å; E421-Q423 PolarHBondContact O-N 3.12Å; Q423-Q426 WeakPolarHBondContact O-CB 3.34Å; Q423-Q426 PolarHBondContact O-N 2.84Å; Q423-D427 VanDerWaalsContact NE2-CG 3.3Å; Q423-D427 PolarHBondContact NE2-OD1 2.89Å; Q423-D427 PolarHBondContact NE2-OD2 3.26Å; Q423-D427 PolarHBondContact O-N 3Å; Q423-D427 VanDerWaalsContact O-N 3.14Å
424	Q	96	Very high	87.1	Confident	106 Å²	106	51 Å²	51	50%	0.495	29%	0.285	S	S	.	.	H	α-helix	trans	-58.9	-52.4	176.1	-179.5	177.6	-5.5	0	0	111.2	S420 E421 Q426 D427 A428 M436	S420-Q424 PolarHBondContact O-N 3.16Å; E421-Q424 WeakPolarHBondContact O-CB 3.49Å; E421-Q424 PolarHBondContact O-N 3.1Å; E421-Q424 VanDerWaalsContact O-N 3.09Å; Q424-Q426 PolarHBondContact O-N 2.89Å; Q424-D427 PolarHBondContact O-N 3.46Å; Q424-D427 VanDerWaalsContact O-N 3.17Å; Q424-A428 WeakPolarHBondContact O-CB 3.3Å; Q424-A428 PolarHBondContact O-N 3.1Å; Q424-M436 HydrophobicContact CG-CE 4.03Å
425	Y	94.4	Very high	85	Confident	12 Å²	12	57.2 Å²	57.2	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-69.6	-21.2	178.9	-65.7	-71.6	0	0	0	113.6	F260 L263 W344 E421 M436 D440	F260-Y425 AromaticContact CD1-CE1 3.85Å; F260-Y425 HydrophobicContact CD1-CE1 3.85Å; F260-Y425 HydrophobicContact CD1-CE2 4.41Å; F260-Y425 AromaticContact CD1-CZ 3.58Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.42Å; F260-Y425 AromaticContact CD2-CD1 3.97Å; F260-Y425 HydrophobicContact CD2-CD1 3.97Å; F260-Y425 HydrophobicContact CD2-CD2 4.27Å; F260-Y425 AromaticContact CD2-CE1 3.7Å; F260-Y425 HydrophobicContact CD2-CE1 3.7Å; F260-Y425 HydrophobicContact CD2-CE2 4.04Å; F260-Y425 HydrophobicContact CD2-CG 4.24Å; F260-Y425 AromaticContact CD2-CZ 3.74Å; F260-Y425 HydrophobicContact CE1-CD1 4.39Å; F260-Y425 AromaticContact CE1-CE1 3.41Å; F260-Y425 HydrophobicContact CE1-CE1 3.41Å; F260-Y425 VanDerWaalsContact CE1-CE1 3.41Å; F260-Y425 AromaticContact CE1-CZ 3.64Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.46Å; F260-Y425 AromaticContact CE2-CD1 3.42Å; F260-Y425 HydrophobicContact CE2-CD1 3.42Å; F260-Y425 VanDerWaalsContact CE2-CD1 3.42Å; F260-Y425 AromaticContact CE2-CE1 3.26Å; F260-Y425 HydrophobicContact CE2-CE1 3.26Å; F260-Y425 HydrophobicContact CE2-CE2 4.41Å; F260-Y425 HydrophobicContact CE2-CG 4.08Å; F260-Y425 AromaticContact CE2-CZ 3.81Å; F260-Y425 AromaticContact CG-CE1 3.99Å; F260-Y425 HydrophobicContact CG-CE1 3.99Å; F260-Y425 HydrophobicContact CG-CE2 4.06Å; F260-Y425 AromaticContact CG-CZ 3.64Å; F260-Y425 AromaticContact CZ-CD1 3.68Å; F260-Y425 HydrophobicContact CZ-CD1 3.68Å; F260-Y425 AromaticContact CZ-CE1 3.11Å; F260-Y425 HydrophobicContact CZ-CE1 3.11Å; F260-Y425 AromaticContact CZ-CZ 3.78Å; L263-Y425 HydrophobicContact CD1-CD2 4.38Å; L263-Y425 HydrophobicContact CD1-CE2 4.19Å; L263-Y425 HydrophobicContact CD2-CD2 3.48Å; L263-Y425 VanDerWaalsContact CD2-CD2 3.48Å; L263-Y425 HydrophobicContact CD2-CE2 4.02Å; L263-Y425 HydrophobicContact CD2-CG 4.18Å; W344-Y425 HydrophobicContact CH2-CD1 4.27Å; W344-Y425 HydrophobicContact CZ2-CD1 4.47Å; W344-Y425 WeakPolarHBondContact CZ2-O 3.42Å; E421-Y425 HydrophobicContact CB-CE2 4.5Å; E421-Y425 WeakPolarHBondContact O-CD2 3.46Å; E421-Y425 PolarHBondContact O-N 3.36Å; Y425-M436 HydrophobicContact CD1-CE 3.81Å; Y425-M436 HydrophobicContact CE1-CE 3.25Å; Y425-D440 PolarHBondContact OH-OD2 3.16Å
426	Q	94.1	Very high	82.8	Confident	37 Å²	37	58.5 Å²	58.5	17%	0.173	32%	0.32	C	S	.	.	H	α-helix	trans	-68.9	-39.4	172	-175.9	178	-70.7	0	0	112.1	H307 G308 R309 T372 Q375 Y422 Q423 Q424	H307-Q426 PolarHBondContact O-OE1 2.88Å; G308-Q426 VanDerWaalsContact CA-OE1 3.25Å; R309-Q426 HydrophobicContact CG-CG 4.22Å; T372-Q426 HydrophobicContact CG2-CB 3.89Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.44Å; T372-Q426 PolarHBondContact OG1-OE1 3.46Å; Q375-Q426 VanDerWaalsContact NE2-OE1 3.07Å; Y422-Q426 VanDerWaalsContact O-CB 3.3Å; Y422-Q426 WeakPolarHBondContact O-CB 3.44Å; Y422-Q426 PolarHBondContact O-N 3.32Å; Q423-Q426 WeakPolarHBondContact O-CB 3.34Å; Q423-Q426 PolarHBondContact O-N 2.84Å; Q424-Q426 PolarHBondContact O-N 2.89Å
427	D	92	Very high	80.7	Confident	98 Å²	98	59.6 Å²	59.6	52%	0.524	32%	0.319	S	S	.	.	H	α-helix	trans	-89.9	-16.1	-176.3	-62.9	-25.6	0	0	0	112.2	Q423 Q424	Q423-D427 VanDerWaalsContact NE2-CG 3.3Å; Q423-D427 PolarHBondContact NE2-OD1 2.89Å; Q423-D427 PolarHBondContact NE2-OD2 3.26Å; Q423-D427 PolarHBondContact O-N 3Å; Q423-D427 VanDerWaalsContact O-N 3.14Å; Q424-D427 PolarHBondContact O-N 3.46Å; Q424-D427 VanDerWaalsContact O-N 3.17Å
428	A	87.6	Confident	78.5	Confident	12 Å²	12	62.2 Å²	62.2	10%	0.099	33%	0.329	C	S	.	.			trans	-56.2	135.1	177.9	0	0	0	0	0	112.9	W344 Q424	W344-A428 PolarHBondContact NE1-O 2.99Å; Q424-A428 WeakPolarHBondContact O-CB 3.3Å; Q424-A428 PolarHBondContact O-N 3.1Å
429	T	79.5	Confident	76.2	Confident	55 Å²	55	67.3 Å²	67.3	34%	0.337	36%	0.356	S	S	.	.			trans	-107.1	162.5	175.6	62.1	0	0	0	0	111.6	E431 E432 E433	T429-E431 PolarHBondContact O-N 3.37Å; T429-E432 PolarHBondContact N-OE2 2.95Å; T429-E432 PolarHBondContact O-N 3.24Å; T429-E432 VanDerWaalsContact O-N 3.08Å; T429-E432 PolarHBondContact OG1-OE2 2.81Å; T429-E433 PolarHBondContact O-N 3.47Å
430	A	72.6	Confident	74.1	Confident	58 Å²	58	69.4 Å²	69.4	48%	0.479	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-16.9	179.5	0	0	0	0	0	114.6	E343 W344	E343-A430 HydrophobicContact CG-CB 4.38Å; W344-A430 HydrophobicContact CB-CB 4.29Å
431	E	68.4	Low	71.7	Confident	181 Å²	181	72.2 Å²	72.2	85%	0.846	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-25.4	177.1	-65	-177.4	177.8	0	0	112.6	T429	T429-E431 PolarHBondContact O-N 3.37Å
432	E	60.9	Low	69.1	Low	102 Å²	102	76.8 Å²	76.8	48%	0.477	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-24.4	-174.6	-69.9	163.2	155.9	0	0	112.9	T429 G434 E435	T429-E432 PolarHBondContact N-OE2 2.95Å; T429-E432 PolarHBondContact O-N 3.24Å; T429-E432 VanDerWaalsContact O-N 3.08Å; T429-E432 PolarHBondContact OG1-OE2 2.81Å; E432-G434 VanDerWaalsContact C-N 3.34Å; E432-G434 PolarHBondContact O-N 2.94Å; E432-E435 PolarHBondContact O-N 3.5Å
433	E	52.3	Low	66.7	Low	13 Å²	13	83.3 Å²	83.3	6%	0.061	42%	0.424	C	S	.	.	H	α-helix	trans	-65.9	-29.7	-178.1	-99.8	-149.1	137.7	0	0	114.6	W344 T429 E435 M436 Y437	W344-E433 HydrophobicContact CB-CG 4.37Å; W344-E433 VanDerWaalsContact CB-OE2 3.31Å; W344-E433 WeakPolarHBondContact CB-OE2 3.25Å; W344-E433 VanDerWaalsContact CD2-CD 3.46Å; W344-E433 HydrophobicContact CD2-CG 4.07Å; W344-E433 HydrophobicContact CE3-CG 4.1Å; W344-E433 HydrophobicContact CG-CG 4.18Å; W344-E433 WeakPolarHBondContact CZ3-OE1 3.42Å; T429-E433 PolarHBondContact O-N 3.47Å; E433-E435 PolarHBondContact O-N 2.92Å; E433-E435 VanDerWaalsContact O-N 3.13Å; E433-M436 PolarHBondContact O-N 3.42Å; E433-Y437 HydrophobicContact CB-CD2 4.28Å; E433-Y437 HydrophobicContact CB-CE2 4.12Å; E433-Y437 HydrophobicContact CG-CE2 4.09Å; E433-Y437 WeakPolarHBondContact O-CD2 3.46Å; E433-Y437 PolarHBondContact O-N 3.03Å; E433-Y437 VanDerWaalsContact O-N 3.11Å; E433-Y437 WeakPolarHBondContact OE1-CE2 3.39Å; E433-Y437 PolarHBondContact OE1-OH 3.34Å; E433-Y437 VanDerWaalsContact OE2-CE2 3.29Å; E433-Y437 WeakPolarHBondContact OE2-CE2 3.46Å
434	G	55.1	Low	64.2	Low	53 Å²	53	84.5 Å²	84.5	55%	0.546	44%	0.439	S	S	.	.	H	α-helix	trans	-58.6	-26.8	179.3	0	0	0	0	0	112.9	E432	E432-G434 VanDerWaalsContact C-N 3.34Å; E432-G434 PolarHBondContact O-N 2.94Å
435	E	52.7	Low	61.6	Low	147 Å²	147	87 Å²	87	69%	0.687	45%	0.451	S	S	*	.	H	α-helix	trans	-88.9	-32.7	175.5	-61.2	-175.6	172.8	0	0	111.7	E432 E433 E438	E432-E435 PolarHBondContact O-N 3.5Å; E433-E435 PolarHBondContact O-N 2.92Å; E433-E435 VanDerWaalsContact O-N 3.13Å; E435-E438 PolarHBondContact O-N 3.33Å
436	M	53.4	Low	59.3	Low	27 Å²	27	90.5 Å²	90.5	13%	0.133	48%	0.482	C	S	.	.	H	α-helix	trans	-74.1	-34	-177.1	-68.2	-174.6	56	0	0	114.5	Q424 Y425 E433 E438 D439 D440	Q424-M436 HydrophobicContact CG-CE 4.03Å; Y425-M436 HydrophobicContact CD1-CE 3.81Å; Y425-M436 HydrophobicContact CE1-CE 3.25Å; E433-M436 PolarHBondContact O-N 3.42Å; M436-E438 VanDerWaalsContact C-N 3.27Å; M436-E438 PolarHBondContact O-N 3.1Å; M436-D439 PolarHBondContact O-N 3.35Å; M436-D440 PolarHBondContact O-N 2.92Å
437	Y	52.9	Low	56.4	Low	90 Å²	90	97 Å²	97	35%	0.353	51%	0.513	S	S	.	.	H	α-helix	trans	-66.6	-30.1	174.7	-79.4	-68.8	0	0	0	112.5	F260 E433 D439 E441	F260-Y437 HydrophobicContact CE1-CE1 4.16Å; F260-Y437 HydrophobicContact CZ-CE1 4.25Å; E433-Y437 HydrophobicContact CB-CD2 4.28Å; E433-Y437 HydrophobicContact CB-CE2 4.12Å; E433-Y437 HydrophobicContact CG-CE2 4.09Å; E433-Y437 WeakPolarHBondContact O-CD2 3.46Å; E433-Y437 PolarHBondContact O-N 3.03Å; E433-Y437 VanDerWaalsContact O-N 3.11Å; E433-Y437 WeakPolarHBondContact OE1-CE2 3.39Å; E433-Y437 PolarHBondContact OE1-OH 3.34Å; E433-Y437 VanDerWaalsContact OE2-CE2 3.29Å; E433-Y437 WeakPolarHBondContact OE2-CE2 3.46Å; Y437-D439 VanDerWaalsContact C-N 3.34Å; Y437-E441 WeakPolarHBondContact O-CB 3.47Å; Y437-E441 WeakPolarHBondContact O-CG 3.5Å; Y437-E441 PolarHBondContact O-N 2.56Å; Y437-E441 VanDerWaalsContact O-N 3.12Å
438	E	50.9	Low	53.6	Low	133 Å²	133	94.4 Å²	94.4	62%	0.621	51%	0.509	S	S	*	.	H	α-helix	trans	-66.7	-38.3	176	-66.6	-173.4	168.4	0	0	110.5	E435 M436 E442	E435-E438 PolarHBondContact O-N 3.33Å; M436-E438 VanDerWaalsContact C-N 3.27Å; M436-E438 PolarHBondContact O-N 3.1Å; E438-E442 WeakPolarHBondContact O-CB 3.45Å; E438-E442 VanDerWaalsContact O-CG 3.3Å; E438-E442 WeakPolarHBondContact O-CG 3.47Å; E438-E442 PolarHBondContact O-N 3.11Å; E438-E442 VanDerWaalsContact O-N 3.17Å
439	D	51.2	Low	51.5	Low	107 Å²	107	100.4 Å²	100.4	57%	0.572	55%	0.547	S	S	*	.	H	α-helix	trans	-68.9	-44.4	178.5	-71.4	-24.1	0	0	0	113	M436 Y437 E442 E443	M436-D439 PolarHBondContact O-N 3.35Å; Y437-D439 VanDerWaalsContact C-N 3.34Å; D439-E442 PolarHBondContact O-N 3Å; D439-E443 PolarHBondContact O-N 3.3Å; D439-E443 VanDerWaalsContact O-N 3.09Å
440	D	53.5	Low	49.4	Very low	58 Å²	58	111 Å²	111	31%	0.31	59%	0.588	S	S	.	*	H	α-helix	trans	-72.7	-35.5	-179.1	-77	-27.5	0	0	0	112.7	F260 Y425 M436 S444	F260-D440 WeakPolarHBondContact CD1-OD2 3.48Å; F260-D440 WeakPolarHBondContact CE1-OD2 3.36Å; Y425-D440 PolarHBondContact OH-OD2 3.16Å; M436-D440 PolarHBondContact O-N 2.92Å; D440-S444 WeakPolarHBondContact O-CB 3.36Å; D440-S444 PolarHBondContact O-N 3.43Å; D440-S444 VanDerWaalsContact O-N 3.1Å
441	E	46.8	Very low	48.2	Very low	130 Å²	130	113.7 Å²	113.7	61%	0.607	59%	0.594	S	S	*	*	H	α-helix	trans	-65	-41.3	172.8	-76.8	-170.9	177.5	0	0	110.7	Y437 S444 E445	Y437-E441 WeakPolarHBondContact O-CB 3.47Å; Y437-E441 WeakPolarHBondContact O-CG 3.5Å; Y437-E441 PolarHBondContact O-N 2.56Å; Y437-E441 VanDerWaalsContact O-N 3.12Å; E441-S444 PolarHBondContact O-N 3.32Å; E441-S444 PolarHBondContact O-OG 3.05Å; E441-E445 PolarHBondContact O-N 3.5Å
442	E	43.2	Very low	47.1	Very low	136 Å²	136	110.1 Å²	110.1	64%	0.636	58%	0.58	S	S	*	*	H	α-helix	trans	-63.1	-39.9	176.2	-78.4	-170.1	-175.7	0	0	112.9	E438 D439 E445 A446	E438-E442 WeakPolarHBondContact O-CB 3.45Å; E438-E442 VanDerWaalsContact O-CG 3.3Å; E438-E442 WeakPolarHBondContact O-CG 3.47Å; E438-E442 PolarHBondContact O-N 3.11Å; E438-E442 VanDerWaalsContact O-N 3.17Å; D439-E442 PolarHBondContact O-N 3Å; E442-E445 PolarHBondContact O-N 3.48Å; E442-A446 WeakPolarHBondContact O-CB 3.38Å; E442-A446 PolarHBondContact O-N 2.7Å
443	E	46.7	Very low	46.4	Very low	137 Å²	137	110.6 Å²	110.6	64%	0.64	59%	0.586	S	S	*	*	H	α-helix	trans	-66.3	-37.4	174.6	-76	-162	166.8	0	0	112.5	D439 A446 Q447	D439-E443 PolarHBondContact O-N 3.3Å; D439-E443 VanDerWaalsContact O-N 3.09Å; E443-A446 PolarHBondContact O-N 3.45Å; E443-Q447 PolarHBondContact O-N 3.49Å
444	S	45	Very low	46	Very low	83 Å²	83	116.3 Å²	116.3	58%	0.58	62%	0.617	S	S	*	*	H	α-helix	trans	-69.8	-35.2	178	79.8	0	0	0	0	113.1	D440 E441	D440-S444 WeakPolarHBondContact O-CB 3.36Å; D440-S444 PolarHBondContact O-N 3.43Å; D440-S444 VanDerWaalsContact O-N 3.1Å; E441-S444 PolarHBondContact O-N 3.32Å; E441-S444 PolarHBondContact O-OG 3.05Å
445	E	41	Very low	45.5	Very low	159 Å²	159	120.3 Å²	120.3	74%	0.743	62%	0.621	S	S	*	*	H	α-helix	trans	-74.4	-30.9	174.8	-71.7	-162.9	161.3	0	0	112.3	E441 E442 Q447 G448	E441-E445 PolarHBondContact O-N 3.5Å; E442-E445 PolarHBondContact O-N 3.48Å; E445-Q447 PolarHBondContact O-N 2.91Å; E445-G448 PolarHBondContact O-N 3.21Å
446	A	44.9	Very low	45	Very low	85 Å²	85	118.5 Å²	118.5	70%	0.702	62%	0.617	S	S	*	*	H	α-helix	trans	-66.6	-23.4	177.7	0	0	0	0	0	113.5	E442 E443 G448	E442-A446 WeakPolarHBondContact O-CB 3.38Å; E442-A446 PolarHBondContact O-N 2.7Å; E443-A446 PolarHBondContact O-N 3.45Å; A446-G448 VanDerWaalsContact C-N 3.32Å
447	Q	34.8	Very low	44.4	Very low	173 Å²	173	125 Å²	125	81%	0.808	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	24.9	174.3	-61.7	-166.9	18.8	0	0	113.9	E443 E445	E443-Q447 PolarHBondContact O-N 3.49Å; E445-Q447 PolarHBondContact O-N 2.91Å
448	G	32.7	Very low	43.7	Very low	43 Å²	43	127.7 Å²	127.7	44%	0.443	68%	0.675	S	S	.	*			trans	-57.1	149.1	169.3	0	0	0	0	0	113.1	E445 A446 K450	E445-G448 PolarHBondContact O-N 3.21Å; A446-G448 VanDerWaalsContact C-N 3.32Å; G448-K450 PolarHBondContact O-N 3.26Å
449	P	42.7	Very low	43.1	Very low	138 Å²	138	127.3 Å²	127.3	90%	0.896	68%	0.679	S	S	*	*			trans	-66.7	124.1	-165	27.9	-33.5	0	0	0	110.9
450	K	35.1	Very low	42.4	Very low	278 Å²	278	129.1 Å²	129.1	100%	1.209	69%	0.689	S	S	*	*			trans	-85.7	0	161.1	-88.1	-175.3	178.1	168.7	0	111.4	G448	G448-K450 PolarHBondContact O-N 3.26Å

Retrieved 450 of 450 residues in 95.3 ms (Link to these results)

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