A0A077Z451_TRITR Loading...

UDP-glucose 6-dehydrogenase

AlphaFold DB , UniProt , Accession A0A077Z451, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 451 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	41.9	Very low	77.6	Confident	170 Å²	170	63.8 Å²	63.8	100%	1.189	39%	0.392	S	S	*	.				0	24.9	0	53.7	0	0	0	0	112.7	A3	S1-A3 PolarHBondContact O-N 3.07Å
2	T	48.1	Very low	79	Confident	132 Å²	132	59 Å²	59	81%	0.81	36%	0.364	S	S	*	.			trans	-73.6	79.7	165.7	50.6	0	0	0	0	107.4	N4	T2-N4 PolarHBondContact O-N 3.45Å
3	A	52.5	Low	80.3	Confident	75 Å²	75	54.5 Å²	54.5	62%	0.62	34%	0.337	S	S	*	.			trans	-46.3	136.5	154.4	0	0	0	0	0	106.4	S1 L5	S1-A3 PolarHBondContact O-N 3.07Å; A3-L5 WeakPolarHBondContact O-CD1 3.26Å; A3-L5 PolarHBondContact O-N 3.26Å
4	N	61.8	Low	81.2	Confident	154 Å²	154	52.2 Å²	52.2	82%	0.824	33%	0.329	S	S	*	.			trans	-57.1	89.5	176.8	-116.8	10	0	0	0	107.5	T2 F6	T2-N4 PolarHBondContact O-N 3.45Å; N4-F6 PolarHBondContact O-N 3.1Å
5	L	74	Confident	81.8	Confident	88 Å²	88	52.2 Å²	52.2	46%	0.461	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-64.4	134.6	173.3	-74.3	106.1	0	0	0	105.6	A3 G7 E30 R32	A3-L5 WeakPolarHBondContact O-CD1 3.26Å; A3-L5 PolarHBondContact O-N 3.26Å; L5-G7 PolarHBondContact O-N 2.88Å; L5-G7 VanDerWaalsContact O-N 3.12Å; L5-E30 WeakPolarHBondContact CD2-O 3.46Å; L5-R32 HydrophobicContact CB-CB 4.41Å
6	F	91.5	Very high	82.4	Confident	66 Å²	66	51.4 Å²	51.4	29%	0.289	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-55.1	121.1	175.3	-169.1	-88.1	0	0	0	109.1	N4 V8 I31 R32 E84 L85 I167	N4-F6 PolarHBondContact O-N 3.1Å; F6-V8 HydrophobicContact CD1-CG2 4.17Å; F6-V8 HydrophobicContact CE1-CG2 4.09Å; F6-I31 HydrophobicContact CD1-CG2 4.48Å; F6-I31 WeakPolarHBondContact O-CG2 3.11Å; F6-R32 PolarHBondContact O-N 3.07Å; F6-E84 HydrophobicContact CD2-CB 3.88Å; F6-E84 HydrophobicContact CD2-CG 4.18Å; F6-E84 HydrophobicContact CE1-CB 4.19Å; F6-E84 HydrophobicContact CE2-CB 3.44Å; F6-E84 VanDerWaalsContact CE2-CB 3.44Å; F6-E84 HydrophobicContact CE2-CG 4.13Å; F6-E84 HydrophobicContact CG-CB 4.43Å; F6-E84 HydrophobicContact CZ-CB 3.62Å; F6-L85 HydrophobicContact CE1-CB 3.88Å; F6-L85 HydrophobicContact CZ-CB 4.08Å; F6-I167 HydrophobicContact CE1-CD1 3.98Å
7	G	95.7	Very high	83.2	Confident	5 Å²	5	48.4 Å²	48.4	5%	0.052	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127	-175.7	0	0	0	0	0	111.6	L5 R32 E84 L85	L5-G7 PolarHBondContact O-N 2.88Å; L5-G7 VanDerWaalsContact O-N 3.12Å; G7-R32 WeakPolarHBondContact CA-O 3.08Å; G7-E84 WeakPolarHBondContact CA-OE2 3.39Å; G7-E84 PolarHBondContact N-OE2 3.47Å; G7-E84 PolarHBondContact O-N 3Å; G7-L85 PolarHBondContact O-N 2.79Å
8	V	97.4	Very high	84	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.4	169.9	176.6	0	0	0	0	108.7	F6 I31 R32 V33 T34 L85 F87 I167	F6-V8 HydrophobicContact CD1-CG2 4.17Å; F6-V8 HydrophobicContact CE1-CG2 4.09Å; V8-I31 HydrophobicContact CB-CG2 4.15Å; V8-I31 HydrophobicContact CG2-CG2 3.5Å; V8-I31 VanDerWaalsContact CG2-CG2 3.5Å; V8-R32 PolarHBondContact N-O 3.38Å; V8-V33 HydrophobicContact CB-CG1 4.46Å; V8-V33 HydrophobicContact CB-CG2 4.32Å; V8-V33 HydrophobicContact CG1-CG1 4.38Å; V8-V33 CarbonylContact O-C 3.5Å; V8-V33 WeakPolarHBondContact O-CA 3.28Å; V8-T34 PolarHBondContact O-N 3.09Å; V8-L85 CarbonylContact C-O 3.39Å; V8-L85 WeakPolarHBondContact CA-O 3.45Å; V8-L85 HydrophobicContact CG2-CB 4.31Å; V8-L85 HydrophobicContact CG2-CD2 4.3Å; V8-F87 HydrophobicContact CG1-CD2 3.6Å; V8-F87 HydrophobicContact CG1-CE2 3.74Å; V8-I167 HydrophobicContact CG2-CD1 4.25Å
9	C	97.3	Very high	84.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.3	168.3	177.3	0	0	0	0	109.4	T34 A83 L85 I86 F87	C9-T34 CarbonylContact C-O 3.56Å; C9-T34 WeakPolarHBondContact CA-O 3.44Å; C9-A83 HydrophobicContact CB-CB 3.47Å; C9-A83 VanDerWaalsContact CB-CB 3.47Å; C9-L85 PolarHBondContact N-O 3.41Å; C9-I86 HydrophobicContact CB-CG1 4.31Å; C9-I86 HydrophobicContact CB-CG2 4.5Å; C9-I86 CarbonylContact O-C 3.55Å; C9-I86 VanDerWaalsContact O-CA 3.29Å; C9-I86 WeakPolarHBondContact O-CA 3.5Å; C9-F87 PolarHBondContact O-N 3.3Å
10	C	97.6	Very high	85.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.2	170.7	-173.7	0	0	0	0	110.4	G17 S21 T34 V35 V36 F87 S89	C10-G17 VanDerWaalsContact SG-CA 3.52Å; C10-S21 WeakPolarHBondContact CB-OG 3.47Å; C10-S21 PolarHBondContact SG-OG 3.38Å; C10-S21 VanDerWaalsContact SG-OG 3.37Å; C10-T34 PolarHBondContact N-O 2.79Å; C10-V35 HydrophobicContact CB-CG1 4.4Å; C10-V35 HydrophobicContact CB-CG2 4.41Å; C10-V35 CarbonylContact O-C 3.59Å; C10-V35 WeakPolarHBondContact O-CA 3.43Å; C10-V36 PolarHBondContact O-N 3.3Å; C10-F87 CarbonylContact C-O 3.57Å; C10-F87 WeakPolarHBondContact CA-O 3.46Å; C10-F87 HydrophobicContact CB-CB 4.17Å; C10-S89 PolarHBondContact SG-OG 3.18Å
11	I	95.9	Very high	85.9	Confident	10 Å²	10	39.7 Å²	39.7	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	113.6	177.8	-52.6	-179.9	0	0	0	109	V36 I76 I80 I86 F87 S89 V90 L112	I11-V36 HydrophobicContact CB-CG2 4.31Å; I11-V36 HydrophobicContact CG1-CG2 3.9Å; I11-I76 HydrophobicContact CD1-CG2 4.47Å; I11-I80 HydrophobicContact CD1-CD1 3.87Å; I11-I80 HydrophobicContact CD1-CG1 4.18Å; I11-I86 HydrophobicContact CD1-CG2 3.83Å; I11-I86 HydrophobicContact CG1-CG2 4.1Å; I11-F87 PolarHBondContact N-O 3.06Å; I11-S89 CarbonylContact O-C 3.55Å; I11-S89 WeakPolarHBondContact O-CA 3.34Å; I11-S89 PolarHBondContact O-N 3.35Å; I11-V90 HydrophobicContact CG2-CG1 4.39Å; I11-L112 HydrophobicContact CD1-CD1 3.73Å; I11-L112 HydrophobicContact CD1-CD2 3.56Å; I11-L112 HydrophobicContact CD1-CG 4.3Å
12	G	94.3	Very high	88.6	Confident	6 Å²	6	31.6 Å²	31.6	6%	0.062	19%	0.187	C	C	.	.			trans	112.7	99.7	-177.6	0	0	0	0	0	111.4	G14 G17 V36	G12-G14 PolarHBondContact O-N 3.17Å; G12-G14 VanDerWaalsContact O-N 3.13Å; G12-G17 WeakPolarHBondContact O-CA 3.42Å; G12-V36 PolarHBondContact N-O 2.99Å
13	A	95.5	Very high	91	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	15%	0.149	C	C	.	.			trans	-88.4	36.1	177.6	0	0	0	0	0	111.5	V35 D37 I43 W46	A13-V35 HydrophobicContact CB-CG1 3.7Å; A13-D37 HydrophobicContact CB-CB 3.61Å; A13-D37 PolarHBondContact N-OD2 2.9Å; A13-I43 HydrophobicContact CB-CD1 3.83Å; A13-W46 PolarHBondContact O-NE1 3.16Å
14	G	92.8	Very high	93.2	Very high	22 Å²	22	21.8 Å²	21.8	23%	0.227	12%	0.119	C	C	.	.	S	Bend	trans	-88	-162.1	177.1	0	0	0	0	0	112.6	G12 V16 G18	G12-G14 PolarHBondContact O-N 3.17Å; G12-G14 VanDerWaalsContact O-N 3.13Å; G14-V16 PolarHBondContact O-N 3.09Å; G14-G18 PolarHBondContact O-N 3.32Å; G14-G18 VanDerWaalsContact O-N 3.14Å
15	Y	89.8	Confident	94.9	Very high	52 Å²	52	14.5 Å²	14.5	20%	0.204	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.4	-177	-176.9	-97.6	0	0	0	114.7	P19 I53 E55 L132 A133 E134 A137	Y15-P19 VanDerWaalsContact O-CD 3.23Å; Y15-P19 WeakPolarHBondContact O-CD 3.44Å; Y15-P19 VanDerWaalsContact O-CG 3.23Å; Y15-P19 WeakPolarHBondContact O-CG 3.11Å; Y15-I53 HydrophobicContact CD2-CD1 4.4Å; Y15-E55 HydrophobicContact CE2-CG 3.94Å; Y15-E55 WeakPolarHBondContact CE2-OE1 3.08Å; Y15-E55 PolarHBondContact OH-OE1 2.77Å; Y15-L132 HydrophobicContact CE1-CB 4.3Å; Y15-A133 PolarHBondContact OH-O 3.21Å; Y15-E134 HydrophobicContact CE1-CG 3.91Å; Y15-E134 HydrophobicContact CE2-CG 3.9Å; Y15-E134 WeakPolarHBondContact OH-CA 3.48Å; Y15-E134 PolarHBondContact OH-N 2.76Å; Y15-A137 WeakPolarHBondContact OH-CB 3.02Å
16	V	92.8	Very high	96	Very high	39 Å²	39	14.1 Å²	14.1	24%	0.236	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-56.6	178.3	178.5	0	0	0	0	110.9	G14 G18 T20 E130 L132	G14-V16 PolarHBondContact O-N 3.09Å; V16-G18 PolarHBondContact O-N 2.9Å; V16-T20 VanDerWaalsContact O-CB 3.22Å; V16-T20 WeakPolarHBondContact O-CB 3.25Å; V16-T20 PolarHBondContact O-N 3.29Å; V16-T20 PolarHBondContact O-OG1 2.73Å; V16-E130 HydrophobicContact CG1-CB 4.06Å; V16-E130 HydrophobicContact CG1-CG 3.94Å; V16-E130 HydrophobicContact CG2-CG 4.01Å; V16-L132 HydrophobicContact CG1-CD1 4.46Å
17	G	95.7	Very high	96.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.4	-37.3	-169	0	0	0	0	0	114.2	C10 G12 S21 S89	C10-G17 VanDerWaalsContact SG-CA 3.52Å; G12-G17 WeakPolarHBondContact O-CA 3.42Å; G17-S21 WeakPolarHBondContact O-CB 3.46Å; G17-S21 PolarHBondContact O-N 2.66Å; G17-S21 PolarHBondContact O-OG 3.17Å; G17-S89 VanDerWaalsContact CA-CB 3.42Å
18	G	96.5	Very high	96.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.1	-66.1	175.2	0	0	0	0	0	111.9	G14 V16 T20 S21 S22	G14-G18 PolarHBondContact O-N 3.32Å; G14-G18 VanDerWaalsContact O-N 3.14Å; V16-G18 PolarHBondContact O-N 2.9Å; G18-T20 PolarHBondContact O-N 3.35Å; G18-S21 PolarHBondContact O-N 3.29Å; G18-S22 PolarHBondContact O-N 3.03Å; G18-S22 PolarHBondContact O-OG 3.47Å
19	P	96.5	Very high	96.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-54.4	-45.6	179.1	-32	40.5	0	0	0	114.4	Y15 S21 S22 V23 I53 L58 I138 L141	Y15-P19 VanDerWaalsContact O-CD 3.23Å; Y15-P19 WeakPolarHBondContact O-CD 3.44Å; Y15-P19 VanDerWaalsContact O-CG 3.23Å; Y15-P19 WeakPolarHBondContact O-CG 3.11Å; P19-S21 VanDerWaalsContact C-N 3.34Å; P19-S21 PolarHBondContact O-N 3.25Å; P19-S22 PolarHBondContact O-N 3.21Å; P19-V23 WeakPolarHBondContact O-CG2 3.1Å; P19-V23 PolarHBondContact O-N 2.72Å; P19-I53 HydrophobicContact CG-CD1 3.38Å; P19-L58 HydrophobicContact CB-CD1 4.39Å; P19-L58 HydrophobicContact CG-CD1 4.26Å; P19-L58 HydrophobicContact CG-CD2 4.38Å; P19-I138 HydrophobicContact CB-CD1 3.91Å; P19-L141 VanDerWaalsContact C-CD1 3.5Å; P19-L141 HydrophobicContact CB-CD1 3.68Å
20	T	97.4	Very high	96.3	Very high	11 Å²	11	21.6 Å²	21.6	7%	0.067	11%	0.113	C	C	.	.	H	α-helix	trans	-59.8	-46.7	-179.8	-56.4	0	0	0	0	110.8	V16 G18 V23 I24 L141	V16-T20 VanDerWaalsContact O-CB 3.22Å; V16-T20 WeakPolarHBondContact O-CB 3.25Å; V16-T20 PolarHBondContact O-N 3.29Å; V16-T20 PolarHBondContact O-OG1 2.73Å; G18-T20 PolarHBondContact O-N 3.35Å; T20-V23 PolarHBondContact O-N 2.62Å; T20-I24 HydrophobicContact CG2-CD1 4.08Å; T20-I24 WeakPolarHBondContact O-CG1 3.36Å; T20-I24 PolarHBondContact O-N 2.79Å; T20-L141 HydrophobicContact CG2-CD2 4.2Å
21	S	98.3	Very high	96.2	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-39.3	178.9	-61.8	0	0	0	0	112.5	C10 G17 G18 P19 V23 I24 A25	C10-S21 WeakPolarHBondContact CB-OG 3.47Å; C10-S21 PolarHBondContact SG-OG 3.38Å; C10-S21 VanDerWaalsContact SG-OG 3.37Å; G17-S21 WeakPolarHBondContact O-CB 3.46Å; G17-S21 PolarHBondContact O-N 2.66Å; G17-S21 PolarHBondContact O-OG 3.17Å; G18-S21 PolarHBondContact O-N 3.29Å; P19-S21 VanDerWaalsContact C-N 3.34Å; P19-S21 PolarHBondContact O-N 3.25Å; S21-V23 VanDerWaalsContact C-N 3.34Å; S21-I24 PolarHBondContact O-N 2.85Å; S21-A25 WeakPolarHBondContact O-CB 3.3Å; S21-A25 PolarHBondContact O-N 3.05Å
22	S	98.4	Very high	96.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-41.6	175.9	-59.7	0	0	0	0	111.7	G18 P19 A25 Y26 V61 V62	G18-S22 PolarHBondContact O-N 3.03Å; G18-S22 PolarHBondContact O-OG 3.47Å; P19-S22 PolarHBondContact O-N 3.21Å; S22-A25 PolarHBondContact O-N 3.26Å; S22-Y26 VanDerWaalsContact O-CB 3.29Å; S22-Y26 WeakPolarHBondContact O-CB 3.43Å; S22-Y26 PolarHBondContact O-N 3.45Å; S22-V61 WeakPolarHBondContact O-CG1 3.46Å; S22-V62 WeakPolarHBondContact OG-CG2 3.36Å
23	V	98.4	Very high	96.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.7	-40.4	176.1	173.3	0	0	0	0	111.7	P19 T20 S21 A25 Y26 K27 V61 I138 L141 L142 W171	P19-V23 WeakPolarHBondContact O-CG2 3.1Å; P19-V23 PolarHBondContact O-N 2.72Å; T20-V23 PolarHBondContact O-N 2.62Å; S21-V23 VanDerWaalsContact C-N 3.34Å; V23-A25 PolarHBondContact O-N 3.1Å; V23-Y26 PolarHBondContact O-N 3.12Å; V23-K27 HydrophobicContact CG1-CG 4.18Å; V23-K27 WeakPolarHBondContact O-CB 3.43Å; V23-K27 WeakPolarHBondContact O-CG 3Å; V23-K27 PolarHBondContact O-N 3.46Å; V23-V61 HydrophobicContact CG2-CG1 4.47Å; V23-I138 HydrophobicContact CG2-CD1 4.29Å; V23-L141 HydrophobicContact CB-CB 4.14Å; V23-L141 HydrophobicContact CB-CD1 4.5Å; V23-L141 HydrophobicContact CG1-CB 4.09Å; V23-L141 HydrophobicContact CG2-CB 3.81Å; V23-L141 HydrophobicContact CG2-CD1 3.98Å; V23-L142 HydrophobicContact CG1-CD2 3.92Å; V23-L142 HydrophobicContact CG1-CG 4.48Å; V23-W171 HydrophobicContact CG1-CZ2 4.16Å
24	I	98.5	Very high	96.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-49.7	173.6	-69.8	166.6	0	0	0	110.1	T20 S21 Y26 K27 C28 V33 F87 I167 W171	T20-I24 HydrophobicContact CG2-CD1 4.08Å; T20-I24 WeakPolarHBondContact O-CG1 3.36Å; T20-I24 PolarHBondContact O-N 2.79Å; S21-I24 PolarHBondContact O-N 2.85Å; I24-Y26 VanDerWaalsContact C-N 3.29Å; I24-Y26 PolarHBondContact O-N 2.77Å; I24-K27 PolarHBondContact O-N 3.36Å; I24-C28 WeakPolarHBondContact O-CB 3.31Å; I24-C28 PolarHBondContact O-N 3.1Å; I24-C28 PolarHBondContact O-SG 3.28Å; I24-V33 HydrophobicContact CG2-CG2 3.92Å; I24-F87 HydrophobicContact CD1-CE2 3.8Å; I24-F87 HydrophobicContact CD1-CZ 3.77Å; I24-I167 HydrophobicContact CG2-CG2 3.99Å; I24-W171 HydrophobicContact CG1-CH2 3.98Å
25	A	98.4	Very high	96.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-37.8	178.7	0	0	0	0	0	112.3	S21 S22 V23 C28 V33 C65 N69 L70	S21-A25 WeakPolarHBondContact O-CB 3.3Å; S21-A25 PolarHBondContact O-N 3.05Å; S22-A25 PolarHBondContact O-N 3.26Å; V23-A25 PolarHBondContact O-N 3.1Å; A25-C28 CarbonylContact O-C 3.57Å; A25-V33 HydrophobicContact CB-CB 4.11Å; A25-V33 HydrophobicContact CB-CG2 3.81Å; A25-C65 HydrophobicContact CB-CB 4.05Å; A25-N69 PolarHBondContact O-ND2 2.97Å; A25-L70 HydrophobicContact CB-CB 3.83Å; A25-L70 HydrophobicContact CB-CD1 4.15Å; A25-L70 HydrophobicContact CB-CG 4.43Å
26	Y	98.3	Very high	97.3	Very high	80 Å²	80	22.8 Å²	22.8	31%	0.314	11%	0.109	S	C	.	.	H	α-helix	trans	-69.2	-35.4	178.2	-178	-118.2	0	0	0	113.4	S22 V23 I24 V61 K64 C65 L142	S22-Y26 VanDerWaalsContact O-CB 3.29Å; S22-Y26 WeakPolarHBondContact O-CB 3.43Å; S22-Y26 PolarHBondContact O-N 3.45Å; V23-Y26 PolarHBondContact O-N 3.12Å; I24-Y26 VanDerWaalsContact C-N 3.29Å; I24-Y26 PolarHBondContact O-N 2.77Å; Y26-V61 HydrophobicContact CG-CG1 4.12Å; Y26-K64 HydrophobicContact CD2-CB 4.33Å; Y26-K64 HydrophobicContact CD2-CD 4.34Å; Y26-K64 HydrophobicContact CE2-CB 4.35Å; Y26-K64 HydrophobicContact CE2-CD 3.57Å; Y26-C65 WeakPolarHBondContact CA-SG 3.46Å; Y26-C65 PolarHBondContact N-SG 3.13Å; Y26-L142 HydrophobicContact CD1-CD2 4.42Å
27	K	97.9	Very high	97.5	Very high	66 Å²	66	21.7 Å²	21.7	29%	0.287	10%	0.102	S	C	.	.	H	α-helix	trans	-90.4	-19.1	-178.7	-66.8	-61.4	-164.8	172.3	0	114	V23 I24 L142 W171	V23-K27 HydrophobicContact CG1-CG 4.18Å; V23-K27 WeakPolarHBondContact O-CB 3.43Å; V23-K27 WeakPolarHBondContact O-CG 3Å; V23-K27 PolarHBondContact O-N 3.46Å; I24-K27 PolarHBondContact O-N 3.36Å; K27-L142 HydrophobicContact CD-CD2 4.45Å; K27-L142 HydrophobicContact CG-CD2 4.49Å; K27-W171 HydrophobicContact CB-CB 4.27Å; K27-W171 HydrophobicContact CB-CD2 3.71Å; K27-W171 HydrophobicContact CB-CE3 3.34Å; K27-W171 HydrophobicContact CB-CG 4.12Å; K27-W171 HydrophobicContact CB-CZ3 3.92Å; K27-W171 HydrophobicContact CD-CB 3.72Å; K27-W171 HydrophobicContact CD-CD2 4.44Å; K27-W171 HydrophobicContact CD-CG 3.98Å; K27-W171 HydrophobicContact CG-CB 3.93Å; K27-W171 HydrophobicContact CG-CD2 3.63Å; K27-W171 HydrophobicContact CG-CE3 3.85Å; K27-W171 HydrophobicContact CG-CG 3.67Å
28	C	97.5	Very high	97.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.141	C	C	.	.			trans	-128.1	74.2	-179.7	-42.1	0	0	0	0	109.7	I24 A25 E30 I31 N69	I24-C28 WeakPolarHBondContact O-CB 3.31Å; I24-C28 PolarHBondContact O-N 3.1Å; I24-C28 PolarHBondContact O-SG 3.28Å; A25-C28 CarbonylContact O-C 3.57Å; C28-E30 WeakPolarHBondContact CB-OE1 3.47Å; C28-E30 PolarHBondContact O-N 2.84Å; C28-E30 VanDerWaalsContact O-N 3.1Å; C28-I31 HydrophobicContact CB-CB 3.96Å; C28-I31 HydrophobicContact CB-CD1 3.56Å; C28-I31 HydrophobicContact CB-CG1 3.72Å; C28-I31 PolarHBondContact O-N 3.41Å; C28-N69 PolarHBondContact O-ND2 2.98Å
29	P	96.2	Very high	97.3	Very high	74 Å²	74	32.7 Å²	32.7	48%	0.481	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.8	-178	-25.9	36	0	0	0	114.5	I31 N69	P29-I31 VanDerWaalsContact C-N 3.35Å; P29-N69 WeakPolarHBondContact CA-ND2 3.24Å; P29-N69 PolarHBondContact O-ND2 2.88Å
30	E	95.3	Very high	97.3	Very high	90 Å²	90	39.8 Å²	39.8	42%	0.421	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-4.2	176.7	73.6	-64.8	152	0	0	114.6	L5 C28 H170	L5-E30 WeakPolarHBondContact CD2-O 3.46Å; C28-E30 WeakPolarHBondContact CB-OE1 3.47Å; C28-E30 PolarHBondContact O-N 2.84Å; C28-E30 VanDerWaalsContact O-N 3.1Å; E30-H170 IonicContact OE1-CD2 3.02Å; E30-H170 IonicContact OE1-NE2 3.25Å; E30-H170 PolarHBondContact OE1-NE2 3.2Å
31	I	96.8	Very high	97.2	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.041	20%	0.204	C	C	.	.	S	Bend	trans	-99.5	130.4	174.9	-63.8	-176	0	0	0	109	F6 V8 C28 P29 V33 N69 I167	F6-I31 HydrophobicContact CD1-CG2 4.48Å; F6-I31 WeakPolarHBondContact O-CG2 3.11Å; V8-I31 HydrophobicContact CB-CG2 4.15Å; V8-I31 HydrophobicContact CG2-CG2 3.5Å; V8-I31 VanDerWaalsContact CG2-CG2 3.5Å; C28-I31 HydrophobicContact CB-CB 3.96Å; C28-I31 HydrophobicContact CB-CD1 3.56Å; C28-I31 HydrophobicContact CB-CG1 3.72Å; C28-I31 PolarHBondContact O-N 3.41Å; P29-I31 VanDerWaalsContact C-N 3.35Å; I31-V33 HydrophobicContact CG2-CG2 3.91Å; I31-V33 PolarHBondContact O-N 2.99Å; I31-N69 WeakPolarHBondContact O-CB 3.37Å; I31-N69 PolarHBondContact O-ND2 2.93Å; I31-N69 VanDerWaalsContact O-ND2 3.08Å; I31-I167 HydrophobicContact CD1-CD1 4.22Å; I31-I167 HydrophobicContact CD1-CG1 3.87Å; I31-I167 HydrophobicContact CD1-CG2 4.19Å
32	R	97.7	Very high	97	Very high	96 Å²	96	46.7 Å²	46.7	36%	0.362	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	112.2	171.9	-177.5	-178.2	179.8	83.2	8.2	109.3	L5 F6 G7 V8 F71	L5-R32 HydrophobicContact CB-CB 4.41Å; F6-R32 PolarHBondContact O-N 3.07Å; G7-R32 WeakPolarHBondContact CA-O 3.08Å; V8-R32 PolarHBondContact N-O 3.38Å; R32-F71 HydrophobicContact CG-CD2 4.23Å; R32-F71 HydrophobicContact CG-CE2 4.13Å; R32-F71 VanDerWaalsContact NH1-CZ 3.32Å
33	V	98.5	Very high	97	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.3	179.1	-170.7	0	0	0	0	110.4	V8 I24 A25 I31 N69 L70 F71	V8-V33 HydrophobicContact CB-CG1 4.46Å; V8-V33 HydrophobicContact CB-CG2 4.32Å; V8-V33 HydrophobicContact CG1-CG1 4.38Å; V8-V33 CarbonylContact O-C 3.5Å; V8-V33 WeakPolarHBondContact O-CA 3.28Å; I24-V33 HydrophobicContact CG2-CG2 3.92Å; A25-V33 HydrophobicContact CB-CB 4.11Å; A25-V33 HydrophobicContact CB-CG2 3.81Å; I31-V33 HydrophobicContact CG2-CG2 3.91Å; I31-V33 PolarHBondContact O-N 2.99Å; V33-N69 PolarHBondContact N-O 3.12Å; V33-L70 HydrophobicContact CB-CD1 4.17Å; V33-L70 HydrophobicContact CG1-CD1 4.11Å; V33-L70 WeakPolarHBondContact O-CA 3.3Å; V33-F71 PolarHBondContact O-N 3.21Å
34	T	98.6	Very high	97	Very high	11 Å²	11	54.9 Å²	54.9	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115.3	175	-52.4	0	0	0	0	109.9	V8 C9 C10 V36 F71 A79	V8-T34 PolarHBondContact O-N 3.09Å; C9-T34 CarbonylContact C-O 3.56Å; C9-T34 WeakPolarHBondContact CA-O 3.44Å; C10-T34 PolarHBondContact N-O 2.79Å; T34-V36 HydrophobicContact CG2-CG1 4.02Å; T34-F71 CarbonylContact C-O 3.59Å; T34-F71 WeakPolarHBondContact CA-O 3.42Å; T34-F71 HydrophobicContact CG2-CB 4.41Å; T34-A79 HydrophobicContact CG2-CB 3.93Å
35	V	98.5	Very high	97	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.6	175.1	-168.8	0	0	0	0	108.9	C10 A13 L70 F71 F72 S73	C10-V35 HydrophobicContact CB-CG1 4.4Å; C10-V35 HydrophobicContact CB-CG2 4.41Å; C10-V35 CarbonylContact O-C 3.59Å; C10-V35 WeakPolarHBondContact O-CA 3.43Å; A13-V35 HydrophobicContact CB-CG1 3.7Å; V35-L70 HydrophobicContact CG2-CD1 4.04Å; V35-F71 PolarHBondContact N-O 3.45Å; V35-F72 HydrophobicContact CB-CD1 3.61Å; V35-F72 HydrophobicContact CB-CE1 3.82Å; V35-F72 HydrophobicContact CG1-CD1 4.17Å; V35-F72 HydrophobicContact CG1-CE1 4.25Å; V35-F72 HydrophobicContact CG2-CD1 4.08Å; V35-F72 HydrophobicContact CG2-CE1 3.8Å; V35-F72 VanDerWaalsContact O-CA 3.31Å; V35-F72 WeakPolarHBondContact O-CA 3.36Å; V35-S73 PolarHBondContact O-N 3.09Å
36	V	98	Very high	96.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.6	-178.2	-61.2	0	0	0	0	112.9	C10 I11 G12 T34 S73 I76 A79	C10-V36 PolarHBondContact O-N 3.3Å; I11-V36 HydrophobicContact CB-CG2 4.31Å; I11-V36 HydrophobicContact CG1-CG2 3.9Å; G12-V36 PolarHBondContact N-O 2.99Å; T34-V36 HydrophobicContact CG2-CG1 4.02Å; V36-S73 WeakPolarHBondContact CA-O 3.36Å; V36-I76 HydrophobicContact CB-CG1 3.94Å; V36-I76 HydrophobicContact CG2-CB 4.31Å; V36-I76 HydrophobicContact CG2-CG1 3.86Å; V36-I76 HydrophobicContact CG2-CG2 4.3Å; V36-A79 HydrophobicContact CG1-CB 3.49Å; V36-A79 VanDerWaalsContact CG1-CB 3.49Å
37	D	95.8	Very high	96.9	Very high	16 Å²	16	57.3 Å²	57.3	9%	0.086	27%	0.267	C	S	.	.			trans	-149.4	147.1	174.6	-160.5	-58.4	0	0	0	109.2	A13 C39 K42 I43 S73	A13-D37 HydrophobicContact CB-CB 3.61Å; A13-D37 PolarHBondContact N-OD2 2.9Å; D37-C39 PolarHBondContact O-N 2.78Å; D37-C39 VanDerWaalsContact OD1-CB 3.26Å; D37-C39 WeakPolarHBondContact OD1-CB 3.35Å; D37-C39 PolarHBondContact OD1-N 3.14Å; D37-K42 IonicContact OD2-NZ 3.04Å; D37-I43 HydrophobicContact CB-CD1 3.89Å; D37-I43 HydrophobicContact CB-CG1 4.12Å; D37-S73 PolarHBondContact N-O 3.49Å
38	K	93.4	Very high	96.9	Very high	187 Å²	187	56 Å²	56	81%	0.813	27%	0.266	S	S	*	.	S	Bend	trans	-70.7	-18.2	174.8	65.3	179.3	-177.2	178.5	0	112.8	E40	K38-E40 PolarHBondContact O-N 3.46Å
39	C	94.4	Very high	96.6	Very high	45 Å²	45	61.6 Å²	61.6	30%	0.304	30%	0.296	S	S	.	.			trans	-81.1	96.6	-179.5	-171.2	0	0	0	0	110.2	D37 E41 K42 I43	D37-C39 PolarHBondContact O-N 2.78Å; D37-C39 VanDerWaalsContact OD1-CB 3.26Å; D37-C39 WeakPolarHBondContact OD1-CB 3.35Å; D37-C39 PolarHBondContact OD1-N 3.14Å; C39-E41 PolarHBondContact O-N 3.15Å; C39-K42 HydrophobicContact CB-CB 4.2Å; C39-K42 HydrophobicContact CB-CD 4.03Å; C39-K42 HydrophobicContact CB-CG 4.06Å; C39-K42 PolarHBondContact O-N 2.84Å; C39-K42 VanDerWaalsContact O-N 3.12Å; C39-I43 PolarHBondContact O-N 2.66Å; C39-I43 VanDerWaalsContact O-N 3.16Å
40	E	97.2	Very high	96.4	Very high	149 Å²	149	62.2 Å²	62.2	70%	0.696	30%	0.301	S	S	*	.	H	α-helix	trans	-52.3	-40.5	178.5	-60	-174	173.4	0	0	112.2	K38 K42 I43 R44 T74	K38-E40 PolarHBondContact O-N 3.46Å; E40-K42 PolarHBondContact O-N 2.65Å; E40-I43 PolarHBondContact O-N 3.36Å; E40-R44 WeakPolarHBondContact O-CB 3.39Å; E40-R44 PolarHBondContact O-N 3.43Å; E40-T74 HydrophobicContact CG-CG2 4.1Å
41	E	95.8	Very high	96.4	Very high	83 Å²	83	59.2 Å²	59.2	39%	0.388	29%	0.288	S	S	.	.	H	α-helix	trans	-61	-46.2	179.3	-180	55.5	-161.2	0	0	112.5	C39 I43 R44 Q45	C39-E41 PolarHBondContact O-N 3.15Å; E41-I43 VanDerWaalsContact C-N 3.33Å; E41-I43 PolarHBondContact O-N 3.44Å; E41-R44 WeakPolarHBondContact O-CB 3.39Å; E41-R44 PolarHBondContact O-N 3.12Å; E41-R44 IonicContact OE1-CZ 3.93Å; E41-R44 IonicContact OE1-NE 3.83Å; E41-R44 IonicContact OE1-NH2 3.54Å; E41-R44 PolarHBondContact OE1-NH2 3.14Å; E41-R44 IonicContact OE2-CZ 3.92Å; E41-R44 IonicContact OE2-NE 2.65Å; E41-R44 PolarHBondContact OE2-NE 2.92Å; E41-R44 IonicContact OE2-NH2 3.06Å; E41-R44 PolarHBondContact OE2-NH2 3.2Å; E41-Q45 VanDerWaalsContact O-CG 3.32Å; E41-Q45 WeakPolarHBondContact O-CG 3.29Å; E41-Q45 PolarHBondContact O-N 3.24Å
42	K	94.4	Very high	96.1	Very high	73 Å²	73	60.6 Å²	60.6	32%	0.317	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-41.9	176.6	-70.8	-178	-149.3	164.2	0	111.5	D37 C39 E40 R44 Q45 W46 P52	D37-K42 IonicContact OD2-NZ 3.04Å; C39-K42 HydrophobicContact CB-CB 4.2Å; C39-K42 HydrophobicContact CB-CD 4.03Å; C39-K42 HydrophobicContact CB-CG 4.06Å; C39-K42 PolarHBondContact O-N 2.84Å; C39-K42 VanDerWaalsContact O-N 3.12Å; E40-K42 PolarHBondContact O-N 2.65Å; K42-R44 VanDerWaalsContact C-N 3.33Å; K42-Q45 WeakPolarHBondContact O-CB 3.19Å; K42-Q45 PolarHBondContact O-N 3.42Å; K42-W46 PolarHBondContact O-N 2.83Å; K42-P52 HydrophobicContact CG-CB 4.48Å
43	I	98.1	Very high	95.6	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.046	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-39.3	179.3	-64.9	-59.7	0	0	0	110.8	A13 D37 C39 E40 E41 Q45 W46 N47 F72 S73 T74	A13-I43 HydrophobicContact CB-CD1 3.83Å; D37-I43 HydrophobicContact CB-CD1 3.89Å; D37-I43 HydrophobicContact CB-CG1 4.12Å; C39-I43 PolarHBondContact O-N 2.66Å; C39-I43 VanDerWaalsContact O-N 3.16Å; E40-I43 PolarHBondContact O-N 3.36Å; E41-I43 VanDerWaalsContact C-N 3.33Å; E41-I43 PolarHBondContact O-N 3.44Å; I43-Q45 VanDerWaalsContact C-N 3.35Å; I43-W46 PolarHBondContact O-N 3.43Å; I43-N47 WeakPolarHBondContact O-CB 3.23Å; I43-N47 PolarHBondContact O-N 3.33Å; I43-N47 PolarHBondContact O-ND2 3.47Å; I43-N47 VanDerWaalsContact O-ND2 3.14Å; I43-F72 HydrophobicContact CD1-CB 4.3Å; I43-F72 HydrophobicContact CG2-CB 4.28Å; I43-S73 WeakPolarHBondContact CD1-O 3.48Å; I43-T74 HydrophobicContact CB-CG2 4.05Å; I43-T74 HydrophobicContact CG1-CG2 3.9Å; I43-T74 HydrophobicContact CG2-CG2 4.18Å
44	R	97.9	Very high	94.9	Very high	163 Å²	163	66.8 Å²	66.8	62%	0.615	32%	0.324	S	S	*	.	H	α-helix	trans	-59.2	-46.1	171.9	-173.5	179.3	72.8	123.6	4.9	111.2	E40 E41 K42 N47 S48	E40-R44 WeakPolarHBondContact O-CB 3.39Å; E40-R44 PolarHBondContact O-N 3.43Å; E41-R44 WeakPolarHBondContact O-CB 3.39Å; E41-R44 PolarHBondContact O-N 3.12Å; E41-R44 IonicContact OE1-CZ 3.93Å; E41-R44 IonicContact OE1-NE 3.83Å; E41-R44 IonicContact OE1-NH2 3.54Å; E41-R44 PolarHBondContact OE1-NH2 3.14Å; E41-R44 IonicContact OE2-CZ 3.92Å; E41-R44 IonicContact OE2-NE 2.65Å; E41-R44 PolarHBondContact OE2-NE 2.92Å; E41-R44 IonicContact OE2-NH2 3.06Å; E41-R44 PolarHBondContact OE2-NH2 3.2Å; K42-R44 VanDerWaalsContact C-N 3.33Å; R44-N47 CarbonylContact O-C 3.56Å; R44-N47 PolarHBondContact O-N 3.37Å; R44-S48 WeakPolarHBondContact O-CB 3.38Å; R44-S48 PolarHBondContact O-N 3.08Å
45	Q	97.4	Very high	94.3	Very high	52 Å²	52	66.8 Å²	66.8	24%	0.243	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-47.1	176.5	-72.7	177.1	-55.8	0	0	112	E41 K42 I43 N47 S48 C50 P52	E41-Q45 VanDerWaalsContact O-CG 3.32Å; E41-Q45 WeakPolarHBondContact O-CG 3.29Å; E41-Q45 PolarHBondContact O-N 3.24Å; K42-Q45 WeakPolarHBondContact O-CB 3.19Å; K42-Q45 PolarHBondContact O-N 3.42Å; I43-Q45 VanDerWaalsContact C-N 3.35Å; Q45-N47 VanDerWaalsContact C-N 3.25Å; Q45-N47 PolarHBondContact O-N 2.92Å; Q45-S48 PolarHBondContact O-N 3.43Å; Q45-S48 PolarHBondContact O-OG 3.49Å; Q45-C50 CarbonylContact C-O 3.54Å; Q45-C50 WeakPolarHBondContact CA-O 3.45Å; Q45-C50 VanDerWaalsContact CB-O 3.29Å; Q45-C50 WeakPolarHBondContact CB-O 3.3Å; Q45-C50 VanDerWaalsContact O-O 3.12Å; Q45-P52 HydrophobicContact CB-CB 3.99Å; Q45-P52 HydrophobicContact CB-CG 4.23Å
46	W	98.2	Very high	93.8	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.8	-31.3	175.7	-79.1	117.3	0	0	0	113.9	A13 K42 I43 S48 L51 P52 I53 L58 V62 R66 F72	A13-W46 PolarHBondContact O-NE1 3.16Å; K42-W46 PolarHBondContact O-N 2.83Å; I43-W46 PolarHBondContact O-N 3.43Å; W46-S48 VanDerWaalsContact C-N 3.28Å; W46-L51 HydrophobicContact CE3-CD2 3.8Å; W46-L51 HydrophobicContact CZ3-CD1 4.16Å; W46-L51 HydrophobicContact CZ3-CD2 4.21Å; W46-P52 HydrophobicContact CD2-CG 3.85Å; W46-P52 HydrophobicContact CG-CG 3.96Å; W46-P52 HydrophobicContact CZ2-CG 3.9Å; W46-I53 HydrophobicContact CH2-CD1 3.73Å; W46-I53 HydrophobicContact CH2-CG1 3.83Å; W46-I53 HydrophobicContact CZ2-CD1 3.79Å; W46-I53 HydrophobicContact CZ2-CG1 3.89Å; W46-L58 HydrophobicContact CH2-CD1 4.25Å; W46-L58 HydrophobicContact CH2-CD2 3.96Å; W46-L58 HydrophobicContact CZ3-CD1 4.22Å; W46-L58 HydrophobicContact CZ3-CD2 4.27Å; W46-V62 HydrophobicContact CE3-CG2 4.36Å; W46-V62 HydrophobicContact CZ3-CG2 3.83Å; W46-R66 WeakPolarHBondContact O-CD 3.33Å; W46-R66 PolarHBondContact O-NH1 3.11Å; W46-F72 HydrophobicContact CB-CB 4.05Å; W46-F72 HydrophobicContact CB-CD1 3.46Å; W46-F72 VanDerWaalsContact CB-CD1 3.46Å; W46-F72 HydrophobicContact CB-CD2 3.91Å; W46-F72 HydrophobicContact CB-CE1 3.77Å; W46-F72 HydrophobicContact CB-CE2 4.18Å; W46-F72 HydrophobicContact CB-CG 3.54Å; W46-F72 HydrophobicContact CB-CZ 4.12Å; W46-F72 HydrophobicContact CD2-CD1 4.03Å; W46-F72 AromaticContact CD2-CE1 3.49Å; W46-F72 HydrophobicContact CD2-CE1 3.49Å; W46-F72 VanDerWaalsContact CD2-CE1 3.49Å; W46-F72 AromaticContact CD2-CZ 3.9Å; W46-F72 HydrophobicContact CD2-CZ 3.9Å; W46-F72 HydrophobicContact CE3-CD1 4.49Å; W46-F72 AromaticContact CE3-CE1 3.62Å; W46-F72 HydrophobicContact CE3-CE1 3.62Å; W46-F72 HydrophobicContact CE3-CE2 4.33Å; W46-F72 AromaticContact CE3-CZ 3.52Å; W46-F72 HydrophobicContact CE3-CZ 3.52Å; W46-F72 AromaticContact CG-CD1 3.56Å; W46-F72 HydrophobicContact CG-CD1 3.56Å; W46-F72 AromaticContact CG-CE1 3.57Å; W46-F72 HydrophobicContact CG-CE1 3.57Å; W46-F72 HydrophobicContact CG-CG 4.18Å; W46-F72 HydrophobicContact CG-CZ 4.17Å; W46-F72 HydrophobicContact CZ3-CE1 4.39Å; W46-F72 HydrophobicContact CZ3-CZ 4.22Å
47	N	97.8	Very high	93.5	Very high	81 Å²	81	74.5 Å²	74.5	43%	0.433	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	5.9	174.6	-74.9	-46.6	0	0	0	113.7	I43 R44 Q45 F72	I43-N47 WeakPolarHBondContact O-CB 3.23Å; I43-N47 PolarHBondContact O-N 3.33Å; I43-N47 PolarHBondContact O-ND2 3.47Å; I43-N47 VanDerWaalsContact O-ND2 3.14Å; R44-N47 CarbonylContact O-C 3.56Å; R44-N47 PolarHBondContact O-N 3.37Å; Q45-N47 VanDerWaalsContact C-N 3.25Å; Q45-N47 PolarHBondContact O-N 2.92Å; N47-F72 PolarHBondContact ND2-O 3.16Å; N47-F72 VanDerWaalsContact ND2-O 3.14Å
48	S	96.4	Very high	93.4	Very high	39 Å²	39	73.9 Å²	73.9	27%	0.273	36%	0.364	S	S	.	.	S	Bend	trans	-120	175.2	179	80.6	0	0	0	0	111.6	R44 Q45 W46 C50 R66	R44-S48 WeakPolarHBondContact O-CB 3.38Å; R44-S48 PolarHBondContact O-N 3.08Å; Q45-S48 PolarHBondContact O-N 3.43Å; Q45-S48 PolarHBondContact O-OG 3.49Å; W46-S48 VanDerWaalsContact C-N 3.28Å; S48-C50 PolarHBondContact O-N 2.96Å; S48-C50 PolarHBondContact OG-N 2.86Å; S48-C50 VanDerWaalsContact OG-N 3.08Å; S48-C50 PolarHBondContact OG-O 2.71Å; S48-R66 PolarHBondContact O-NH1 3.33Å
49	D	92	Very high	93.5	Very high	117 Å²	117	69.7 Å²	69.7	63%	0.626	35%	0.347	S	S	*	.	S	Bend	trans	-79.6	-0.8	174	-56.2	-33.6	0	0	0	112.7	R66	D49-R66 IonicContact OD1-NH2 2.81Å; D49-R66 PolarHBondContact OD1-NH2 2.64Å
50	C	92.2	Very high	93.6	Very high	88 Å²	88	71.9 Å²	71.9	60%	0.595	35%	0.353	S	S	*	.	S	Bend	trans	-109.3	87.8	173.4	-169.6	0	0	0	0	110.1	Q45 S48	Q45-C50 CarbonylContact C-O 3.54Å; Q45-C50 WeakPolarHBondContact CA-O 3.45Å; Q45-C50 VanDerWaalsContact CB-O 3.29Å; Q45-C50 WeakPolarHBondContact CB-O 3.3Å; Q45-C50 VanDerWaalsContact O-O 3.12Å; S48-C50 PolarHBondContact O-N 2.96Å; S48-C50 PolarHBondContact OG-N 2.86Å; S48-C50 VanDerWaalsContact OG-N 3.08Å; S48-C50 PolarHBondContact OG-O 2.71Å
51	L	94.3	Very high	93.5	Very high	27 Å²	27	65.2 Å²	65.2	14%	0.141	32%	0.322	C	S	.	.			trans	-64.8	149.7	180	-59.8	-172.9	0	0	0	112.1	W46 I53 L58 E59 V62	W46-L51 HydrophobicContact CE3-CD2 3.8Å; W46-L51 HydrophobicContact CZ3-CD1 4.16Å; W46-L51 HydrophobicContact CZ3-CD2 4.21Å; L51-I53 PolarHBondContact O-N 2.98Å; L51-L58 HydrophobicContact CD1-CD2 4.09Å; L51-L58 HydrophobicContact CD1-CG 3.88Å; L51-E59 HydrophobicContact CD1-CB 4.25Å; L51-V62 HydrophobicContact CD1-CB 4.38Å; L51-V62 HydrophobicContact CD1-CG2 4.06Å; L51-V62 HydrophobicContact CD2-CG1 4.26Å
52	P	91.6	Very high	93.7	Very high	36 Å²	36	61.3 Å²	61.3	23%	0.234	30%	0.304	C	S	.	.	S	Bend	trans	-73.5	-9.8	-177.5	29.1	-33.7	0	0	0	113.8	K42 Q45 W46	K42-P52 HydrophobicContact CG-CB 4.48Å; Q45-P52 HydrophobicContact CB-CB 3.99Å; Q45-P52 HydrophobicContact CB-CG 4.23Å; W46-P52 HydrophobicContact CD2-CG 3.85Å; W46-P52 HydrophobicContact CG-CG 3.96Å; W46-P52 HydrophobicContact CZ2-CG 3.9Å
53	I	88	Confident	93.8	Very high	36 Å²	36	62.6 Å²	62.6	19%	0.185	31%	0.312	C	S	.	.	S	Bend	trans	-137.4	148.6	179.7	57.9	172.2	0	0	0	109.3	Y15 P19 W46 L51 L58	Y15-I53 HydrophobicContact CD2-CD1 4.4Å; P19-I53 HydrophobicContact CG-CD1 3.38Å; W46-I53 HydrophobicContact CH2-CD1 3.73Å; W46-I53 HydrophobicContact CH2-CG1 3.83Å; W46-I53 HydrophobicContact CZ2-CD1 3.79Å; W46-I53 HydrophobicContact CZ2-CG1 3.89Å; L51-I53 PolarHBondContact O-N 2.98Å; I53-L58 HydrophobicContact CD1-CD2 3.71Å; I53-L58 HydrophobicContact CG1-CD2 3.55Å
54	Y	82.3	Confident	93.7	Very high	190 Å²	190	67.1 Å²	67.1	75%	0.745	33%	0.331	S	S	*	.			trans	-108.3	122.1	173.4	174.1	-96.2	0	0	0	109.5
55	E	87	Confident	93.7	Very high	12 Å²	12	59.6 Å²	59.6	6%	0.056	30%	0.303	C	S	.	.			trans	-141.1	140	168.7	-81.7	-66.8	141.3	0	0	107.7	Y15 L57 L58 G135 T136 A137 I138	Y15-E55 HydrophobicContact CE2-CG 3.94Å; Y15-E55 WeakPolarHBondContact CE2-OE1 3.08Å; Y15-E55 PolarHBondContact OH-OE1 2.77Å; E55-L57 PolarHBondContact O-N 3.22Å; E55-L58 HydrophobicContact CB-CB 3.93Å; E55-L58 HydrophobicContact CB-CD2 4.29Å; E55-L58 WeakPolarHBondContact O-CB 3.25Å; E55-L58 PolarHBondContact O-N 3.01Å; E55-L58 VanDerWaalsContact O-N 3.13Å; E55-G135 PolarHBondContact OE1-N 3.43Å; E55-G135 VanDerWaalsContact OE2-C 3.28Å; E55-G135 PolarHBondContact OE2-N 3.34Å; E55-T136 PolarHBondContact OE2-N 2.93Å; E55-T136 VanDerWaalsContact OE2-N 3.16Å; E55-A137 HydrophobicContact CG-CB 4.06Å; E55-A137 PolarHBondContact OE2-N 2.77Å; E55-I138 HydrophobicContact CB-CG1 4.11Å
56	P	86.9	Confident	93.7	Very high	59 Å²	59	60 Å²	60	38%	0.383	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	134.8	173.5	-26.2	35.4	0	0	0	111.2	L58 I138	P56-L58 PolarHBondContact O-N 3.34Å; P56-L58 VanDerWaalsContact O-N 3.16Å; P56-I138 WeakPolarHBondContact O-CB 3.35Å; P56-I138 WeakPolarHBondContact O-CG1 3.39Å
57	L	91.8	Very high	93.6	Very high	103 Å²	103	62.8 Å²	62.8	54%	0.539	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	-7.2	-178.8	-50.2	174.5	0	0	0	116.8	E55 E59 E60 V61 I138	E55-L57 PolarHBondContact O-N 3.22Å; L57-E59 PolarHBondContact O-N 3.36Å; L57-E60 PolarHBondContact O-N 3.36Å; L57-V61 WeakPolarHBondContact O-CG2 3.37Å; L57-V61 PolarHBondContact O-N 2.84Å; L57-V61 VanDerWaalsContact O-N 3.14Å; L57-I138 HydrophobicContact CB-CG2 4.01Å
58	L	94.7	Very high	93.5	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-62.1	-44.5	-176.4	172.2	63.6	0	0	0	112.4	P19 W46 L51 I53 E55 P56 E60 V61 V62 I138	P19-L58 HydrophobicContact CB-CD1 4.39Å; P19-L58 HydrophobicContact CG-CD1 4.26Å; P19-L58 HydrophobicContact CG-CD2 4.38Å; W46-L58 HydrophobicContact CH2-CD1 4.25Å; W46-L58 HydrophobicContact CH2-CD2 3.96Å; W46-L58 HydrophobicContact CZ3-CD1 4.22Å; W46-L58 HydrophobicContact CZ3-CD2 4.27Å; L51-L58 HydrophobicContact CD1-CD2 4.09Å; L51-L58 HydrophobicContact CD1-CG 3.88Å; I53-L58 HydrophobicContact CD1-CD2 3.71Å; I53-L58 HydrophobicContact CG1-CD2 3.55Å; E55-L58 HydrophobicContact CB-CB 3.93Å; E55-L58 HydrophobicContact CB-CD2 4.29Å; E55-L58 WeakPolarHBondContact O-CB 3.25Å; E55-L58 PolarHBondContact O-N 3.01Å; E55-L58 VanDerWaalsContact O-N 3.13Å; P56-L58 PolarHBondContact O-N 3.34Å; P56-L58 VanDerWaalsContact O-N 3.16Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 2.88Å; L58-V61 PolarHBondContact O-N 2.93Å; L58-V62 HydrophobicContact CD1-CG2 3.75Å; L58-V62 HydrophobicContact CG-CG2 4.23Å; L58-V62 VanDerWaalsContact O-CG2 3.27Å; L58-V62 WeakPolarHBondContact O-CG2 3.38Å; L58-V62 PolarHBondContact O-N 3.07Å; L58-I138 HydrophobicContact CB-CD1 3.94Å; L58-I138 HydrophobicContact CB-CG1 3.86Å; L58-I138 HydrophobicContact CD1-CD1 3.73Å; L58-I138 HydrophobicContact CG-CD1 4.38Å
59	E	94.9	Very high	93.6	Very high	100 Å²	100	64.2 Å²	64.2	47%	0.467	33%	0.33	S	S	.	.	H	α-helix	trans	-59.5	-45.2	-179	-173.9	178.4	-179.8	0	0	111.8	L51 L57 V61 V62 Q63	L51-E59 HydrophobicContact CD1-CB 4.25Å; L57-E59 PolarHBondContact O-N 3.36Å; E59-V61 PolarHBondContact O-N 3.32Å; E59-V62 PolarHBondContact O-N 2.9Å; E59-Q63 HydrophobicContact CG-CG 4.44Å; E59-Q63 WeakPolarHBondContact O-CB 3.49Å; E59-Q63 WeakPolarHBondContact O-CG 3.44Å; E59-Q63 PolarHBondContact O-N 3.45Å; E59-Q63 PolarHBondContact OE1-NE2 3.14Å
60	E	95.6	Very high	93.9	Very high	91 Å²	91	58.6 Å²	58.6	43%	0.425	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-44.8	177.2	-173.3	-171.4	157.9	0	0	111.6	L57 L58 Q63 K64	L57-E60 PolarHBondContact O-N 3.36Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 2.88Å; E60-Q63 PolarHBondContact O-N 2.85Å; E60-K64 WeakPolarHBondContact O-CG 3.46Å; E60-K64 PolarHBondContact O-N 3.2Å; E60-K64 WeakPolarHBondContact OE1-CE 3.49Å; E60-K64 IonicContact OE1-NZ 2.71Å; E60-K64 PolarHBondContact OE1-NZ 3.03Å
61	V	97	Very high	94.2	Very high	8 Å²	8	56.8 Å²	56.8	5%	0.048	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-45.3	177.8	173.5	0	0	0	0	110.7	S22 V23 Y26 L57 L58 E59 K64 I138	S22-V61 WeakPolarHBondContact O-CG1 3.46Å; V23-V61 HydrophobicContact CG2-CG1 4.47Å; Y26-V61 HydrophobicContact CG-CG1 4.12Å; L57-V61 WeakPolarHBondContact O-CG2 3.37Å; L57-V61 PolarHBondContact O-N 2.84Å; L57-V61 VanDerWaalsContact O-N 3.14Å; L58-V61 PolarHBondContact O-N 2.93Å; E59-V61 PolarHBondContact O-N 3.32Å; V61-K64 PolarHBondContact O-N 2.92Å; V61-I138 HydrophobicContact CG2-CG2 4.23Å
62	V	98.3	Very high	94.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-47.6	179.4	172.9	0	0	0	0	110.9	S22 W46 L51 L58 E59 K64 C65 R66 L70 F72	S22-V62 WeakPolarHBondContact OG-CG2 3.36Å; W46-V62 HydrophobicContact CE3-CG2 4.36Å; W46-V62 HydrophobicContact CZ3-CG2 3.83Å; L51-V62 HydrophobicContact CD1-CB 4.38Å; L51-V62 HydrophobicContact CD1-CG2 4.06Å; L51-V62 HydrophobicContact CD2-CG1 4.26Å; L58-V62 HydrophobicContact CD1-CG2 3.75Å; L58-V62 HydrophobicContact CG-CG2 4.23Å; L58-V62 VanDerWaalsContact O-CG2 3.27Å; L58-V62 WeakPolarHBondContact O-CG2 3.38Å; L58-V62 PolarHBondContact O-N 3.07Å; E59-V62 PolarHBondContact O-N 2.9Å; V62-K64 VanDerWaalsContact C-N 3.29Å; V62-K64 PolarHBondContact O-N 3.11Å; V62-C65 PolarHBondContact O-N 3.27Å; V62-C65 VanDerWaalsContact O-N 3.15Å; V62-R66 HydrophobicContact CG1-CB 4.2Å; V62-R66 WeakPolarHBondContact O-CB 3.37Å; V62-R66 PolarHBondContact O-N 2.9Å; V62-L70 HydrophobicContact CG1-CD2 4.48Å; V62-F72 HydrophobicContact CG1-CE2 4.33Å
63	Q	96.8	Very high	94.7	Very high	101 Å²	101	56.2 Å²	56.2	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-35.3	-178	-75.7	176.5	-3.8	0	0	112.8	E59 E60 C65	E59-Q63 HydrophobicContact CG-CG 4.44Å; E59-Q63 WeakPolarHBondContact O-CB 3.49Å; E59-Q63 WeakPolarHBondContact O-CG 3.44Å; E59-Q63 PolarHBondContact O-N 3.45Å; E59-Q63 PolarHBondContact OE1-NE2 3.14Å; E60-Q63 PolarHBondContact O-N 2.85Å; Q63-C65 VanDerWaalsContact C-N 3.29Å; Q63-C65 PolarHBondContact O-N 3.16Å
64	K	96.7	Very high	95.2	Very high	103 Å²	103	57.7 Å²	57.7	45%	0.448	29%	0.291	S	S	.	.	H	α-helix	trans	-68.7	-24	177.9	-74.1	-179.3	-172.4	171.4	0	114.1	Y26 E60 V61 V62	Y26-K64 HydrophobicContact CD2-CB 4.33Å; Y26-K64 HydrophobicContact CD2-CD 4.34Å; Y26-K64 HydrophobicContact CE2-CB 4.35Å; Y26-K64 HydrophobicContact CE2-CD 3.57Å; E60-K64 WeakPolarHBondContact O-CG 3.46Å; E60-K64 PolarHBondContact O-N 3.2Å; E60-K64 WeakPolarHBondContact OE1-CE 3.49Å; E60-K64 IonicContact OE1-NZ 2.71Å; E60-K64 PolarHBondContact OE1-NZ 3.03Å; V61-K64 PolarHBondContact O-N 2.92Å; V62-K64 VanDerWaalsContact C-N 3.29Å; V62-K64 PolarHBondContact O-N 3.11Å
65	C	98	Very high	95.8	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.034	28%	0.275	C	S	.	.	H	α-helix	trans	-113.1	-28.8	-172.7	-58.2	0	0	0	0	113.6	A25 Y26 V62 Q63 G67 H68 N69 L70	A25-C65 HydrophobicContact CB-CB 4.05Å; Y26-C65 WeakPolarHBondContact CA-SG 3.46Å; Y26-C65 PolarHBondContact N-SG 3.13Å; V62-C65 PolarHBondContact O-N 3.27Å; V62-C65 VanDerWaalsContact O-N 3.15Å; Q63-C65 VanDerWaalsContact C-N 3.29Å; Q63-C65 PolarHBondContact O-N 3.16Å; C65-G67 PolarHBondContact O-N 3.15Å; C65-H68 PolarHBondContact O-N 3.27Å; C65-N69 WeakPolarHBondContact CB-OD1 3.25Å; C65-N69 PolarHBondContact O-N 2.69Å; C65-N69 VanDerWaalsContact O-N 3.11Å; C65-L70 HydrophobicContact CB-CB 3.67Å; C65-L70 HydrophobicContact CB-CD2 4.14Å; C65-L70 PolarHBondContact O-N 2.8Å
66	R	97.8	Very high	96	Very high	62 Å²	62	54.2 Å²	54.2	23%	0.234	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-60.9	128.2	-173.5	-177.9	172.8	66.2	-168.4	3.5	110.5	W46 S48 D49 V62 H68 L70	W46-R66 WeakPolarHBondContact O-CD 3.33Å; W46-R66 PolarHBondContact O-NH1 3.11Å; S48-R66 PolarHBondContact O-NH1 3.33Å; D49-R66 IonicContact OD1-NH2 2.81Å; D49-R66 PolarHBondContact OD1-NH2 2.64Å; V62-R66 HydrophobicContact CG1-CB 4.2Å; V62-R66 WeakPolarHBondContact O-CB 3.37Å; V62-R66 PolarHBondContact O-N 2.9Å; R66-H68 PolarHBondContact O-N 3.19Å; R66-L70 WeakPolarHBondContact CA-O 3.32Å
67	G	95.9	Very high	96.2	Very high	57 Å²	57	54.1 Å²	54.1	59%	0.588	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-11.9	-178.2	0	0	0	0	0	114.5	C65 L70	C65-G67 PolarHBondContact O-N 3.15Å; G67-L70 PolarHBondContact N-O 2.8Å
68	H	96.3	Very high	96.2	Very high	141 Å²	141	50.1 Å²	50.1	65%	0.653	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-67.6	172.7	-175.7	-155.9	0	0	0	110.8	C65 R66 F71	C65-H68 PolarHBondContact O-N 3.27Å; R66-H68 PolarHBondContact O-N 3.19Å; H68-F71 VanDerWaalsContact O-CZ 3.32Å; H68-F71 WeakPolarHBondContact O-CZ 3.38Å
69	N	97.5	Very high	96.1	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.048	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-6.1	177.8	75.6	-37.4	0	0	0	113.7	A25 C28 P29 I31 V33 C65	A25-N69 PolarHBondContact O-ND2 2.97Å; C28-N69 PolarHBondContact O-ND2 2.98Å; P29-N69 WeakPolarHBondContact CA-ND2 3.24Å; P29-N69 PolarHBondContact O-ND2 2.88Å; I31-N69 WeakPolarHBondContact O-CB 3.37Å; I31-N69 PolarHBondContact O-ND2 2.93Å; I31-N69 VanDerWaalsContact O-ND2 3.08Å; V33-N69 PolarHBondContact N-O 3.12Å; C65-N69 WeakPolarHBondContact CB-OD1 3.25Å; C65-N69 PolarHBondContact O-N 2.69Å; C65-N69 VanDerWaalsContact O-N 3.11Å
70	L	98.6	Very high	95.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.3	173.3	-179.9	66.5	0	0	0	111	A25 V33 V35 V62 C65 R66 G67 F72	A25-L70 HydrophobicContact CB-CB 3.83Å; A25-L70 HydrophobicContact CB-CD1 4.15Å; A25-L70 HydrophobicContact CB-CG 4.43Å; V33-L70 HydrophobicContact CB-CD1 4.17Å; V33-L70 HydrophobicContact CG1-CD1 4.11Å; V33-L70 WeakPolarHBondContact O-CA 3.3Å; V35-L70 HydrophobicContact CG2-CD1 4.04Å; V62-L70 HydrophobicContact CG1-CD2 4.48Å; C65-L70 HydrophobicContact CB-CB 3.67Å; C65-L70 HydrophobicContact CB-CD2 4.14Å; C65-L70 PolarHBondContact O-N 2.8Å; R66-L70 WeakPolarHBondContact CA-O 3.32Å; G67-L70 PolarHBondContact N-O 2.8Å; L70-F72 HydrophobicContact CD1-CE2 4.44Å; L70-F72 HydrophobicContact CD1-CZ 4.21Å; L70-F72 HydrophobicContact CD2-CE2 3.82Å; L70-F72 HydrophobicContact CD2-CZ 3.82Å; L70-F72 HydrophobicContact CG-CE2 3.81Å; L70-F72 HydrophobicContact CG-CZ 3.99Å
71	F	98.4	Very high	95.5	Very high	50 Å²	50	48.2 Å²	48.2	22%	0.219	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.1	-178.2	-57	-86.2	0	0	0	111.3	R32 V33 T34 V35 H68	R32-F71 HydrophobicContact CG-CD2 4.23Å; R32-F71 HydrophobicContact CG-CE2 4.13Å; R32-F71 VanDerWaalsContact NH1-CZ 3.32Å; V33-F71 PolarHBondContact O-N 3.21Å; T34-F71 CarbonylContact C-O 3.59Å; T34-F71 WeakPolarHBondContact CA-O 3.42Å; T34-F71 HydrophobicContact CG2-CB 4.41Å; V35-F71 PolarHBondContact N-O 3.45Å; H68-F71 VanDerWaalsContact O-CZ 3.32Å; H68-F71 WeakPolarHBondContact O-CZ 3.38Å
72	F	98.6	Very high	95.2	Very high	13 Å²	13	54.3 Å²	54.3	6%	0.057	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.7	176.8	-59.8	-91.2	0	0	0	110	V35 I43 W46 N47 V62 L70	V35-F72 HydrophobicContact CB-CD1 3.61Å; V35-F72 HydrophobicContact CB-CE1 3.82Å; V35-F72 HydrophobicContact CG1-CD1 4.17Å; V35-F72 HydrophobicContact CG1-CE1 4.25Å; V35-F72 HydrophobicContact CG2-CD1 4.08Å; V35-F72 HydrophobicContact CG2-CE1 3.8Å; V35-F72 VanDerWaalsContact O-CA 3.31Å; V35-F72 WeakPolarHBondContact O-CA 3.36Å; I43-F72 HydrophobicContact CD1-CB 4.3Å; I43-F72 HydrophobicContact CG2-CB 4.28Å; W46-F72 HydrophobicContact CB-CB 4.05Å; W46-F72 HydrophobicContact CB-CD1 3.46Å; W46-F72 VanDerWaalsContact CB-CD1 3.46Å; W46-F72 HydrophobicContact CB-CD2 3.91Å; W46-F72 HydrophobicContact CB-CE1 3.77Å; W46-F72 HydrophobicContact CB-CE2 4.18Å; W46-F72 HydrophobicContact CB-CG 3.54Å; W46-F72 HydrophobicContact CB-CZ 4.12Å; W46-F72 HydrophobicContact CD2-CD1 4.03Å; W46-F72 AromaticContact CD2-CE1 3.49Å; W46-F72 HydrophobicContact CD2-CE1 3.49Å; W46-F72 VanDerWaalsContact CD2-CE1 3.49Å; W46-F72 AromaticContact CD2-CZ 3.9Å; W46-F72 HydrophobicContact CD2-CZ 3.9Å; W46-F72 HydrophobicContact CE3-CD1 4.49Å; W46-F72 AromaticContact CE3-CE1 3.62Å; W46-F72 HydrophobicContact CE3-CE1 3.62Å; W46-F72 HydrophobicContact CE3-CE2 4.33Å; W46-F72 AromaticContact CE3-CZ 3.52Å; W46-F72 HydrophobicContact CE3-CZ 3.52Å; W46-F72 AromaticContact CG-CD1 3.56Å; W46-F72 HydrophobicContact CG-CD1 3.56Å; W46-F72 AromaticContact CG-CE1 3.57Å; W46-F72 HydrophobicContact CG-CE1 3.57Å; W46-F72 HydrophobicContact CG-CG 4.18Å; W46-F72 HydrophobicContact CG-CZ 4.17Å; W46-F72 HydrophobicContact CZ3-CE1 4.39Å; W46-F72 HydrophobicContact CZ3-CZ 4.22Å; N47-F72 PolarHBondContact ND2-O 3.16Å; N47-F72 VanDerWaalsContact ND2-O 3.14Å; V62-F72 HydrophobicContact CG1-CE2 4.33Å; L70-F72 HydrophobicContact CD1-CE2 4.44Å; L70-F72 HydrophobicContact CD1-CZ 4.21Å; L70-F72 HydrophobicContact CD2-CE2 3.82Å; L70-F72 HydrophobicContact CD2-CZ 3.82Å; L70-F72 HydrophobicContact CG-CE2 3.81Å; L70-F72 HydrophobicContact CG-CZ 3.99Å
73	S	98.2	Very high	94.9	Very high	38 Å²	38	55.3 Å²	55.3	27%	0.266	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.3	-174.7	-174.7	0	0	0	0	112.4	V35 V36 D37 I43 D75	V35-S73 PolarHBondContact O-N 3.09Å; V36-S73 WeakPolarHBondContact CA-O 3.36Å; D37-S73 PolarHBondContact N-O 3.49Å; I43-S73 WeakPolarHBondContact CD1-O 3.48Å; S73-D75 PolarHBondContact OG-N 3.17Å
74	T	97.3	Very high	94.7	Very high	67 Å²	67	54.9 Å²	54.9	41%	0.411	30%	0.296	S	S	.	.	S	Bend	trans	-94.7	-11.2	167.8	53.6	0	0	0	0	112.2	E40 I43 I76	E40-T74 HydrophobicContact CG-CG2 4.1Å; I43-T74 HydrophobicContact CB-CG2 4.05Å; I43-T74 HydrophobicContact CG1-CG2 3.9Å; I43-T74 HydrophobicContact CG2-CG2 4.18Å; T74-I76 PolarHBondContact O-N 2.9Å
75	D	95.7	Very high	94.6	Very high	78 Å²	78	51.5 Å²	51.5	42%	0.417	28%	0.282	S	S	.	.			trans	-80.6	84.5	179	-171.6	-8.3	0	0	0	111.3	S73 A77 A78 A79	S73-D75 PolarHBondContact OG-N 3.17Å; D75-A77 PolarHBondContact OD1-N 2.83Å; D75-A78 VanDerWaalsContact CG-CB 3.42Å; D75-A78 WeakPolarHBondContact OD1-CB 3.34Å; D75-A78 PolarHBondContact OD1-N 3.42Å; D75-A78 WeakPolarHBondContact OD2-CB 3.33Å; D75-A79 WeakPolarHBondContact O-CB 3.45Å; D75-A79 PolarHBondContact O-N 3.38Å
76	I	91	Very high	94.4	Very high	50 Å²	50	53.9 Å²	53.9	26%	0.256	29%	0.294	S	S	.	.	H	α-helix	trans	-65.5	-42.6	-179.2	-63.2	167.8	0	0	0	111.1	I11 V36 T74 A79 I80 L112	I11-I76 HydrophobicContact CD1-CG2 4.47Å; V36-I76 HydrophobicContact CB-CG1 3.94Å; V36-I76 HydrophobicContact CG2-CB 4.31Å; V36-I76 HydrophobicContact CG2-CG1 3.86Å; V36-I76 HydrophobicContact CG2-CG2 4.3Å; T74-I76 PolarHBondContact O-N 2.9Å; I76-A79 PolarHBondContact O-N 3.39Å; I76-I80 HydrophobicContact CG2-CD1 3.67Å; I76-I80 HydrophobicContact CG2-CG1 4.34Å; I76-I80 WeakPolarHBondContact O-CG1 2.98Å; I76-I80 PolarHBondContact O-N 3.39Å; I76-L112 HydrophobicContact CG2-CD2 4.5Å
77	A	91	Very high	94.3	Very high	58 Å²	58	51.8 Å²	51.8	48%	0.479	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-51	-174.9	0	0	0	0	0	111.1	D75 A79 I80 D81	D75-A77 PolarHBondContact OD1-N 2.83Å; A77-A79 VanDerWaalsContact C-N 3.25Å; A77-A79 PolarHBondContact O-N 3Å; A77-I80 PolarHBondContact O-N 3.04Å; A77-I80 VanDerWaalsContact O-N 3.15Å; A77-D81 PolarHBondContact O-N 3.29Å
78	A	91.5	Very high	94.1	Very high	18 Å²	18	51.9 Å²	51.9	15%	0.149	27%	0.273	C	S	.	.	H	α-helix	trans	-67.1	-27.7	-179.3	0	0	0	0	0	112.9	D75 R82	D75-A78 VanDerWaalsContact CG-CB 3.42Å; D75-A78 WeakPolarHBondContact OD1-CB 3.34Å; D75-A78 PolarHBondContact OD1-N 3.42Å; D75-A78 WeakPolarHBondContact OD2-CB 3.33Å; A78-R82 WeakPolarHBondContact O-CG 3.4Å; A78-R82 PolarHBondContact O-N 3.27Å; A78-R82 PolarHBondContact O-NE 3.5Å; A78-R82 PolarHBondContact O-NH1 3.15Å; A78-R82 PolarHBondContact O-NH2 3.39Å
79	A	92.1	Very high	93.9	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-72.1	-38.3	174.4	0	0	0	0	0	112.2	T34 V36 D75 I76 A77 A83	T34-A79 HydrophobicContact CG2-CB 3.93Å; V36-A79 HydrophobicContact CG1-CB 3.49Å; V36-A79 VanDerWaalsContact CG1-CB 3.49Å; D75-A79 WeakPolarHBondContact O-CB 3.45Å; D75-A79 PolarHBondContact O-N 3.38Å; I76-A79 PolarHBondContact O-N 3.39Å; A77-A79 VanDerWaalsContact C-N 3.25Å; A77-A79 PolarHBondContact O-N 3Å; A79-A83 WeakPolarHBondContact O-CB 3.28Å; A79-A83 PolarHBondContact O-N 3.14Å
80	I	90.4	Very high	93.2	Very high	35 Å²	35	48.1 Å²	48.1	18%	0.179	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-46.6	174.2	-71.8	171	0	0	0	110.6	I11 I76 A77 R82 A83 I86 L112	I11-I80 HydrophobicContact CD1-CD1 3.87Å; I11-I80 HydrophobicContact CD1-CG1 4.18Å; I76-I80 HydrophobicContact CG2-CD1 3.67Å; I76-I80 HydrophobicContact CG2-CG1 4.34Å; I76-I80 WeakPolarHBondContact O-CG1 2.98Å; I76-I80 PolarHBondContact O-N 3.39Å; A77-I80 PolarHBondContact O-N 3.04Å; A77-I80 VanDerWaalsContact O-N 3.15Å; I80-R82 PolarHBondContact O-N 3.37Å; I80-R82 VanDerWaalsContact O-N 3.13Å; I80-A83 PolarHBondContact O-N 3.11Å; I80-I86 HydrophobicContact CB-CD1 4.44Å; I80-I86 HydrophobicContact CG1-CD1 4.32Å; I80-I86 HydrophobicContact CG2-CD1 3.87Å; I80-L112 HydrophobicContact CD1-CD2 4.29Å
81	D	88.9	Confident	91.9	Very high	115 Å²	115	53.4 Å²	53.4	62%	0.615	30%	0.298	S	S	*	.	H	α-helix	trans	-61.2	-25.6	-177.3	-70.6	-18.1	0	0	0	113.5	A77	A77-D81 PolarHBondContact O-N 3.29Å
82	R	89.4	Confident	90.4	Very high	137 Å²	137	54.1 Å²	54.1	52%	0.517	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.4	179.8	-70.5	-172.3	-64.8	-97.6	-3.9	114.2	A78 I80	A78-R82 WeakPolarHBondContact O-CG 3.4Å; A78-R82 PolarHBondContact O-N 3.27Å; A78-R82 PolarHBondContact O-NE 3.5Å; A78-R82 PolarHBondContact O-NH1 3.15Å; A78-R82 PolarHBondContact O-NH2 3.39Å; I80-R82 PolarHBondContact O-N 3.37Å; I80-R82 VanDerWaalsContact O-N 3.13Å
83	A	92.4	Very high	88.4	Confident	22 Å²	22	57.3 Å²	57.3	18%	0.182	33%	0.329	C	S	.	.			trans	-105.8	132.2	-170	0	0	0	0	0	112.7	C9 A79 I80 I86	C9-A83 HydrophobicContact CB-CB 3.47Å; C9-A83 VanDerWaalsContact CB-CB 3.47Å; A79-A83 WeakPolarHBondContact O-CB 3.28Å; A79-A83 PolarHBondContact O-N 3.14Å; I80-A83 PolarHBondContact O-N 3.11Å; A83-I86 HydrophobicContact CB-CG1 4.07Å
84	E	92.4	Very high	86.4	Confident	92 Å²	92	58.8 Å²	58.8	43%	0.43	34%	0.336	S	S	.	.	S	Bend	trans	-86.2	-21.4	171.2	-68.5	81.8	167.4	0	0	111.4	F6 G7	F6-E84 HydrophobicContact CD2-CB 3.88Å; F6-E84 HydrophobicContact CD2-CG 4.18Å; F6-E84 HydrophobicContact CE1-CB 4.19Å; F6-E84 HydrophobicContact CE2-CB 3.44Å; F6-E84 VanDerWaalsContact CE2-CB 3.44Å; F6-E84 HydrophobicContact CE2-CG 4.13Å; F6-E84 HydrophobicContact CG-CB 4.43Å; F6-E84 HydrophobicContact CZ-CB 3.62Å; G7-E84 WeakPolarHBondContact CA-OE2 3.39Å; G7-E84 PolarHBondContact N-OE2 3.47Å; G7-E84 PolarHBondContact O-N 3Å
85	L	95	Very high	84.3	Confident	31 Å²	31	59.3 Å²	59.3	16%	0.162	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.1	173.8	178.7	68.1	0	0	0	111	F6 G7 V8 C9 F87 L164 I167	F6-L85 HydrophobicContact CE1-CB 3.88Å; F6-L85 HydrophobicContact CZ-CB 4.08Å; G7-L85 PolarHBondContact O-N 2.79Å; V8-L85 CarbonylContact C-O 3.39Å; V8-L85 WeakPolarHBondContact CA-O 3.45Å; V8-L85 HydrophobicContact CG2-CB 4.31Å; V8-L85 HydrophobicContact CG2-CD2 4.3Å; C9-L85 PolarHBondContact N-O 3.41Å; L85-F87 HydrophobicContact CD2-CD2 4.24Å; L85-F87 HydrophobicContact CD2-CE2 3.49Å; L85-F87 VanDerWaalsContact CD2-CE2 3.49Å; L85-F87 HydrophobicContact CD2-CZ 4.03Å; L85-F87 HydrophobicContact CG-CD2 4.36Å; L85-F87 HydrophobicContact CG-CE2 4.08Å; L85-L164 HydrophobicContact CD2-CD1 3.87Å; L85-I167 HydrophobicContact CD2-CD1 3.44Å; L85-I167 VanDerWaalsContact CD2-CD1 3.44Å
86	I	94.8	Very high	81.9	Confident	55 Å²	55	61.3 Å²	61.3	28%	0.282	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113.3	-179.1	-54.3	169.5	0	0	0	109.7	C9 I11 I80 A83 I88	C9-I86 HydrophobicContact CB-CG1 4.31Å; C9-I86 HydrophobicContact CB-CG2 4.5Å; C9-I86 CarbonylContact O-C 3.55Å; C9-I86 VanDerWaalsContact O-CA 3.29Å; C9-I86 WeakPolarHBondContact O-CA 3.5Å; I11-I86 HydrophobicContact CD1-CG2 3.83Å; I11-I86 HydrophobicContact CG1-CG2 4.1Å; I80-I86 HydrophobicContact CB-CD1 4.44Å; I80-I86 HydrophobicContact CG1-CD1 4.32Å; I80-I86 HydrophobicContact CG2-CD1 3.87Å; A83-I86 HydrophobicContact CB-CG1 4.07Å; I86-I88 HydrophobicContact CG2-CG1 4.37Å
87	F	95.2	Very high	79.4	Confident	18 Å²	18	68 Å²	68	8%	0.079	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.5	167	-74.1	-93.7	0	0	0	110.2	V8 C9 C10 I11 I24 L85 L164	V8-F87 HydrophobicContact CG1-CD2 3.6Å; V8-F87 HydrophobicContact CG1-CE2 3.74Å; C9-F87 PolarHBondContact O-N 3.3Å; C10-F87 CarbonylContact C-O 3.57Å; C10-F87 WeakPolarHBondContact CA-O 3.46Å; C10-F87 HydrophobicContact CB-CB 4.17Å; I11-F87 PolarHBondContact N-O 3.06Å; I24-F87 HydrophobicContact CD1-CE2 3.8Å; I24-F87 HydrophobicContact CD1-CZ 3.77Å; L85-F87 HydrophobicContact CD2-CD2 4.24Å; L85-F87 HydrophobicContact CD2-CE2 3.49Å; L85-F87 VanDerWaalsContact CD2-CE2 3.49Å; L85-F87 HydrophobicContact CD2-CZ 4.03Å; L85-F87 HydrophobicContact CG-CD2 4.36Å; L85-F87 HydrophobicContact CG-CE2 4.08Å; F87-L164 HydrophobicContact CE1-CD1 4.13Å; F87-L164 HydrophobicContact CE2-CD1 4.36Å; F87-L164 HydrophobicContact CZ-CD1 3.51Å
88	I	92.1	Very high	76.8	Confident	60 Å²	60	66.7 Å²	66.7	31%	0.308	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	97	173.6	-58.4	175.4	0	0	0	108	I86 V90 Y107 I108 L112	I86-I88 HydrophobicContact CG2-CG1 4.37Å; I88-V90 HydrophobicContact CG2-CG1 4.26Å; I88-V90 HydrophobicContact CG2-CG2 3.89Å; I88-Y107 HydrophobicContact CG2-CD1 4.2Å; I88-Y107 HydrophobicContact CG2-CE1 4.01Å; I88-I108 HydrophobicContact CD1-CD1 3.65Å; I88-I108 HydrophobicContact CD1-CG1 3.32Å; I88-L112 HydrophobicContact CD1-CD1 3.7Å; I88-L112 HydrophobicContact CG1-CD1 4.28Å
89	S	91.2	Very high	74.1	Confident	22 Å²	22	73.7 Å²	73.7	15%	0.154	39%	0.391	C	S	.	.			trans	-108.5	46.7	-173.6	-61.6	0	0	0	0	111.4	C10 I11 G17	C10-S89 PolarHBondContact SG-OG 3.18Å; I11-S89 CarbonylContact O-C 3.55Å; I11-S89 WeakPolarHBondContact O-CA 3.34Å; I11-S89 PolarHBondContact O-N 3.35Å; G17-S89 VanDerWaalsContact CA-CB 3.42Å
90	V	83.5	Confident	71.9	Confident	49 Å²	49	75.5 Å²	75.5	30%	0.297	41%	0.41	S	S	.	.			trans	-92	160.5	-179.9	-58.5	0	0	0	0	111.6	I11 I88 T92 Y107	I11-V90 HydrophobicContact CG2-CG1 4.39Å; I88-V90 HydrophobicContact CG2-CG1 4.26Å; I88-V90 HydrophobicContact CG2-CG2 3.89Å; V90-T92 PolarHBondContact O-N 3.35Å; V90-Y107 HydrophobicContact CG2-CE1 4.2Å
91	S	71.1	Confident	69.3	Low	111 Å²	111	81.8 Å²	81.8	78%	0.776	44%	0.436	S	S	*	.			trans	-59.5	139.6	178.7	-66.8	0	0	0	0	111.7	P93	S91-P93 WeakPolarHBondContact O-CD 3.36Å
92	T	65.8	Low	67.1	Low	64 Å²	64	77.9 Å²	77.9	39%	0.393	42%	0.416	S	S	.	.			trans	-91.9	100.9	178.2	-68.8	0	0	0	0	110.1	V90 R103 K248	V90-T92 PolarHBondContact O-N 3.35Å; T92-R103 VanDerWaalsContact CA-CZ 3.5Å; T92-R103 VanDerWaalsContact CA-NH2 3.3Å; T92-R103 VanDerWaalsContact CG2-CZ 3.47Å; T92-R103 PolarHBondContact OG1-NH1 2.93Å; T92-K248 HydrophobicContact CG2-CD 4.18Å; T92-K248 VanDerWaalsContact O-CD 3.26Å; T92-K248 WeakPolarHBondContact O-CD 3.33Å
93	P	58	Low	65.2	Low	81 Å²	81	75.8 Å²	75.8	53%	0.526	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-58.8	142.4	171.3	21.9	-34.2	0	0	0	112.2	S91 K95 R103	S91-P93 WeakPolarHBondContact O-CD 3.36Å; P93-K95 PolarHBondContact O-N 3.04Å; P93-R103 VanDerWaalsContact CD-CZ 3.42Å; P93-R103 PolarHBondContact O-NH2 3.45Å
94	T	54.7	Low	63	Low	68 Å²	68	75.7 Å²	75.7	42%	0.417	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-61.3	126.4	163.3	-42.1	0	0	0	0	107.8	K248	T94-K248 HydrophobicContact CG2-CG 4.35Å
95	K	53.3	Low	60.8	Low	79 Å²	79	77.7 Å²	77.7	34%	0.343	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-75.4	131.3	170.1	-80	-169.5	174.4	-174.9	0	108.2	P93 G98 G100 N252	P93-K95 PolarHBondContact O-N 3.04Å; K95-G98 PolarHBondContact NZ-O 2.77Å; K95-G100 PolarHBondContact NZ-O 2.66Å; K95-N252 PolarHBondContact N-OD1 2.74Å
96	T	46.4	Very low	58.5	Low	119 Å²	119	82.5 Å²	82.5	73%	0.73	43%	0.433	S	S	*	.	S	Bend	trans	-104.9	-7.6	164.3	52.3	0	0	0	0	111.9
97	Y	38.5	Very low	56.4	Low	190 Å²	190	83.8 Å²	83.8	75%	0.745	44%	0.435	S	S	*	.	S	Bend	trans	-160.5	157.5	176.8	60.3	-87	0	0	0	112.3
98	G	35.7	Very low	54.2	Low	32 Å²	32	84.3 Å²	84.3	33%	0.33	44%	0.438	S	S	.	.			trans	109.5	109.4	164.2	0	0	0	0	0	116.1	K95 Y255	K95-G98 PolarHBondContact NZ-O 2.77Å; G98-Y255 WeakPolarHBondContact CA-OH 3.25Å; G98-Y255 PolarHBondContact N-OH 3.43Å; G98-Y255 PolarHBondContact O-OH 3.26Å
99	F	36	Very low	52.1	Low	165 Å²	165	86.2 Å²	86.2	72%	0.724	45%	0.445	S	S	*	.			trans	-53.9	134.4	156.1	-84.2	-91.2	0	0	0	109.4	Y255 S259	F99-Y255 PolarHBondContact N-OH 2.84Å; F99-S259 WeakPolarHBondContact CE1-O 3.36Å; F99-S259 WeakPolarHBondContact CZ-O 3.43Å
100	G	44.3	Very low	50	Low	40 Å²	40	91.2 Å²	91.2	41%	0.412	47%	0.471	S	S	.	.			trans	150	118.3	160.9	0	0	0	0	0	114.9	K95	K95-G100 PolarHBondContact NZ-O 2.66Å
101	K	36.2	Very low	48.3	Very low	167 Å²	167	92.4 Å²	92.4	73%	0.726	48%	0.481	S	S	*	.	S	Bend		22.3	105.3	129	-69.8	-177.6	174.9	-178.2	0	114
102	V	44.3	Very low	47.3	Very low	34 Å²	34	88.5 Å²	88.5	21%	0.206	45%	0.451	C	S	.	.			trans	44.4	102.5	144	-164.9	0	0	0	0	114	G104 V125 T182	V102-G104 PolarHBondContact O-N 3.34Å; V102-V125 HydrophobicContact CG1-CG1 4.46Å; V102-T182 HydrophobicContact CG1-CG2 4.46Å; V102-T182 HydrophobicContact CG2-CG2 4.25Å
103	R	47.6	Very low	46.4	Very low	92 Å²	92	88 Å²	88	35%	0.347	45%	0.446	S	S	.	.	H	α-helix	trans	-51	-41.2	171.5	-105.1	-158.9	-161	140.7	13.6	112.8	T92 P93 R105 Y107	T92-R103 VanDerWaalsContact CA-CZ 3.5Å; T92-R103 VanDerWaalsContact CA-NH2 3.3Å; T92-R103 VanDerWaalsContact CG2-CZ 3.47Å; T92-R103 PolarHBondContact OG1-NH1 2.93Å; P93-R103 VanDerWaalsContact CD-CZ 3.42Å; P93-R103 PolarHBondContact O-NH2 3.45Å; R103-R105 PolarHBondContact O-N 3.01Å; R103-Y107 WeakPolarHBondContact O-CA 3.45Å; R103-Y107 WeakPolarHBondContact O-CB 3.37Å; R103-Y107 PolarHBondContact O-N 3.44Å
104	G	47	Very low	45.8	Very low	21 Å²	21	88.2 Å²	88.2	22%	0.216	45%	0.447	C	S	.	.	H	α-helix	trans	-50.4	-57.9	-173.6	0	0	0	0	0	111.7	V102 Y107 I108	V102-G104 PolarHBondContact O-N 3.34Å; G104-Y107 PolarHBondContact O-N 2.99Å; G104-I108 VanDerWaalsContact O-CB 3.27Å; G104-I108 WeakPolarHBondContact O-CB 3.29Å; G104-I108 WeakPolarHBondContact O-CD1 3.37Å; G104-I108 WeakPolarHBondContact O-CG1 3.5Å; G104-I108 PolarHBondContact O-N 3.35Å
105	R	46.1	Very low	45.4	Very low	134 Å²	134	90.1 Å²	90.1	51%	0.506	46%	0.464	S	S	.	.	H	α-helix	trans	-66.2	-52.5	-172.4	-163.9	170.2	-174.3	151.7	5.8	113.4	R103 Y107 I108 E109 V125 E152	R103-R105 PolarHBondContact O-N 3.01Å; R105-Y107 PolarHBondContact O-N 3.26Å; R105-I108 PolarHBondContact O-N 3.08Å; R105-E109 WeakPolarHBondContact CG-OE1 3.1Å; R105-E109 IonicContact NE-OE1 2.74Å; R105-E109 PolarHBondContact NE-OE1 3.11Å; R105-E109 WeakPolarHBondContact O-CB 3.27Å; R105-E109 VanDerWaalsContact O-CG 3.27Å; R105-E109 WeakPolarHBondContact O-CG 3.05Å; R105-E109 PolarHBondContact O-N 2.85Å; R105-V125 HydrophobicContact CB-CG2 4.49Å; R105-E152 IonicContact NH1-OE1 3.8Å
106	K	47.3	Very low	45	Very low	131 Å²	131	95.7 Å²	95.7	57%	0.57	49%	0.488	S	S	*	.	H	α-helix	trans	-66.7	-35	178.9	-89.6	-173.1	175.7	-177.6	0	113.1	N110	K106-N110 WeakPolarHBondContact O-CB 3.42Å; K106-N110 VanDerWaalsContact O-CG 3.23Å; K106-N110 PolarHBondContact O-N 3.49Å; K106-N110 PolarHBondContact O-ND2 2.9Å
107	Y	50.2	Low	45.1	Very low	83 Å²	83	94.2 Å²	94.2	33%	0.325	47%	0.473	S	S	.	.	H	α-helix	trans	-68.7	-41.7	176.1	-175.9	-94.3	0	0	0	111	I88 V90 R103 G104 R105 S111 L112	I88-Y107 HydrophobicContact CG2-CD1 4.2Å; I88-Y107 HydrophobicContact CG2-CE1 4.01Å; V90-Y107 HydrophobicContact CG2-CE1 4.2Å; R103-Y107 WeakPolarHBondContact O-CA 3.45Å; R103-Y107 WeakPolarHBondContact O-CB 3.37Å; R103-Y107 PolarHBondContact O-N 3.44Å; G104-Y107 PolarHBondContact O-N 2.99Å; R105-Y107 PolarHBondContact O-N 3.26Å; Y107-S111 WeakPolarHBondContact O-CA 3.47Å; Y107-S111 WeakPolarHBondContact O-CB 3.1Å; Y107-S111 PolarHBondContact O-N 2.8Å; Y107-S111 PolarHBondContact O-OG 3.24Å; Y107-L112 HydrophobicContact CD1-CD1 4.36Å; Y107-L112 HydrophobicContact CE1-CD1 4.28Å; Y107-L112 HydrophobicContact CE1-CG 4.46Å
108	I	49.3	Very low	45.3	Very low	29 Å²	29	95.2 Å²	95.2	15%	0.149	48%	0.475	C	S	.	.	I	π-helix	trans	-60.9	-52.4	173.7	-68.3	162	0	0	0	110.2	I88 G104 R105 N110 L112 L113 V125	I88-I108 HydrophobicContact CD1-CD1 3.65Å; I88-I108 HydrophobicContact CD1-CG1 3.32Å; G104-I108 VanDerWaalsContact O-CB 3.27Å; G104-I108 WeakPolarHBondContact O-CB 3.29Å; G104-I108 WeakPolarHBondContact O-CD1 3.37Å; G104-I108 WeakPolarHBondContact O-CG1 3.5Å; G104-I108 PolarHBondContact O-N 3.35Å; R105-I108 PolarHBondContact O-N 3.08Å; I108-N110 PolarHBondContact O-N 3.48Å; I108-L112 HydrophobicContact CG1-CD1 4.1Å; I108-L112 PolarHBondContact O-N 3.49Å; I108-L112 VanDerWaalsContact O-N 3.08Å; I108-L113 HydrophobicContact CG2-CD1 4.2Å; I108-L113 HydrophobicContact CG2-CG 4.47Å; I108-L113 PolarHBondContact O-N 3.44Å; I108-V125 HydrophobicContact CD1-CG2 3.97Å
109	E	47.1	Very low	45.7	Very low	99 Å²	99	99 Å²	99	46%	0.463	49%	0.486	S	S	.	.	I	π-helix	trans	-61.4	-40.2	-177.8	-74.6	171.5	-177.8	0	0	112.7	R105	R105-E109 WeakPolarHBondContact CG-OE1 3.1Å; R105-E109 IonicContact NE-OE1 2.74Å; R105-E109 PolarHBondContact NE-OE1 3.11Å; R105-E109 WeakPolarHBondContact O-CB 3.27Å; R105-E109 VanDerWaalsContact O-CG 3.27Å; R105-E109 WeakPolarHBondContact O-CG 3.05Å; R105-E109 PolarHBondContact O-N 2.85Å
110	N	47.9	Very low	46.1	Very low	128 Å²	128	99.6 Å²	99.6	68%	0.684	50%	0.496	S	S	*	.	I	π-helix	trans	-93.1	-26.9	-174.7	-65.4	-29.1	0	0	0	114.3	K106 I108	K106-N110 WeakPolarHBondContact O-CB 3.42Å; K106-N110 VanDerWaalsContact O-CG 3.23Å; K106-N110 PolarHBondContact O-N 3.49Å; K106-N110 PolarHBondContact O-ND2 2.9Å; I108-N110 PolarHBondContact O-N 3.48Å
111	S	48.6	Very low	46.6	Very low	73 Å²	73	102.1 Å²	102.1	51%	0.51	50%	0.499	S	S	.	.	I	π-helix	trans	-116.3	-23.7	-169.3	-53.4	0	0	0	0	114.6	Y107	Y107-S111 WeakPolarHBondContact O-CA 3.47Å; Y107-S111 WeakPolarHBondContact O-CB 3.1Å; Y107-S111 PolarHBondContact O-N 2.8Å; Y107-S111 PolarHBondContact O-OG 3.24Å
112	L	48.9	Very low	48.3	Very low	29 Å²	29	100.5 Å²	100.5	15%	0.152	50%	0.498	C	S	.	.	I	π-helix	trans	-108.9	-22.5	-175.7	-71.7	169	0	0	0	114.1	I11 I76 I80 I88 Y107 I108 P114	I11-L112 HydrophobicContact CD1-CD1 3.73Å; I11-L112 HydrophobicContact CD1-CD2 3.56Å; I11-L112 HydrophobicContact CD1-CG 4.3Å; I76-L112 HydrophobicContact CG2-CD2 4.5Å; I80-L112 HydrophobicContact CD1-CD2 4.29Å; I88-L112 HydrophobicContact CD1-CD1 3.7Å; I88-L112 HydrophobicContact CG1-CD1 4.28Å; Y107-L112 HydrophobicContact CD1-CD1 4.36Å; Y107-L112 HydrophobicContact CE1-CD1 4.28Å; Y107-L112 HydrophobicContact CE1-CG 4.46Å; I108-L112 HydrophobicContact CG1-CD1 4.1Å; I108-L112 PolarHBondContact O-N 3.49Å; I108-L112 VanDerWaalsContact O-N 3.08Å; L112-P114 VanDerWaalsContact C-CD 3.48Å; L112-P114 WeakPolarHBondContact O-CD 3.2Å
113	L	48	Very low	50.2	Low	53 Å²	53	102.6 Å²	102.6	28%	0.277	51%	0.508	S	S	.	.			trans	-107.2	83.5	179.1	-63.1	173.2	0	0	0	110.2	I108 S115	I108-L113 HydrophobicContact CG2-CD1 4.2Å; I108-L113 HydrophobicContact CG2-CG 4.47Å; I108-L113 PolarHBondContact O-N 3.44Å; L113-S115 PolarHBondContact O-N 3.02Å
114	P	44.8	Very low	52.3	Low	86 Å²	86	100.6 Å²	100.6	56%	0.558	50%	0.503	S	S	*	.			trans	-55	136.6	164.7	23.1	-29.2	0	0	0	108.1	L112 K116 H117	L112-P114 VanDerWaalsContact C-CD 3.48Å; L112-P114 WeakPolarHBondContact O-CD 3.2Å; P114-K116 PolarHBondContact O-N 3.21Å; P114-H117 PolarHBondContact O-N 3.34Å
115	S	45.8	Very low	54.4	Low	109 Å²	109	101.3 Å²	101.3	76%	0.762	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-49.8	-11.5	-166.4	31.2	0	0	0	0	117.2	L113	L113-S115 PolarHBondContact O-N 3.02Å
116	K	44.7	Very low	56.7	Low	196 Å²	196	96.8 Å²	96.8	85%	0.852	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-78.8	-21.1	172.1	-74.7	-171	175	-177	0	114.6	P114	P114-K116 PolarHBondContact O-N 3.21Å
117	H	48.3	Very low	58.9	Low	88 Å²	88	91.3 Å²	91.3	41%	0.407	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-107.7	32.2	177	-65.9	91.5	0	0	0	112.1	P114 I119	P114-H117 PolarHBondContact O-N 3.34Å; H117-I119 PolarHBondContact O-N 3.35Å
118	R	43.2	Very low	61.1	Low	211 Å²	211	89.4 Å²	89.4	80%	0.796	46%	0.462	S	S	*	.			trans	-68.7	36.1	165.1	-121.4	-174.9	-175.1	-169.5	1.1	111.5	L120	R118-L120 PolarHBondContact O-N 2.94Å; R118-L120 VanDerWaalsContact O-N 3.08Å
119	I	44.9	Very low	63.2	Low	110 Å²	110	89 Å²	89	56%	0.564	46%	0.462	S	S	*	.			trans	-53	119.5	157.5	-58.2	176.6	0	0	0	103.2	H117 I121	H117-I119 PolarHBondContact O-N 3.35Å; I119-I121 HydrophobicContact CB-CD1 4.26Å; I119-I121 HydrophobicContact CB-CG1 3.77Å; I119-I121 HydrophobicContact CG2-CD1 4.25Å; I119-I121 HydrophobicContact CG2-CG1 3.45Å; I119-I121 VanDerWaalsContact CG2-CG1 3.45Å; I119-I121 PolarHBondContact O-N 2.92Å
120	L	44	Very low	65.3	Low	179 Å²	179	86.8 Å²	86.8	94%	0.937	45%	0.451	S	S	*	.			trans	-63.1	69.6	169.2	-107.3	107.7	0	0	0	107	R118 D122	R118-L120 PolarHBondContact O-N 2.94Å; R118-L120 VanDerWaalsContact O-N 3.08Å; L120-D122 PolarHBondContact O-N 3.14Å
121	I	55	Low	67.5	Low	93 Å²	93	82.5 Å²	82.5	48%	0.477	43%	0.426	S	S	.	.			trans	-78.1	115	170.5	-49.1	175.5	0	0	0	103.6	I119 L123	I119-I121 HydrophobicContact CB-CD1 4.26Å; I119-I121 HydrophobicContact CB-CG1 3.77Å; I119-I121 HydrophobicContact CG2-CD1 4.25Å; I119-I121 HydrophobicContact CG2-CG1 3.45Å; I119-I121 VanDerWaalsContact CG2-CG1 3.45Å; I119-I121 PolarHBondContact O-N 2.92Å; I121-L123 HydrophobicContact CB-CD1 4.39Å; I121-L123 HydrophobicContact CB-CD2 4.36Å; I121-L123 HydrophobicContact CB-CG 3.92Å; I121-L123 HydrophobicContact CG2-CD1 4.42Å; I121-L123 HydrophobicContact CG2-CD2 3.54Å; I121-L123 HydrophobicContact CG2-CG 3.62Å; I121-L123 PolarHBondContact O-N 2.88Å
122	D	72.2	Confident	69.5	Low	132 Å²	132	80.2 Å²	80.2	71%	0.706	41%	0.408	S	S	*	.			trans	-70	74.7	174.5	-167.3	12.6	0	0	0	108.9	L120	L120-D122 PolarHBondContact O-N 3.14Å
123	L	82.9	Confident	71.4	Confident	78 Å²	78	80.2 Å²	80.2	41%	0.408	41%	0.413	S	S	.	.			trans	-84.1	122.2	-177.2	-70.6	175.6	0	0	0	109.8	I121	I121-L123 HydrophobicContact CB-CD1 4.39Å; I121-L123 HydrophobicContact CB-CD2 4.36Å; I121-L123 HydrophobicContact CB-CG 3.92Å; I121-L123 HydrophobicContact CG2-CD1 4.42Å; I121-L123 HydrophobicContact CG2-CD2 3.54Å; I121-L123 HydrophobicContact CG2-CG 3.62Å; I121-L123 PolarHBondContact O-N 2.88Å
124	Q	91.3	Very high	73.1	Confident	51 Å²	51	79 Å²	79	24%	0.238	41%	0.405	C	S	.	.			trans	-81.3	131.8	166.9	-62.9	-59	-40.7	0	0	109.7	E156 A160	Q124-E156 HydrophobicContact CG-CB 4.11Å; Q124-A160 HydrophobicContact CB-CB 3.41Å; Q124-A160 VanDerWaalsContact CB-CB 3.41Å; Q124-A160 HydrophobicContact CG-CB 3.93Å
125	V	90.9	Very high	75	Confident	35 Å²	35	75.7 Å²	75.7	21%	0.212	39%	0.388	C	S	.	.			trans	-105.8	122.9	-179.7	-179.7	0	0	0	0	109.2	V102 R105 I108	V102-V125 HydrophobicContact CG1-CG1 4.46Å; R105-V125 HydrophobicContact CB-CG2 4.49Å; I108-V125 HydrophobicContact CD1-CG2 3.97Å
126	L	95	Very high	77	Confident	40 Å²	40	72.9 Å²	72.9	21%	0.209	37%	0.366	C	S	.	.			trans	-107.1	142.8	177.9	-57.3	175.8	0	0	0	111.3	I149 G150 A160 A161 L164	L126-I149 HydrophobicContact CD1-CG2 4.25Å; L126-G150 CarbonylContact C-O 3.57Å; L126-G150 VanDerWaalsContact CA-O 3.22Å; L126-G150 WeakPolarHBondContact CA-O 3.31Å; L126-A160 HydrophobicContact CD1-CB 4.41Å; L126-A160 WeakPolarHBondContact CD1-O 3.38Å; L126-A160 HydrophobicContact CD2-CB 4.26Å; L126-A160 HydrophobicContact CG-CB 4.5Å; L126-A161 HydrophobicContact CD2-CB 4.12Å; L126-L164 HydrophobicContact CD1-CB 3.96Å; L126-L164 HydrophobicContact CD1-CD2 3.93Å
127	S	94.6	Very high	79.3	Confident	16 Å²	16	63.6 Å²	63.6	11%	0.112	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-91.6	108.6	165.1	174.3	0	0	0	0	109.5	P129 G150 S185 E186	S127-P129 WeakPolarHBondContact O-CD 3.4Å; S127-G150 PolarHBondContact N-O 3.46Å; S127-G150 PolarHBondContact O-N 3.22Å; S127-S185 WeakPolarHBondContact CB-OG 3.38Å; S127-S185 PolarHBondContact O-OG 3.17Å; S127-S185 PolarHBondContact OG-OG 2.82Å; S127-E186 WeakPolarHBondContact OG-CG 3.44Å
128	N	96.2	Very high	81.5	Confident	42 Å²	42	59.4 Å²	59.4	23%	0.225	31%	0.306	C	S	.	.			trans	-120.1	81.4	174.7	175.6	-126.1	0	0	0	109.8	L148 L164 Y168	N128-L148 WeakPolarHBondContact CA-O 3.2Å; N128-L148 PolarHBondContact ND2-O 3.34Å; N128-L164 HydrophobicContact CB-CD2 3.99Å; N128-Y168 PolarHBondContact OD1-OH 2.78Å
129	P	93.4	Very high	83.9	Confident	22 Å²	22	54.7 Å²	54.7	14%	0.143	29%	0.293	C	S	.	.			trans	-68.8	137.6	-177.1	27.8	-34.7	0	0	0	111.2	S127 F131 L148 S185 K189	S127-P129 WeakPolarHBondContact O-CD 3.4Å; P129-F131 HydrophobicContact CB-CE2 4.39Å; P129-F131 HydrophobicContact CB-CZ 4.4Å; P129-F131 HydrophobicContact CG-CE2 4.1Å; P129-F131 HydrophobicContact CG-CZ 4.21Å; P129-L148 HydrophobicContact CG-CB 3.88Å; P129-L148 HydrophobicContact CG-CD1 3.99Å; P129-L148 HydrophobicContact CG-CG 4.33Å; P129-S185 VanDerWaalsContact CD-OG 3.24Å; P129-S185 WeakPolarHBondContact CD-OG 3.14Å; P129-K189 HydrophobicContact CB-CB 3.76Å; P129-K189 HydrophobicContact CB-CD 4.27Å; P129-K189 HydrophobicContact CB-CG 4.09Å; P129-K189 HydrophobicContact CG-CB 4.4Å
130	E	91.4	Very high	86.3	Confident	52 Å²	52	51.6 Å²	51.6	24%	0.243	28%	0.278	C	S	.	.			trans	-81	155	171.8	65.9	74.4	-138.3	0	0	111.1	V16 L132 K189	V16-E130 HydrophobicContact CG1-CB 4.06Å; V16-E130 HydrophobicContact CG1-CG 3.94Å; V16-E130 HydrophobicContact CG2-CG 4.01Å; E130-L132 HydrophobicContact CB-CG 4.33Å; E130-L132 WeakPolarHBondContact OE2-CB 3.47Å; E130-L132 WeakPolarHBondContact OE2-CG 3.47Å; E130-L132 PolarHBondContact OE2-N 3.15Å; E130-K189 PolarHBondContact O-NZ 3.08Å; E130-K189 IonicContact OE1-NZ 3.9Å; E130-K189 PolarHBondContact OE1-NZ 2.93Å
131	F	92.6	Very high	88.9	Confident	37 Å²	37	44 Å²	44	16%	0.162	24%	0.238	C	C	.	.			trans	-135.5	38.4	173.4	-62.3	-81.3	0	0	0	111.3	P129 R146 L148 K189 A192	P129-F131 HydrophobicContact CB-CE2 4.39Å; P129-F131 HydrophobicContact CB-CZ 4.4Å; P129-F131 HydrophobicContact CG-CE2 4.1Å; P129-F131 HydrophobicContact CG-CZ 4.21Å; F131-R146 VanDerWaalsContact CG-NH1 3.26Å; F131-R146 VanDerWaalsContact CG-NH2 3.26Å; F131-L148 HydrophobicContact CE2-CD1 3.84Å; F131-L148 HydrophobicContact CE2-CG 3.89Å; F131-L148 HydrophobicContact CZ-CD1 3.69Å; F131-L148 HydrophobicContact CZ-CG 4.27Å; F131-K189 HydrophobicContact CD1-CD 4.16Å; F131-K189 HydrophobicContact CE1-CD 3.85Å; F131-K189 HydrophobicContact CZ-CD 4.46Å; F131-A192 HydrophobicContact CE1-CB 3.91Å
132	L	91.2	Very high	90.9	Very high	25 Å²	25	40.4 Å²	40.4	13%	0.131	22%	0.22	C	C	.	.			trans	-72.6	146.7	-178.1	-54.5	-178.7	0	0	0	110.5	Y15 V16 E130 A137 N140 L141	Y15-L132 HydrophobicContact CE1-CB 4.3Å; V16-L132 HydrophobicContact CG1-CD1 4.46Å; E130-L132 HydrophobicContact CB-CG 4.33Å; E130-L132 WeakPolarHBondContact OE2-CB 3.47Å; E130-L132 WeakPolarHBondContact OE2-CG 3.47Å; E130-L132 PolarHBondContact OE2-N 3.15Å; L132-A137 HydrophobicContact CB-CB 4.29Å; L132-A137 HydrophobicContact CD1-CB 4.34Å; L132-A137 HydrophobicContact CD2-CB 4.46Å; L132-N140 HydrophobicContact CD2-CB 4.24Å; L132-L141 HydrophobicContact CD1-CD1 4.44Å; L132-L141 HydrophobicContact CD2-CD1 4.23Å; L132-L141 HydrophobicContact CD2-CD2 3.74Å; L132-L141 HydrophobicContact CD2-CG 3.56Å
133	A	87.9	Confident	92	Very high	30 Å²	30	41.5 Å²	41.5	25%	0.248	22%	0.215	C	C	.	.			trans	-119.2	135.1	167.5	0	0	0	0	0	109.7	Y15 T136 A137 N140	Y15-A133 PolarHBondContact OH-O 3.21Å; A133-T136 CarbonylContact O-C 3.36Å; A133-T136 PolarHBondContact O-N 2.73Å; A133-T136 VanDerWaalsContact O-N 3.1Å; A133-T136 PolarHBondContact O-OG1 3.31Å; A133-A137 PolarHBondContact O-N 2.66Å; A133-A137 VanDerWaalsContact O-N 3.14Å; A133-N140 PolarHBondContact N-OD1 3.29Å
134	E	85.2	Confident	92.7	Very high	26 Å²	26	38.2 Å²	38.2	12%	0.121	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	134.7	173.5	-66.4	178.9	-164.8	0	0	112	Y15 T136 F307 K308 T311 D313 R315	Y15-E134 HydrophobicContact CE1-CG 3.91Å; Y15-E134 HydrophobicContact CE2-CG 3.9Å; Y15-E134 WeakPolarHBondContact OH-CA 3.48Å; Y15-E134 PolarHBondContact OH-N 2.76Å; E134-T136 VanDerWaalsContact C-N 3.32Å; E134-F307 WeakPolarHBondContact OE2-CE1 3.17Å; E134-K308 WeakPolarHBondContact O-CE 3.46Å; E134-K308 PolarHBondContact O-NZ 2.96Å; E134-T311 VanDerWaalsContact OE2-CB 3.3Å; E134-T311 WeakPolarHBondContact OE2-CB 3.27Å; E134-T311 PolarHBondContact OE2-OG1 2.91Å; E134-D313 VanDerWaalsContact OE1-OD2 3.14Å; E134-D313 WeakPolarHBondContact OE2-CB 3.46Å; E134-R315 IonicContact OE1-NH2 3.77Å; E134-R315 PolarHBondContact OE1-NH2 3.19Å
135	G	83.6	Confident	93	Very high	18 Å²	18	41.3 Å²	41.3	19%	0.186	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-9.5	-173.2	0	0	0	0	0	114.8	E55	E55-G135 PolarHBondContact OE1-N 3.43Å; E55-G135 VanDerWaalsContact OE2-C 3.28Å; E55-G135 PolarHBondContact OE2-N 3.34Å
136	T	89.4	Confident	93.3	Very high	50 Å²	50	43.3 Å²	43.3	31%	0.307	22%	0.22	S	C	.	.			trans	-138.9	17.2	179.9	61.5	0	0	0	0	113	E55 A133 E134 I138 E139 N140	E55-T136 PolarHBondContact OE2-N 2.93Å; E55-T136 VanDerWaalsContact OE2-N 3.16Å; A133-T136 CarbonylContact O-C 3.36Å; A133-T136 PolarHBondContact O-N 2.73Å; A133-T136 VanDerWaalsContact O-N 3.1Å; A133-T136 PolarHBondContact O-OG1 3.31Å; E134-T136 VanDerWaalsContact C-N 3.32Å; T136-I138 PolarHBondContact O-N 3.07Å; T136-E139 PolarHBondContact O-N 3.41Å; T136-N140 WeakPolarHBondContact O-CB 3.41Å; T136-N140 PolarHBondContact O-N 3.46Å; T136-N140 PolarHBondContact O-ND2 3.29Å; T136-N140 PolarHBondContact O-OD1 3.32Å; T136-N140 PolarHBondContact OG1-OD1 3.02Å
137	A	91.3	Very high	93.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-42.3	-170.3	0	0	0	0	0	113	Y15 E55 L132 A133 N140 L141	Y15-A137 WeakPolarHBondContact OH-CB 3.02Å; E55-A137 HydrophobicContact CG-CB 4.06Å; E55-A137 PolarHBondContact OE2-N 2.77Å; L132-A137 HydrophobicContact CB-CB 4.29Å; L132-A137 HydrophobicContact CD1-CB 4.34Å; L132-A137 HydrophobicContact CD2-CB 4.46Å; A133-A137 PolarHBondContact O-N 2.66Å; A133-A137 VanDerWaalsContact O-N 3.14Å; A137-N140 PolarHBondContact O-N 2.9Å; A137-L141 WeakPolarHBondContact O-CB 3.47Å; A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.24Å; A137-L141 PolarHBondContact O-N 3.02Å
138	I	94.7	Very high	93.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-42.8	179.5	-57.8	-60.2	0	0	0	110.9	P19 V23 E55 P56 L57 L58 V61 T136 N140 L141 L142	P19-I138 HydrophobicContact CB-CD1 3.91Å; V23-I138 HydrophobicContact CG2-CD1 4.29Å; E55-I138 HydrophobicContact CB-CG1 4.11Å; P56-I138 WeakPolarHBondContact O-CB 3.35Å; P56-I138 WeakPolarHBondContact O-CG1 3.39Å; L57-I138 HydrophobicContact CB-CG2 4.01Å; L58-I138 HydrophobicContact CB-CD1 3.94Å; L58-I138 HydrophobicContact CB-CG1 3.86Å; L58-I138 HydrophobicContact CD1-CD1 3.73Å; L58-I138 HydrophobicContact CG-CD1 4.38Å; V61-I138 HydrophobicContact CG2-CG2 4.23Å; T136-I138 PolarHBondContact O-N 3.07Å; I138-N140 VanDerWaalsContact C-N 3.33Å; I138-N140 PolarHBondContact O-N 3.42Å; I138-L141 HydrophobicContact CD1-CD1 4.48Å; I138-L141 PolarHBondContact O-N 3.19Å; I138-L142 HydrophobicContact CG2-CD1 3.8Å; I138-L142 HydrophobicContact CG2-CG 4.28Å; I138-L142 WeakPolarHBondContact O-CB 3.35Å; I138-L142 VanDerWaalsContact O-CG 3.27Å; I138-L142 WeakPolarHBondContact O-CG 3.32Å; I138-L142 PolarHBondContact O-N 2.99Å
139	E	94.5	Very high	93.7	Very high	113 Å²	113	40 Å²	40	53%	0.528	20%	0.202	S	C	.	.	H	α-helix	trans	-59.4	-44.8	173.7	-173.7	-177.7	-177.3	0	0	111.2	T136 L141 L142 Y143	T136-E139 PolarHBondContact O-N 3.41Å; E139-L141 VanDerWaalsContact C-N 3.3Å; E139-L141 PolarHBondContact O-N 3.18Å; E139-L142 PolarHBondContact O-N 2.69Å; E139-Y143 HydrophobicContact CG-CD2 4.41Å; E139-Y143 PolarHBondContact O-N 2.65Å
140	N	95.5	Very high	93.9	Very high	45 Å²	45	39 Å²	39	24%	0.241	20%	0.195	C	C	.	.	H	α-helix	trans	-68.6	-26.8	179.2	-59.5	157.1	0	0	0	113.2	L132 A133 T136 A137 I138 P144	L132-N140 HydrophobicContact CD2-CB 4.24Å; A133-N140 PolarHBondContact N-OD1 3.29Å; T136-N140 WeakPolarHBondContact O-CB 3.41Å; T136-N140 PolarHBondContact O-N 3.46Å; T136-N140 PolarHBondContact O-ND2 3.29Å; T136-N140 PolarHBondContact O-OD1 3.32Å; T136-N140 PolarHBondContact OG1-OD1 3.02Å; A137-N140 PolarHBondContact O-N 2.9Å; I138-N140 VanDerWaalsContact C-N 3.33Å; I138-N140 PolarHBondContact O-N 3.42Å; N140-P144 WeakPolarHBondContact O-CA 3.37Å; N140-P144 VanDerWaalsContact O-CB 3.28Å; N140-P144 WeakPolarHBondContact O-CB 3.3Å; N140-P144 VanDerWaalsContact O-N 3.17Å
141	L	97.4	Very high	94	Very high	19 Å²	19	36.6 Å²	36.6	10%	0.099	18%	0.184	C	C	.	.	H	α-helix	trans	-78.4	-37.1	173.7	-74.8	165.6	0	0	0	112.2	P19 T20 V23 L132 A137 I138 E139 W171	P19-L141 VanDerWaalsContact C-CD1 3.5Å; P19-L141 HydrophobicContact CB-CD1 3.68Å; T20-L141 HydrophobicContact CG2-CD2 4.2Å; V23-L141 HydrophobicContact CB-CB 4.14Å; V23-L141 HydrophobicContact CB-CD1 4.5Å; V23-L141 HydrophobicContact CG1-CB 4.09Å; V23-L141 HydrophobicContact CG2-CB 3.81Å; V23-L141 HydrophobicContact CG2-CD1 3.98Å; L132-L141 HydrophobicContact CD1-CD1 4.44Å; L132-L141 HydrophobicContact CD2-CD1 4.23Å; L132-L141 HydrophobicContact CD2-CD2 3.74Å; L132-L141 HydrophobicContact CD2-CG 3.56Å; A137-L141 WeakPolarHBondContact O-CB 3.47Å; A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.24Å; A137-L141 PolarHBondContact O-N 3.02Å; I138-L141 HydrophobicContact CD1-CD1 4.48Å; I138-L141 PolarHBondContact O-N 3.19Å; E139-L141 VanDerWaalsContact C-N 3.3Å; E139-L141 PolarHBondContact O-N 3.18Å; L141-W171 PolarHBondContact O-NE1 2.97Å
142	L	96.7	Very high	94.1	Very high	18 Å²	18	38.9 Å²	38.9	9%	0.094	20%	0.195	C	C	.	.	H	α-helix	trans	-75.1	-35.9	178	-70.5	172.5	0	0	0	112.1	V23 Y26 K27 I138 E139 P144 W171	V23-L142 HydrophobicContact CG1-CD2 3.92Å; V23-L142 HydrophobicContact CG1-CG 4.48Å; Y26-L142 HydrophobicContact CD1-CD2 4.42Å; K27-L142 HydrophobicContact CD-CD2 4.45Å; K27-L142 HydrophobicContact CG-CD2 4.49Å; I138-L142 HydrophobicContact CG2-CD1 3.8Å; I138-L142 HydrophobicContact CG2-CG 4.28Å; I138-L142 WeakPolarHBondContact O-CB 3.35Å; I138-L142 VanDerWaalsContact O-CG 3.27Å; I138-L142 WeakPolarHBondContact O-CG 3.32Å; I138-L142 PolarHBondContact O-N 2.99Å; E139-L142 PolarHBondContact O-N 2.69Å; L142-P144 VanDerWaalsContact C-CD 3.47Å; L142-W171 VanDerWaalsContact O-CD1 3.3Å
143	Y	96.9	Very high	94.3	Very high	154 Å²	154	43.1 Å²	43.1	60%	0.604	21%	0.214	S	C	*	.	S	Bend	trans	-132.6	59.3	-176.4	-52.1	-72.5	0	0	0	111.4	E139	E139-Y143 HydrophobicContact CG-CD2 4.41Å; E139-Y143 PolarHBondContact O-N 2.65Å
144	P	97.5	Very high	94.6	Very high	10 Å²	10	44 Å²	44	7%	0.065	22%	0.216	C	C	.	.			trans	-62.6	143.5	-178.3	26.4	-33.9	0	0	0	110.7	N140 L142 R146 I147 V172 R176	N140-P144 WeakPolarHBondContact O-CA 3.37Å; N140-P144 VanDerWaalsContact O-CB 3.28Å; N140-P144 WeakPolarHBondContact O-CB 3.3Å; N140-P144 VanDerWaalsContact O-N 3.17Å; L142-P144 VanDerWaalsContact C-CD 3.47Å; P144-R146 PolarHBondContact O-N 3.3Å; P144-I147 HydrophobicContact CB-CD1 3.94Å; P144-I147 HydrophobicContact CB-CG1 4.25Å; P144-I147 HydrophobicContact CG-CD1 3.93Å; P144-I147 HydrophobicContact CG-CG1 3.92Å; P144-V172 HydrophobicContact CG-CB 4.49Å; P144-V172 HydrophobicContact CG-CG1 3.93Å; P144-V172 HydrophobicContact CG-CG2 3.69Å; P144-R176 WeakPolarHBondContact O-CD 3.41Å; P144-R176 PolarHBondContact O-NH1 3.3Å
145	D	96.2	Very high	95.2	Very high	116 Å²	116	47.4 Å²	47.4	62%	0.62	24%	0.241	S	C	*	.	S	Bend	trans	-61.8	-36.7	167.4	-72.8	-38.3	0	0	0	110.4
146	R	97.6	Very high	95.7	Very high	76 Å²	76	51.4 Å²	51.4	29%	0.287	26%	0.255	S	S	.	.			trans	-162.7	151	177.5	66.6	-73.3	-179	-119.4	7.9	111.7	F131 P144 L148 R176	F131-R146 VanDerWaalsContact CG-NH1 3.26Å; F131-R146 VanDerWaalsContact CG-NH2 3.26Å; P144-R146 PolarHBondContact O-N 3.3Å; R146-L148 HydrophobicContact CG-CD2 4.15Å; R146-R176 CarbonylContact C-O 3.5Å; R146-R176 WeakPolarHBondContact CA-O 3.44Å
147	I	98.4	Very high	95.9	Very high	21 Å²	21	49 Å²	49	11%	0.108	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.3	164.6	-63.1	-62.6	0	0	0	107.5	P144 I149 Y168 V172 R176 I177 L178	P144-I147 HydrophobicContact CB-CD1 3.94Å; P144-I147 HydrophobicContact CB-CG1 4.25Å; P144-I147 HydrophobicContact CG-CD1 3.93Å; P144-I147 HydrophobicContact CG-CG1 3.92Å; I147-I149 HydrophobicContact CG2-CG1 4.16Å; I147-Y168 HydrophobicContact CD1-CD1 4.28Å; I147-Y168 HydrophobicContact CD1-CE1 4.06Å; I147-Y168 HydrophobicContact CG1-CD1 4.18Å; I147-Y168 HydrophobicContact CG1-CE1 4.42Å; I147-Y168 HydrophobicContact CG1-CG 4.4Å; I147-Y168 HydrophobicContact CG2-CD1 4.39Å; I147-Y168 HydrophobicContact CG2-CD2 3.65Å; I147-Y168 HydrophobicContact CG2-CE1 4.41Å; I147-Y168 HydrophobicContact CG2-CE2 3.61Å; I147-Y168 HydrophobicContact CG2-CG 4.04Å; I147-V172 HydrophobicContact CG1-CG1 4.27Å; I147-V172 HydrophobicContact CG1-CG2 4.37Å; I147-R176 PolarHBondContact N-O 3.44Å; I147-I177 HydrophobicContact CB-CG1 4.41Å; I147-I177 HydrophobicContact CB-CG2 4.49Å; I147-I177 HydrophobicContact CG2-CG2 4.42Å; I147-I177 WeakPolarHBondContact O-CA 3.49Å; I147-L178 PolarHBondContact O-N 2.93Å
148	L	98.4	Very high	96.2	Very high	9 Å²	9	53.3 Å²	53.3	5%	0.047	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136	174.8	-52.6	-174	0	0	0	109.8	N128 P129 F131 R146 L178 M180	N128-L148 WeakPolarHBondContact CA-O 3.2Å; N128-L148 PolarHBondContact ND2-O 3.34Å; P129-L148 HydrophobicContact CG-CB 3.88Å; P129-L148 HydrophobicContact CG-CD1 3.99Å; P129-L148 HydrophobicContact CG-CG 4.33Å; F131-L148 HydrophobicContact CE2-CD1 3.84Å; F131-L148 HydrophobicContact CE2-CG 3.89Å; F131-L148 HydrophobicContact CZ-CD1 3.69Å; F131-L148 HydrophobicContact CZ-CG 4.27Å; R146-L148 HydrophobicContact CG-CD2 4.15Å; L148-L178 WeakPolarHBondContact CA-O 3.39Å; L148-L178 HydrophobicContact CD2-CB 3.77Å; L148-L178 HydrophobicContact CD2-CD1 3.8Å; L148-L178 HydrophobicContact CD2-CG 4.18Å; L148-M180 HydrophobicContact CD2-CE 3.88Å
149	I	98.5	Very high	96.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	102.3	175.1	-56.7	173.8	0	0	0	107.8	L126 I147 A161 L164 E165 Y168 I177 L178 T179 M180	L126-I149 HydrophobicContact CD1-CG2 4.25Å; I147-I149 HydrophobicContact CG2-CG1 4.16Å; I149-A161 HydrophobicContact CG2-CB 3.72Å; I149-L164 HydrophobicContact CD1-CB 4.31Å; I149-L164 HydrophobicContact CD1-CD2 4.27Å; I149-L164 HydrophobicContact CD1-CG 3.95Å; I149-L164 HydrophobicContact CG1-CD2 4.1Å; I149-L164 HydrophobicContact CG1-CG 4.33Å; I149-L164 HydrophobicContact CG2-CD2 4.13Å; I149-E165 HydrophobicContact CD1-CB 3.87Å; I149-Y168 HydrophobicContact CD1-CD2 4.15Å; I149-I177 HydrophobicContact CD1-CG2 3.75Å; I149-I177 HydrophobicContact CG1-CG2 4.38Å; I149-L178 PolarHBondContact N-O 3.01Å; I149-T179 HydrophobicContact CB-CG2 4.21Å; I149-T179 CarbonylContact O-C 3.56Å; I149-T179 VanDerWaalsContact O-CA 3.29Å; I149-T179 WeakPolarHBondContact O-CA 3.41Å; I149-M180 PolarHBondContact O-N 3.26Å
150	G	96.8	Very high	96.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.6	176.2	0	0	0	0	0	111	L126 S127 M180 S185	L126-G150 CarbonylContact C-O 3.57Å; L126-G150 VanDerWaalsContact CA-O 3.22Å; L126-G150 WeakPolarHBondContact CA-O 3.31Å; S127-G150 PolarHBondContact N-O 3.46Å; S127-G150 PolarHBondContact O-N 3.22Å; G150-M180 CarbonylContact C-O 3.56Å; G150-M180 VanDerWaalsContact CA-O 3.26Å; G150-M180 WeakPolarHBondContact CA-O 3.41Å; G150-S185 VanDerWaalsContact CA-CB 3.48Å
151	G	94.4	Very high	96.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	169.3	176.2	0	0	0	0	0	112.9	Q153 M180 N181 T182	G151-Q153 PolarHBondContact O-NE2 3.15Å; G151-M180 PolarHBondContact N-O 2.83Å; G151-N181 WeakPolarHBondContact O-CA 3.34Å; G151-T182 PolarHBondContact O-N 2.85Å; G151-T182 PolarHBondContact O-OG1 3.09Å
152	E	93.3	Very high	96.4	Very high	85 Å²	85	55 Å²	55	40%	0.397	27%	0.272	S	S	.	.			trans	-60.9	144.5	165.7	-66.1	-168.1	-179.7	0	0	109.5	R105 T154 G157	R105-E152 IonicContact NH1-OE1 3.8Å; E152-T154 HydrophobicContact CB-CG2 4.46Å; E152-T154 PolarHBondContact O-N 3.1Å; E152-G157 CarbonylContact O-C 3.56Å; E152-G157 WeakPolarHBondContact O-CA 3.37Å
153	Q	95.6	Very high	96.3	Very high	114 Å²	114	59.1 Å²	59.1	53%	0.533	29%	0.289	S	S	.	.	S	Bend	trans	-88.5	27.6	-178.4	-57.9	-59.2	-73.8	0	0	111.9	G151 M180 N181	G151-Q153 PolarHBondContact O-NE2 3.15Å; Q153-M180 PolarHBondContact NE2-O 3.45Å; Q153-N181 HydrophobicContact CG-CB 3.91Å
154	T	95.7	Very high	96.4	Very high	48 Å²	48	52 Å²	52	29%	0.294	26%	0.261	S	S	.	.	S	Bend	trans	-86.3	159.7	171.1	57	0	0	0	0	109.6	E152 E156 G157 L158	E152-T154 HydrophobicContact CB-CG2 4.46Å; E152-T154 PolarHBondContact O-N 3.1Å; T154-E156 PolarHBondContact O-N 3Å; T154-G157 PolarHBondContact O-N 3.47Å; T154-G157 VanDerWaalsContact O-N 3.16Å; T154-G157 PolarHBondContact OG1-N 3.39Å; T154-G157 VanDerWaalsContact OG1-N 3.15Å; T154-L158 WeakPolarHBondContact O-CG 3.3Å; T154-L158 PolarHBondContact O-N 3.37Å
155	P	96.4	Very high	96.4	Very high	98 Å²	98	53 Å²	53	64%	0.636	27%	0.265	S	S	*	.	H	α-helix	trans	-52.4	-41.8	174.9	-27.6	36.4	0	0	0	113.3	E159	P155-E159 WeakPolarHBondContact O-CB 3.4Å; P155-E159 PolarHBondContact O-N 3.15Å
156	E	93.8	Very high	96.5	Very high	102 Å²	102	51 Å²	51	48%	0.477	25%	0.254	S	S	.	.	H	α-helix	trans	-67.8	-41.8	179.1	-57.9	74.2	-161.1	0	0	111.6	Q124 T154 E159 A160	Q124-E156 HydrophobicContact CG-CB 4.11Å; T154-E156 PolarHBondContact O-N 3Å; E156-E159 PolarHBondContact O-N 2.91Å; E156-A160 WeakPolarHBondContact O-CB 3.47Å; E156-A160 PolarHBondContact O-N 2.83Å
157	G	94.4	Very high	96.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.2	-39.3	177.6	0	0	0	0	0	112.8	E152 T154 A160 A161	E152-G157 CarbonylContact O-C 3.56Å; E152-G157 WeakPolarHBondContact O-CA 3.37Å; T154-G157 PolarHBondContact O-N 3.47Å; T154-G157 VanDerWaalsContact O-N 3.16Å; T154-G157 PolarHBondContact OG1-N 3.39Å; T154-G157 VanDerWaalsContact OG1-N 3.15Å; G157-A160 PolarHBondContact O-N 2.88Å; G157-A161 WeakPolarHBondContact O-CB 3.38Å; G157-A161 PolarHBondContact O-N 3.15Å
158	L	97.4	Very high	96.5	Very high	90 Å²	90	47 Å²	47	47%	0.471	24%	0.238	S	C	.	.	H	α-helix	trans	-66.6	-41.2	174.6	-67.5	175	0	0	0	111.8	T154 A161 K162	T154-L158 WeakPolarHBondContact O-CG 3.3Å; T154-L158 PolarHBondContact O-N 3.37Å; L158-A161 PolarHBondContact O-N 2.67Å; L158-K162 WeakPolarHBondContact O-CB 3.05Å; L158-K162 PolarHBondContact O-N 3.3Å
159	E	96.2	Very high	96.5	Very high	104 Å²	104	49.7 Å²	49.7	49%	0.486	25%	0.252	S	S	.	.	H	α-helix	trans	-63.6	-42.1	174.9	177.3	55.9	-154.7	0	0	111.6	P155 E156 K162 K163	P155-E159 WeakPolarHBondContact O-CB 3.4Å; P155-E159 PolarHBondContact O-N 3.15Å; E156-E159 PolarHBondContact O-N 2.91Å; E159-K162 WeakPolarHBondContact O-CB 3.44Å; E159-K162 PolarHBondContact O-N 3.19Å; E159-K163 WeakPolarHBondContact O-CG 3.49Å; E159-K163 PolarHBondContact O-N 2.92Å; E159-K163 WeakPolarHBondContact OE1-CE 3.47Å
160	A	95.3	Very high	96.5	Very high	18 Å²	18	54.4 Å²	54.4	15%	0.149	27%	0.274	C	S	.	.	H	α-helix	trans	-61.7	-45.4	174.4	0	0	0	0	0	111.9	Q124 L126 E156 G157 K162 K163 L164	Q124-A160 HydrophobicContact CB-CB 3.41Å; Q124-A160 VanDerWaalsContact CB-CB 3.41Å; Q124-A160 HydrophobicContact CG-CB 3.93Å; L126-A160 HydrophobicContact CD1-CB 4.41Å; L126-A160 WeakPolarHBondContact CD1-O 3.38Å; L126-A160 HydrophobicContact CD2-CB 4.26Å; L126-A160 HydrophobicContact CG-CB 4.5Å; E156-A160 WeakPolarHBondContact O-CB 3.47Å; E156-A160 PolarHBondContact O-N 2.83Å; G157-A160 PolarHBondContact O-N 2.88Å; A160-K162 VanDerWaalsContact C-N 3.26Å; A160-K162 PolarHBondContact O-N 3.13Å; A160-K163 PolarHBondContact O-N 3.3Å; A160-L164 PolarHBondContact O-N 2.93Å
161	A	97.3	Very high	96.6	Very high	7 Å²	7	56.2 Å²	56.2	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-39.4	175.1	0	0	0	0	0	111.5	L126 I149 G157 L158 L164 E165	L126-A161 HydrophobicContact CD2-CB 4.12Å; I149-A161 HydrophobicContact CG2-CB 3.72Å; G157-A161 WeakPolarHBondContact O-CB 3.38Å; G157-A161 PolarHBondContact O-N 3.15Å; L158-A161 PolarHBondContact O-N 2.67Å; A161-L164 PolarHBondContact O-N 2.79Å; A161-E165 WeakPolarHBondContact O-CB 3.44Å; A161-E165 PolarHBondContact O-N 3.43Å
162	K	97.4	Very high	96.7	Very high	84 Å²	84	56.3 Å²	56.3	37%	0.365	28%	0.281	S	S	.	.	H	α-helix	trans	-65	-39	178.2	-171	56.5	177.3	-177.7	0	112.6	L158 E159 A160 L164 E165 N166	L158-K162 WeakPolarHBondContact O-CB 3.05Å; L158-K162 PolarHBondContact O-N 3.3Å; E159-K162 WeakPolarHBondContact O-CB 3.44Å; E159-K162 PolarHBondContact O-N 3.19Å; A160-K162 VanDerWaalsContact C-N 3.26Å; A160-K162 PolarHBondContact O-N 3.13Å; K162-L164 PolarHBondContact O-N 3.34Å; K162-E165 WeakPolarHBondContact CD-OE2 3.41Å; K162-E165 WeakPolarHBondContact CE-OE2 3.43Å; K162-E165 IonicContact NZ-OE1 3.75Å; K162-E165 IonicContact NZ-OE2 3.36Å; K162-E165 PolarHBondContact NZ-OE2 3.34Å; K162-E165 PolarHBondContact O-N 2.76Å; K162-N166 WeakPolarHBondContact CE-OD1 3.33Å; K162-N166 WeakPolarHBondContact O-CB 3.39Å; K162-N166 PolarHBondContact O-N 3.17Å; K162-N166 PolarHBondContact O-ND2 3.42Å; K162-N166 PolarHBondContact O-OD1 3.18Å
163	K	96	Very high	97	Very high	105 Å²	105	55.4 Å²	55.4	46%	0.457	28%	0.283	S	S	.	.	H	α-helix	trans	-59.5	-45.7	174.3	-71.9	175.2	-178.1	176.6	0	111.9	E159 A160 N166 I167	E159-K163 WeakPolarHBondContact O-CG 3.49Å; E159-K163 PolarHBondContact O-N 2.92Å; E159-K163 WeakPolarHBondContact OE1-CE 3.47Å; A160-K163 PolarHBondContact O-N 3.3Å; K163-N166 PolarHBondContact O-N 3.15Å; K163-I167 PolarHBondContact O-N 3.15Å
164	L	97.6	Very high	97.1	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-67.9	-41.2	176.5	178.7	58.3	0	0	0	112.1	L85 F87 L126 N128 I149 A160 A161 K162 N166 I167 Y168	L85-L164 HydrophobicContact CD2-CD1 3.87Å; F87-L164 HydrophobicContact CE1-CD1 4.13Å; F87-L164 HydrophobicContact CE2-CD1 4.36Å; F87-L164 HydrophobicContact CZ-CD1 3.51Å; L126-L164 HydrophobicContact CD1-CB 3.96Å; L126-L164 HydrophobicContact CD1-CD2 3.93Å; N128-L164 HydrophobicContact CB-CD2 3.99Å; I149-L164 HydrophobicContact CD1-CB 4.31Å; I149-L164 HydrophobicContact CD1-CD2 4.27Å; I149-L164 HydrophobicContact CD1-CG 3.95Å; I149-L164 HydrophobicContact CG1-CD2 4.1Å; I149-L164 HydrophobicContact CG1-CG 4.33Å; I149-L164 HydrophobicContact CG2-CD2 4.13Å; A160-L164 PolarHBondContact O-N 2.93Å; A161-L164 PolarHBondContact O-N 2.79Å; K162-L164 PolarHBondContact O-N 3.34Å; L164-N166 VanDerWaalsContact C-N 3.32Å; L164-N166 PolarHBondContact O-N 3.42Å; L164-I167 WeakPolarHBondContact O-CB 3.32Å; L164-I167 PolarHBondContact O-N 3.49Å; L164-Y168 HydrophobicContact CD1-CD2 3.99Å; L164-Y168 HydrophobicContact CD1-CE2 3.49Å; L164-Y168 VanDerWaalsContact CD1-CE2 3.49Å; L164-Y168 HydrophobicContact CD2-CE2 4.21Å; L164-Y168 HydrophobicContact CG-CD2 4.03Å; L164-Y168 HydrophobicContact CG-CE2 3.72Å; L164-Y168 WeakPolarHBondContact O-CD2 3.5Å; L164-Y168 PolarHBondContact O-N 3.37Å
165	E	98.3	Very high	97.2	Very high	30 Å²	30	56.9 Å²	56.9	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-56.6	-46.1	175.1	179.7	-175.2	-158.2	0	0	111.3	I149 A161 K162 I167 Y168 L169 I177	I149-E165 HydrophobicContact CD1-CB 3.87Å; A161-E165 WeakPolarHBondContact O-CB 3.44Å; A161-E165 PolarHBondContact O-N 3.43Å; K162-E165 WeakPolarHBondContact CD-OE2 3.41Å; K162-E165 WeakPolarHBondContact CE-OE2 3.43Å; K162-E165 IonicContact NZ-OE1 3.75Å; K162-E165 IonicContact NZ-OE2 3.36Å; K162-E165 PolarHBondContact NZ-OE2 3.34Å; K162-E165 PolarHBondContact O-N 2.76Å; E165-I167 PolarHBondContact O-N 2.93Å; E165-Y168 PolarHBondContact O-N 2.99Å; E165-L169 HydrophobicContact CG-CD1 3.9Å; E165-L169 HydrophobicContact CG-CG 4.14Å; E165-L169 WeakPolarHBondContact O-CG 3.12Å; E165-L169 PolarHBondContact O-N 3.46Å; E165-I177 HydrophobicContact CG-CD1 4.3Å; E165-I177 HydrophobicContact CG-CG2 4.01Å
166	N	97.8	Very high	97.3	Very high	74 Å²	74	56.8 Å²	56.8	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-59.1	-33.3	179.4	-70.9	-17.9	0	0	0	112.6	K162 K163 L164 H170	K162-N166 WeakPolarHBondContact CE-OD1 3.33Å; K162-N166 WeakPolarHBondContact O-CB 3.39Å; K162-N166 PolarHBondContact O-N 3.17Å; K162-N166 PolarHBondContact O-ND2 3.42Å; K162-N166 PolarHBondContact O-OD1 3.18Å; K163-N166 PolarHBondContact O-N 3.15Å; L164-N166 VanDerWaalsContact C-N 3.32Å; L164-N166 PolarHBondContact O-N 3.42Å; N166-H170 PolarHBondContact O-CE1 2.93Å; N166-H170 PolarHBondContact O-ND1 2.83Å
167	I	97.8	Very high	97.5	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-54.1	172.7	-63.5	175	0	0	0	109.6	F6 V8 I24 I31 L85 K163 L164 E165 L169 H170 W171	F6-I167 HydrophobicContact CE1-CD1 3.98Å; V8-I167 HydrophobicContact CG2-CD1 4.25Å; I24-I167 HydrophobicContact CG2-CG2 3.99Å; I31-I167 HydrophobicContact CD1-CD1 4.22Å; I31-I167 HydrophobicContact CD1-CG1 3.87Å; I31-I167 HydrophobicContact CD1-CG2 4.19Å; L85-I167 HydrophobicContact CD2-CD1 3.44Å; L85-I167 VanDerWaalsContact CD2-CD1 3.44Å; K163-I167 PolarHBondContact O-N 3.15Å; L164-I167 WeakPolarHBondContact O-CB 3.32Å; L164-I167 PolarHBondContact O-N 3.49Å; E165-I167 PolarHBondContact O-N 2.93Å; I167-L169 VanDerWaalsContact C-N 3.26Å; I167-L169 PolarHBondContact O-N 3.48Å; I167-H170 WeakPolarHBondContact O-CB 3.35Å; I167-H170 PolarHBondContact O-N 3.1Å; I167-H170 PolarHBondContact O-ND1 3.18Å; I167-W171 HydrophobicContact CG2-CZ3 4.33Å; I167-W171 VanDerWaalsContact O-CZ3 3.28Å; I167-W171 WeakPolarHBondContact O-CZ3 3.44Å
168	Y	98.5	Very high	97.7	Very high	8 Å²	8	56.2 Å²	56.2	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-32.2	-178.7	-74	-61.9	0	0	0	113.7	N128 I147 I149 L164 E165 H170 W171 V172	N128-Y168 PolarHBondContact OD1-OH 2.78Å; I147-Y168 HydrophobicContact CD1-CD1 4.28Å; I147-Y168 HydrophobicContact CD1-CE1 4.06Å; I147-Y168 HydrophobicContact CG1-CD1 4.18Å; I147-Y168 HydrophobicContact CG1-CE1 4.42Å; I147-Y168 HydrophobicContact CG1-CG 4.4Å; I147-Y168 HydrophobicContact CG2-CD1 4.39Å; I147-Y168 HydrophobicContact CG2-CD2 3.65Å; I147-Y168 HydrophobicContact CG2-CE1 4.41Å; I147-Y168 HydrophobicContact CG2-CE2 3.61Å; I147-Y168 HydrophobicContact CG2-CG 4.04Å; I149-Y168 HydrophobicContact CD1-CD2 4.15Å; L164-Y168 HydrophobicContact CD1-CD2 3.99Å; L164-Y168 HydrophobicContact CD1-CE2 3.49Å; L164-Y168 VanDerWaalsContact CD1-CE2 3.49Å; L164-Y168 HydrophobicContact CD2-CE2 4.21Å; L164-Y168 HydrophobicContact CG-CD2 4.03Å; L164-Y168 HydrophobicContact CG-CE2 3.72Å; L164-Y168 WeakPolarHBondContact O-CD2 3.5Å; L164-Y168 PolarHBondContact O-N 3.37Å; E165-Y168 PolarHBondContact O-N 2.99Å; Y168-H170 PolarHBondContact O-N 2.98Å; Y168-W171 AromaticContact CD1-CH2 3.46Å; Y168-W171 HydrophobicContact CD1-CH2 3.46Å; Y168-W171 VanDerWaalsContact CD1-CH2 3.46Å; Y168-W171 AromaticContact CD1-CZ2 3.57Å; Y168-W171 HydrophobicContact CD1-CZ2 3.57Å; Y168-W171 HydrophobicContact CD1-CZ3 4.33Å; Y168-W171 AromaticContact CE1-CH2 3.89Å; Y168-W171 HydrophobicContact CE1-CH2 3.89Å; Y168-W171 AromaticContact CE1-CZ2 3.95Å; Y168-W171 HydrophobicContact CE1-CZ2 3.95Å; Y168-W171 HydrophobicContact CG-CH2 4.42Å; Y168-W171 PolarHBondContact O-N 2.83Å; Y168-W171 VanDerWaalsContact O-N 3.16Å; Y168-V172 HydrophobicContact CD1-CG2 4.48Å; Y168-V172 WeakPolarHBondContact O-CB 3.34Å; Y168-V172 PolarHBondContact O-N 2.98Å
169	L	98.4	Very high	97.8	Very high	65 Å²	65	55.7 Å²	55.7	34%	0.34	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-13.9	178.7	-77.6	172.5	0	0	0	114.2	E165 I167 W171 A174 I177	E165-L169 HydrophobicContact CG-CD1 3.9Å; E165-L169 HydrophobicContact CG-CG 4.14Å; E165-L169 WeakPolarHBondContact O-CG 3.12Å; E165-L169 PolarHBondContact O-N 3.46Å; I167-L169 VanDerWaalsContact C-N 3.26Å; I167-L169 PolarHBondContact O-N 3.48Å; L169-W171 PolarHBondContact O-N 2.92Å; L169-A174 HydrophobicContact CD2-CB 3.68Å; L169-I177 HydrophobicContact CD2-CD1 3.67Å; L169-I177 HydrophobicContact CG-CD1 3.77Å
170	H	98	Very high	97.8	Very high	100 Å²	100	52.8 Å²	52.8	46%	0.463	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.4	174.3	-70.6	78.2	0	0	0	113	E30 N166 I167 Y168	E30-H170 IonicContact OE1-CD2 3.02Å; E30-H170 IonicContact OE1-NE2 3.25Å; E30-H170 PolarHBondContact OE1-NE2 3.2Å; N166-H170 PolarHBondContact O-CE1 2.93Å; N166-H170 PolarHBondContact O-ND1 2.83Å; I167-H170 WeakPolarHBondContact O-CB 3.35Å; I167-H170 PolarHBondContact O-N 3.1Å; I167-H170 PolarHBondContact O-ND1 3.18Å; Y168-H170 PolarHBondContact O-N 2.98Å
171	W	98.2	Very high	97.9	Very high	37 Å²	37	54.9 Å²	54.9	14%	0.14	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	-16.8	179.1	76.7	97.5	0	0	0	115.3	V23 I24 K27 L141 L142 I167 Y168 L169	V23-W171 HydrophobicContact CG1-CZ2 4.16Å; I24-W171 HydrophobicContact CG1-CH2 3.98Å; K27-W171 HydrophobicContact CB-CB 4.27Å; K27-W171 HydrophobicContact CB-CD2 3.71Å; K27-W171 HydrophobicContact CB-CE3 3.34Å; K27-W171 HydrophobicContact CB-CG 4.12Å; K27-W171 HydrophobicContact CB-CZ3 3.92Å; K27-W171 HydrophobicContact CD-CB 3.72Å; K27-W171 HydrophobicContact CD-CD2 4.44Å; K27-W171 HydrophobicContact CD-CG 3.98Å; K27-W171 HydrophobicContact CG-CB 3.93Å; K27-W171 HydrophobicContact CG-CD2 3.63Å; K27-W171 HydrophobicContact CG-CE3 3.85Å; K27-W171 HydrophobicContact CG-CG 3.67Å; L141-W171 PolarHBondContact O-NE1 2.97Å; L142-W171 VanDerWaalsContact O-CD1 3.3Å; I167-W171 HydrophobicContact CG2-CZ3 4.33Å; I167-W171 VanDerWaalsContact O-CZ3 3.28Å; I167-W171 WeakPolarHBondContact O-CZ3 3.44Å; Y168-W171 AromaticContact CD1-CH2 3.46Å; Y168-W171 HydrophobicContact CD1-CH2 3.46Å; Y168-W171 VanDerWaalsContact CD1-CH2 3.46Å; Y168-W171 AromaticContact CD1-CZ2 3.57Å; Y168-W171 HydrophobicContact CD1-CZ2 3.57Å; Y168-W171 HydrophobicContact CD1-CZ3 4.33Å; Y168-W171 AromaticContact CE1-CH2 3.89Å; Y168-W171 HydrophobicContact CE1-CH2 3.89Å; Y168-W171 AromaticContact CE1-CZ2 3.95Å; Y168-W171 HydrophobicContact CE1-CZ2 3.95Å; Y168-W171 HydrophobicContact CG-CH2 4.42Å; Y168-W171 PolarHBondContact O-N 2.83Å; Y168-W171 VanDerWaalsContact O-N 3.16Å; L169-W171 PolarHBondContact O-N 2.92Å
172	V	98.4	Very high	97.5	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.024	29%	0.286	C	S	.	.	S	Bend	trans	-97	125.6	178.6	-174.7	0	0	0	0	109.3	P144 I147 Y168 A174 R176 I177	P144-V172 HydrophobicContact CG-CB 4.49Å; P144-V172 HydrophobicContact CG-CG1 3.93Å; P144-V172 HydrophobicContact CG-CG2 3.69Å; I147-V172 HydrophobicContact CG1-CG1 4.27Å; I147-V172 HydrophobicContact CG1-CG2 4.37Å; Y168-V172 HydrophobicContact CD1-CG2 4.48Å; Y168-V172 WeakPolarHBondContact O-CB 3.34Å; Y168-V172 PolarHBondContact O-N 2.98Å; V172-A174 PolarHBondContact O-N 3.06Å; V172-R176 HydrophobicContact CG1-CB 3.96Å; V172-I177 HydrophobicContact CB-CD1 4.26Å; V172-I177 HydrophobicContact CB-CG1 4.27Å; V172-I177 HydrophobicContact CG1-CD1 4.37Å; V172-I177 HydrophobicContact CG1-CG1 3.85Å
173	P	98.1	Very high	97.2	Very high	65 Å²	65	58.4 Å²	58.4	42%	0.422	30%	0.295	S	S	.	.			trans	-56.7	138.3	174.1	-26.4	35.7	0	0	0	112.2	N175 R176	P173-N175 VanDerWaalsContact CB-OD1 3.26Å; P173-N175 WeakPolarHBondContact CB-OD1 3.47Å; P173-N175 PolarHBondContact O-N 3.41Å; P173-N175 VanDerWaalsContact O-N 3.11Å; P173-R176 PolarHBondContact O-N 2.95Å
174	A	98.3	Very high	97.2	Very high	60 Å²	60	55.6 Å²	55.6	50%	0.496	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-54.3	-35.7	-176.3	0	0	0	0	0	113.5	L169 V172 R176 I177	L169-A174 HydrophobicContact CD2-CB 3.68Å; V172-A174 PolarHBondContact O-N 3.06Å; A174-R176 PolarHBondContact O-N 3.29Å; A174-R176 VanDerWaalsContact O-N 3.13Å; A174-I177 PolarHBondContact O-N 2.84Å
175	N	98.1	Very high	97.1	Very high	134 Å²	134	55.4 Å²	55.4	72%	0.717	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-69.5	-6.4	178.5	71.5	-37.7	0	0	0	114.6	P173	P173-N175 VanDerWaalsContact CB-OD1 3.26Å; P173-N175 WeakPolarHBondContact CB-OD1 3.47Å; P173-N175 PolarHBondContact O-N 3.41Å; P173-N175 VanDerWaalsContact O-N 3.11Å
176	R	98.4	Very high	96.7	Very high	96 Å²	96	56.7 Å²	56.7	36%	0.362	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-104.1	-0.8	172	-61.7	-168.7	-172.4	179.9	1.5	112.8	P144 R146 I147 V172 P173 A174	P144-R176 WeakPolarHBondContact O-CD 3.41Å; P144-R176 PolarHBondContact O-NH1 3.3Å; R146-R176 CarbonylContact C-O 3.5Å; R146-R176 WeakPolarHBondContact CA-O 3.44Å; I147-R176 PolarHBondContact N-O 3.44Å; V172-R176 HydrophobicContact CG1-CB 3.96Å; P173-R176 PolarHBondContact O-N 2.95Å; A174-R176 PolarHBondContact O-N 3.29Å; A174-R176 VanDerWaalsContact O-N 3.13Å
177	I	98.6	Very high	96.5	Very high	10 Å²	10	57 Å²	57	5%	0.051	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.5	174.7	-52.3	170.5	0	0	0	107.8	I147 I149 E165 L169 V172 A174	I147-I177 HydrophobicContact CB-CG1 4.41Å; I147-I177 HydrophobicContact CB-CG2 4.49Å; I147-I177 HydrophobicContact CG2-CG2 4.42Å; I147-I177 WeakPolarHBondContact O-CA 3.49Å; I149-I177 HydrophobicContact CD1-CG2 3.75Å; I149-I177 HydrophobicContact CG1-CG2 4.38Å; E165-I177 HydrophobicContact CG-CD1 4.3Å; E165-I177 HydrophobicContact CG-CG2 4.01Å; L169-I177 HydrophobicContact CD2-CD1 3.67Å; L169-I177 HydrophobicContact CG-CD1 3.77Å; V172-I177 HydrophobicContact CB-CD1 4.26Å; V172-I177 HydrophobicContact CB-CG1 4.27Å; V172-I177 HydrophobicContact CG1-CD1 4.37Å; V172-I177 HydrophobicContact CG1-CG1 3.85Å; A174-I177 PolarHBondContact O-N 2.84Å
178	L	98.5	Very high	96.5	Very high	80 Å²	80	58.9 Å²	58.9	42%	0.419	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	108.9	-175.9	-53.4	-179.8	0	0	0	109.2	I147 L148 I149 M180	I147-L178 PolarHBondContact O-N 2.93Å; L148-L178 WeakPolarHBondContact CA-O 3.39Å; L148-L178 HydrophobicContact CD2-CB 3.77Å; L148-L178 HydrophobicContact CD2-CD1 3.8Å; L148-L178 HydrophobicContact CD2-CG 4.18Å; I149-L178 PolarHBondContact N-O 3.01Å; L178-M180 HydrophobicContact CB-CE 3.93Å
179	T	98.2	Very high	96.2	Very high	78 Å²	78	59.8 Å²	59.8	48%	0.479	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	138.6	172.7	55.6	0	0	0	0	110.1	I149	I149-T179 HydrophobicContact CB-CG2 4.21Å; I149-T179 CarbonylContact O-C 3.56Å; I149-T179 VanDerWaalsContact O-CA 3.29Å; I149-T179 WeakPolarHBondContact O-CA 3.41Å
180	M	97.7	Very high	96	Very high	44 Å²	44	58 Å²	58	22%	0.217	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	-178.7	-177.4	61	-172.8	71.3	0	0	111.7	L148 I149 G150 G151 Q153 L178 S184 S185	L148-M180 HydrophobicContact CD2-CE 3.88Å; I149-M180 PolarHBondContact O-N 3.26Å; G150-M180 CarbonylContact C-O 3.56Å; G150-M180 VanDerWaalsContact CA-O 3.26Å; G150-M180 WeakPolarHBondContact CA-O 3.41Å; G151-M180 PolarHBondContact N-O 2.83Å; Q153-M180 PolarHBondContact NE2-O 3.45Å; L178-M180 HydrophobicContact CB-CE 3.93Å; M180-S184 VanDerWaalsContact SD-C 3.59Å; M180-S185 VanDerWaalsContact SD-CA 3.57Å; M180-S185 PolarHBondContact SD-N 3.12Å; M180-S185 VanDerWaalsContact SD-N 3.41Å
181	N	95.9	Very high	96	Very high	62 Å²	62	54.8 Å²	54.8	33%	0.332	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	155.3	171.2	68.8	69.1	0	0	0	112	G151 Q153 W183 S184 S185	G151-N181 WeakPolarHBondContact O-CA 3.34Å; Q153-N181 HydrophobicContact CG-CB 3.91Å; N181-W183 PolarHBondContact O-N 3.11Å; N181-W183 PolarHBondContact OD1-N 2.96Å; N181-S184 PolarHBondContact ND2-OG 3.29Å; N181-S184 PolarHBondContact O-N 2.98Å; N181-S184 WeakPolarHBondContact OD1-CB 3.46Å; N181-S184 PolarHBondContact OD1-N 2.87Å; N181-S184 PolarHBondContact OD1-OG 2.78Å; N181-S185 PolarHBondContact O-N 3.34Å; N181-S185 VanDerWaalsContact O-N 3.14Å
182	T	90.6	Very high	95.9	Very high	16 Å²	16	54.2 Å²	54.2	10%	0.098	30%	0.297	C	S	.	.	H	α-helix	trans	-52.3	-48.8	-177.6	-50.4	0	0	0	0	113.3	V102 G151 S184 S185 E186	V102-T182 HydrophobicContact CG1-CG2 4.46Å; V102-T182 HydrophobicContact CG2-CG2 4.25Å; G151-T182 PolarHBondContact O-N 2.85Å; G151-T182 PolarHBondContact O-OG1 3.09Å; T182-S184 VanDerWaalsContact C-N 3.33Å; T182-S184 PolarHBondContact O-N 3.3Å; T182-S185 PolarHBondContact O-N 3.35Å; T182-E186 HydrophobicContact CG2-CG 4.48Å; T182-E186 WeakPolarHBondContact O-CG 3.09Å; T182-E186 PolarHBondContact O-N 3.36Å
183	W	90.7	Very high	95.8	Very high	148 Å²	148	54.7 Å²	54.7	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-61.8	-40.4	-178.3	-78.2	100.5	0	0	0	112.6	N181 L187	N181-W183 PolarHBondContact O-N 3.11Å; N181-W183 PolarHBondContact OD1-N 2.96Å; W183-L187 VanDerWaalsContact O-CB 3.24Å; W183-L187 WeakPolarHBondContact O-CB 3.37Å; W183-L187 PolarHBondContact O-N 3.28Å
184	S	95.6	Very high	95.7	Very high	46 Å²	46	51.6 Å²	51.6	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-66.3	-39.3	178.5	-57.6	0	0	0	0	111.3	M180 N181 T182 S188	M180-S184 VanDerWaalsContact SD-C 3.59Å; N181-S184 PolarHBondContact ND2-OG 3.29Å; N181-S184 PolarHBondContact O-N 2.98Å; N181-S184 WeakPolarHBondContact OD1-CB 3.46Å; N181-S184 PolarHBondContact OD1-N 2.87Å; N181-S184 PolarHBondContact OD1-OG 2.78Å; T182-S184 VanDerWaalsContact C-N 3.33Å; T182-S184 PolarHBondContact O-N 3.3Å; S184-S188 VanDerWaalsContact O-CB 3.23Å; S184-S188 WeakPolarHBondContact O-CB 3.23Å; S184-S188 PolarHBondContact O-N 2.93Å; S184-S188 PolarHBondContact O-OG 2.97Å
185	S	95.3	Very high	95.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-48.5	176.6	173.3	0	0	0	0	111.8	S127 P129 G150 M180 N181 T182 S188 K189	S127-S185 WeakPolarHBondContact CB-OG 3.38Å; S127-S185 PolarHBondContact O-OG 3.17Å; S127-S185 PolarHBondContact OG-OG 2.82Å; P129-S185 VanDerWaalsContact CD-OG 3.24Å; P129-S185 WeakPolarHBondContact CD-OG 3.14Å; G150-S185 VanDerWaalsContact CA-CB 3.48Å; M180-S185 VanDerWaalsContact SD-CA 3.57Å; M180-S185 PolarHBondContact SD-N 3.12Å; M180-S185 VanDerWaalsContact SD-N 3.41Å; N181-S185 PolarHBondContact O-N 3.34Å; N181-S185 VanDerWaalsContact O-N 3.14Å; T182-S185 PolarHBondContact O-N 3.35Å; S185-S188 PolarHBondContact O-N 3.47Å; S185-K189 PolarHBondContact O-N 3.15Å
186	E	90	Very high	95.7	Very high	58 Å²	58	50.2 Å²	50.2	27%	0.271	26%	0.258	S	S	.	.	H	α-helix	trans	-62.6	-46.7	178.7	-69.8	-174.4	176	0	0	111.6	S127 T182 S188 K189 L190	S127-E186 WeakPolarHBondContact OG-CG 3.44Å; T182-E186 HydrophobicContact CG2-CG 4.48Å; T182-E186 WeakPolarHBondContact O-CG 3.09Å; T182-E186 PolarHBondContact O-N 3.36Å; E186-S188 VanDerWaalsContact C-N 3.31Å; E186-S188 PolarHBondContact O-N 2.99Å; E186-K189 PolarHBondContact O-N 3.12Å; E186-L190 PolarHBondContact O-N 3.29Å
187	L	94.4	Very high	95.7	Very high	81 Å²	81	45.7 Å²	45.7	42%	0.424	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-36.3	178.2	-176.6	60.3	0	0	0	111.8	W183 K189 L190 A191 L253 L256	W183-L187 VanDerWaalsContact O-CB 3.24Å; W183-L187 WeakPolarHBondContact O-CB 3.37Å; W183-L187 PolarHBondContact O-N 3.28Å; L187-K189 VanDerWaalsContact C-N 3.26Å; L187-K189 PolarHBondContact O-N 3.47Å; L187-L190 PolarHBondContact O-N 2.84Å; L187-A191 VanDerWaalsContact O-CB 3.31Å; L187-A191 WeakPolarHBondContact O-CB 3.34Å; L187-A191 PolarHBondContact O-N 3.5Å; L187-L253 HydrophobicContact CD1-CD1 3.96Å; L187-L256 HydrophobicContact CD1-CD2 4.17Å
188	S	96.3	Very high	95.6	Very high	45 Å²	45	46.6 Å²	46.6	32%	0.315	25%	0.245	S	C	.	.	H	α-helix	trans	-60.5	-33.8	177.6	-67	0	0	0	0	112.7	S184 S185 E186 A192	S184-S188 VanDerWaalsContact O-CB 3.23Å; S184-S188 WeakPolarHBondContact O-CB 3.23Å; S184-S188 PolarHBondContact O-N 2.93Å; S184-S188 PolarHBondContact O-OG 2.97Å; S185-S188 PolarHBondContact O-N 3.47Å; E186-S188 VanDerWaalsContact C-N 3.31Å; E186-S188 PolarHBondContact O-N 2.99Å; S188-A192 WeakPolarHBondContact O-CB 3.39Å; S188-A192 PolarHBondContact O-N 3.45Å
189	K	93.5	Very high	95.6	Very high	27 Å²	27	45.4 Å²	45.4	12%	0.117	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-47.7	174.1	174.2	58.2	176.6	-167.1	0	111.7	P129 E130 F131 S185 E186 L187 N193	P129-K189 HydrophobicContact CB-CB 3.76Å; P129-K189 HydrophobicContact CB-CD 4.27Å; P129-K189 HydrophobicContact CB-CG 4.09Å; P129-K189 HydrophobicContact CG-CB 4.4Å; E130-K189 PolarHBondContact O-NZ 3.08Å; E130-K189 IonicContact OE1-NZ 3.9Å; E130-K189 PolarHBondContact OE1-NZ 2.93Å; F131-K189 HydrophobicContact CD1-CD 4.16Å; F131-K189 HydrophobicContact CE1-CD 3.85Å; F131-K189 HydrophobicContact CZ-CD 4.46Å; S185-K189 PolarHBondContact O-N 3.15Å; E186-K189 PolarHBondContact O-N 3.12Å; L187-K189 VanDerWaalsContact C-N 3.26Å; L187-K189 PolarHBondContact O-N 3.47Å; K189-N193 PolarHBondContact O-N 3.1Å
190	L	93.7	Very high	95.6	Very high	28 Å²	28	42.6 Å²	42.6	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-48.1	178.5	-59.1	-177.3	0	0	0	110.8	E186 L187 A192 N193 A194 D249 N252 L253	E186-L190 PolarHBondContact O-N 3.29Å; L187-L190 PolarHBondContact O-N 2.84Å; L190-A192 PolarHBondContact O-N 3.09Å; L190-N193 PolarHBondContact O-N 3.41Å; L190-A194 WeakPolarHBondContact O-CB 3.14Å; L190-A194 PolarHBondContact O-N 3.3Å; L190-D249 HydrophobicContact CD2-CB 3.82Å; L190-N252 HydrophobicContact CD2-CB 4.2Å; L190-L253 HydrophobicContact CB-CB 4.44Å
191	A	96.7	Very high	95.7	Very high	31 Å²	31	40.7 Å²	40.7	26%	0.256	21%	0.208	S	C	.	.	H	α-helix	trans	-60.5	-45	179.4	0	0	0	0	0	111.8	L187 N193 A194 F195	L187-A191 VanDerWaalsContact O-CB 3.31Å; L187-A191 WeakPolarHBondContact O-CB 3.34Å; L187-A191 PolarHBondContact O-N 3.5Å; A191-N193 PolarHBondContact O-N 2.77Å; A191-A194 PolarHBondContact O-N 3.3Å; A191-F195 WeakPolarHBondContact O-CB 3.17Å; A191-F195 WeakPolarHBondContact O-CD2 3.36Å; A191-F195 PolarHBondContact O-N 3.41Å
192	A	97.1	Very high	95.8	Very high	26 Å²	26	41.9 Å²	41.9	22%	0.215	21%	0.214	C	C	.	.	H	α-helix	trans	-58.2	-47.3	178.2	0	0	0	0	0	112	F131 S188 L190 F195 L196	F131-A192 HydrophobicContact CE1-CB 3.91Å; S188-A192 WeakPolarHBondContact O-CB 3.39Å; S188-A192 PolarHBondContact O-N 3.45Å; L190-A192 PolarHBondContact O-N 3.09Å; A192-F195 PolarHBondContact O-N 3.05Å; A192-L196 WeakPolarHBondContact O-CG 3.44Å; A192-L196 PolarHBondContact O-N 3.49Å; A192-L196 VanDerWaalsContact O-N 3.09Å
193	N	95.4	Very high	96.2	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.07	21%	0.211	C	C	.	.	H	α-helix	trans	-68.5	-37.5	179.1	-81	-6.2	0	0	0	112.4	K189 L190 A191 L196 A197 F246 D249	K189-N193 PolarHBondContact O-N 3.1Å; L190-N193 PolarHBondContact O-N 3.41Å; A191-N193 PolarHBondContact O-N 2.77Å; N193-L196 PolarHBondContact O-N 2.87Å; N193-A197 WeakPolarHBondContact O-CB 3.43Å; N193-A197 PolarHBondContact O-N 3.07Å; N193-F246 HydrophobicContact CB-CD1 4.06Å; N193-F246 HydrophobicContact CB-CE1 4.45Å; N193-D249 HydrophobicContact CB-CB 4.11Å; N193-D249 PolarHBondContact ND2-OD2 2.91Å
194	A	97.4	Very high	96.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-44.8	174.4	0	0	0	0	0	111.8	L190 A191 A197 Q198 I250 L253 W269	L190-A194 WeakPolarHBondContact O-CB 3.14Å; L190-A194 PolarHBondContact O-N 3.3Å; A191-A194 PolarHBondContact O-N 3.3Å; A194-A197 PolarHBondContact O-N 2.88Å; A194-Q198 VanDerWaalsContact O-CB 3.24Å; A194-Q198 WeakPolarHBondContact O-CB 3.33Å; A194-Q198 PolarHBondContact O-N 2.78Å; A194-I250 HydrophobicContact CB-CG1 4.13Å; A194-L253 HydrophobicContact CB-CD2 3.77Å; A194-W269 HydrophobicContact CB-CD2 4.49Å; A194-W269 HydrophobicContact CB-CE3 3.82Å; A194-W269 HydrophobicContact CB-CH2 4.32Å; A194-W269 HydrophobicContact CB-CZ3 3.73Å
195	F	98.2	Very high	96.7	Very high	119 Å²	119	33.8 Å²	33.8	52%	0.522	18%	0.183	S	C	.	.	H	α-helix	trans	-64.1	-41.7	177.3	-86.8	-119.6	0	0	0	112.2	A191 A192 Q198 R199 W269	A191-F195 WeakPolarHBondContact O-CB 3.17Å; A191-F195 WeakPolarHBondContact O-CD2 3.36Å; A191-F195 PolarHBondContact O-N 3.41Å; A192-F195 PolarHBondContact O-N 3.05Å; F195-Q198 PolarHBondContact O-N 3.17Å; F195-R199 WeakPolarHBondContact O-CG 3.04Å; F195-R199 PolarHBondContact O-N 2.74Å; F195-R199 VanDerWaalsContact O-N 3.12Å; F195-W269 AromaticContact CD2-CH2 3.9Å; F195-W269 HydrophobicContact CD2-CH2 3.9Å; F195-W269 HydrophobicContact CD2-CZ3 4.49Å; F195-W269 AromaticContact CE2-CH2 3.68Å; F195-W269 HydrophobicContact CE2-CH2 3.68Å; F195-W269 HydrophobicContact CE2-CZ2 4.32Å
196	L	97.4	Very high	96.8	Very high	47 Å²	47	37.3 Å²	37.3	25%	0.246	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-46.6	177.6	-68.1	176.9	0	0	0	112.2	A192 N193 Q198 R199 I200 Y234 F246	A192-L196 WeakPolarHBondContact O-CG 3.44Å; A192-L196 PolarHBondContact O-N 3.49Å; A192-L196 VanDerWaalsContact O-N 3.09Å; N193-L196 PolarHBondContact O-N 2.87Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; L196-R199 PolarHBondContact O-N 2.81Å; L196-I200 PolarHBondContact O-N 3.39Å; L196-Y234 HydrophobicContact CB-CD1 4.24Å; L196-Y234 HydrophobicContact CB-CE1 4.15Å; L196-Y234 HydrophobicContact CD1-CE1 4.48Å; L196-Y234 HydrophobicContact CD1-CE2 4.32Å; L196-Y234 HydrophobicContact CD2-CD1 4.39Å; L196-Y234 HydrophobicContact CD2-CD2 3.62Å; L196-Y234 HydrophobicContact CD2-CE1 4.38Å; L196-Y234 HydrophobicContact CD2-CE2 3.6Å; L196-Y234 HydrophobicContact CD2-CG 4.04Å; L196-Y234 HydrophobicContact CG-CE2 4.44Å; L196-F246 HydrophobicContact CB-CE1 4.09Å; L196-F246 HydrophobicContact CB-CZ 3.97Å; L196-F246 HydrophobicContact CD1-CE1 4.33Å; L196-F246 HydrophobicContact CD1-CZ 4.46Å
197	A	97.8	Very high	97.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-34	178	0	0	0	0	0	112.6	N193 A194 R199 I200 S201 F241 F246 I250 I272	N193-A197 WeakPolarHBondContact O-CB 3.43Å; N193-A197 PolarHBondContact O-N 3.07Å; A194-A197 PolarHBondContact O-N 2.88Å; A197-R199 VanDerWaalsContact C-N 3.33Å; A197-R199 PolarHBondContact O-N 3.47Å; A197-I200 PolarHBondContact O-N 3.46Å; A197-S201 WeakPolarHBondContact O-CB 3.42Å; A197-S201 PolarHBondContact O-N 2.93Å; A197-S201 PolarHBondContact O-OG 3.34Å; A197-F241 HydrophobicContact CB-CD1 4.28Å; A197-F241 HydrophobicContact CB-CE1 4Å; A197-F241 HydrophobicContact CB-CZ 4.17Å; A197-F246 HydrophobicContact CB-CB 4.04Å; A197-F246 HydrophobicContact CB-CD2 4.02Å; A197-F246 HydrophobicContact CB-CG 3.96Å; A197-I250 HydrophobicContact CB-CD1 3.44Å; A197-I250 VanDerWaalsContact CB-CD1 3.44Å; A197-I272 HydrophobicContact CB-CG2 4.16Å
198	Q	98.2	Very high	97.3	Very high	29 Å²	29	31.9 Å²	31.9	14%	0.136	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-43	171.3	-174	-173.4	84.7	0	0	111.3	A194 F195 L196 I200 S201 N202 Y268 I272	A194-Q198 VanDerWaalsContact O-CB 3.24Å; A194-Q198 WeakPolarHBondContact O-CB 3.33Å; A194-Q198 PolarHBondContact O-N 2.78Å; F195-Q198 PolarHBondContact O-N 3.17Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; Q198-I200 PolarHBondContact O-N 3.09Å; Q198-S201 CarbonylContact O-C 3.59Å; Q198-S201 WeakPolarHBondContact O-CA 3.46Å; Q198-S201 WeakPolarHBondContact O-CB 3.3Å; Q198-S201 PolarHBondContact O-N 3.04Å; Q198-N202 VanDerWaalsContact O-CG 3.26Å; Q198-N202 PolarHBondContact O-N 3.17Å; Q198-N202 PolarHBondContact O-OD1 3.18Å; Q198-Y268 VanDerWaalsContact NE2-CZ 3.35Å; Q198-Y268 PolarHBondContact NE2-OH 3.02Å; Q198-I272 HydrophobicContact CB-CD1 3.65Å; Q198-I272 HydrophobicContact CB-CG1 4.45Å; Q198-I272 HydrophobicContact CG-CD1 4.08Å
199	R	98.2	Very high	97.4	Very high	55 Å²	55	34.2 Å²	34.2	21%	0.208	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-42.9	178.9	-69.5	175.8	66.8	82.7	1.9	112.4	F195 L196 A197 S201 N202 V203 I230 G231 K233 Y234	F195-R199 WeakPolarHBondContact O-CG 3.04Å; F195-R199 PolarHBondContact O-N 2.74Å; F195-R199 VanDerWaalsContact O-N 3.12Å; L196-R199 PolarHBondContact O-N 2.81Å; A197-R199 VanDerWaalsContact C-N 3.33Å; A197-R199 PolarHBondContact O-N 3.47Å; R199-S201 VanDerWaalsContact C-N 3.27Å; R199-S201 PolarHBondContact O-N 2.71Å; R199-N202 PolarHBondContact O-N 3.36Å; R199-V203 PolarHBondContact O-N 2.76Å; R199-V203 VanDerWaalsContact O-N 3.09Å; R199-I230 VanDerWaalsContact CZ-O 3.24Å; R199-I230 PolarHBondContact NH1-O 3.21Å; R199-I230 PolarHBondContact NH2-O 3.41Å; R199-G231 PolarHBondContact NH2-O 2.98Å; R199-K233 PolarHBondContact NE-O 3.07Å; R199-K233 PolarHBondContact NH2-O 3.47Å; R199-Y234 CarbonylContact C-O 3.53Å; R199-Y234 WeakPolarHBondContact CB-O 3.41Å
200	I	98	Very high	97.7	Very high	19 Å²	19	33 Å²	33	10%	0.097	18%	0.179	C	C	.	.	H	α-helix	trans	-59.2	-43	172.3	-60.8	174.4	0	0	0	110.1	L196 A197 Q198 V203 N204 Y234 F241 F246	L196-I200 PolarHBondContact O-N 3.39Å; A197-I200 PolarHBondContact O-N 3.46Å; Q198-I200 PolarHBondContact O-N 3.09Å; I200-V203 VanDerWaalsContact O-CG1 3.24Å; I200-V203 WeakPolarHBondContact O-CG1 3.04Å; I200-V203 PolarHBondContact O-N 3.27Å; I200-N204 WeakPolarHBondContact O-CB 3.5Å; I200-N204 VanDerWaalsContact O-CG 3.23Å; I200-N204 PolarHBondContact O-N 3.02Å; I200-N204 PolarHBondContact O-ND2 3.27Å; I200-Y234 HydrophobicContact CD1-CD1 3.81Å; I200-Y234 HydrophobicContact CD1-CE1 4.31Å; I200-Y234 HydrophobicContact CG1-CD1 3.86Å; I200-F241 HydrophobicContact CB-CD1 4.38Å; I200-F241 HydrophobicContact CD1-CB 3.77Å; I200-F241 HydrophobicContact CG2-CB 4.31Å; I200-F241 HydrophobicContact CG2-CD1 4.22Å; I200-F246 HydrophobicContact CD1-CD2 4.42Å; I200-F246 HydrophobicContact CD1-CE2 3.81Å
201	S	98.5	Very high	97.7	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.028	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-41.4	179.4	-62	0	0	0	0	112.1	A197 Q198 R199 N204 A205 I272 L275	A197-S201 WeakPolarHBondContact O-CB 3.42Å; A197-S201 PolarHBondContact O-N 2.93Å; A197-S201 PolarHBondContact O-OG 3.34Å; Q198-S201 CarbonylContact O-C 3.59Å; Q198-S201 WeakPolarHBondContact O-CA 3.46Å; Q198-S201 WeakPolarHBondContact O-CB 3.3Å; Q198-S201 PolarHBondContact O-N 3.04Å; R199-S201 VanDerWaalsContact C-N 3.27Å; R199-S201 PolarHBondContact O-N 2.71Å; S201-N204 PolarHBondContact O-N 2.8Å; S201-A205 WeakPolarHBondContact O-CB 3.31Å; S201-A205 PolarHBondContact O-N 3.05Å; S201-I272 WeakPolarHBondContact OG-CG2 3.27Å; S201-L275 VanDerWaalsContact O-CD2 3.25Å; S201-L275 WeakPolarHBondContact O-CD2 3.45Å
202	N	98.4	Very high	97.6	Very high	87 Å²	87	38.5 Å²	38.5	47%	0.465	20%	0.202	S	C	.	.	H	α-helix	trans	-59.6	-49.8	175.5	-68.9	-10.4	0	0	0	111	Q198 R199 N204 A205 I206	Q198-N202 VanDerWaalsContact O-CG 3.26Å; Q198-N202 PolarHBondContact O-N 3.17Å; Q198-N202 PolarHBondContact O-OD1 3.18Å; R199-N202 PolarHBondContact O-N 3.36Å; N202-N204 VanDerWaalsContact C-N 3.32Å; N202-N204 PolarHBondContact O-N 3.14Å; N202-A205 PolarHBondContact O-N 2.81Å; N202-I206 WeakPolarHBondContact O-CG1 3.48Å; N202-I206 PolarHBondContact O-N 2.88Å; N202-I206 VanDerWaalsContact O-N 3.1Å
203	V	98.5	Very high	97.5	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.036	21%	0.21	C	C	.	.	H	α-helix	trans	-68.5	-33.1	-180	73.5	0	0	0	0	112.1	R199 I200 I206 S207 I217 L235 A237	R199-V203 PolarHBondContact O-N 2.76Å; R199-V203 VanDerWaalsContact O-N 3.09Å; I200-V203 VanDerWaalsContact O-CG1 3.24Å; I200-V203 WeakPolarHBondContact O-CG1 3.04Å; I200-V203 PolarHBondContact O-N 3.27Å; V203-I206 PolarHBondContact O-N 2.92Å; V203-S207 WeakPolarHBondContact O-CB 3.45Å; V203-S207 PolarHBondContact O-N 2.98Å; V203-I217 HydrophobicContact CG2-CD1 3.64Å; V203-I217 HydrophobicContact CG2-CG1 3.69Å; V203-L235 WeakPolarHBondContact CG2-O 3.39Å; V203-A237 HydrophobicContact CG2-CB 4.23Å
204	N	98.5	Very high	97.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-69.6	-33.9	174.4	-75.2	-13.8	0	0	0	112.9	I200 S201 N202 S207 S208 A237 S238 Q279	I200-N204 WeakPolarHBondContact O-CB 3.5Å; I200-N204 VanDerWaalsContact O-CG 3.23Å; I200-N204 PolarHBondContact O-N 3.02Å; I200-N204 PolarHBondContact O-ND2 3.27Å; S201-N204 PolarHBondContact O-N 2.8Å; N202-N204 VanDerWaalsContact C-N 3.32Å; N202-N204 PolarHBondContact O-N 3.14Å; N204-S207 PolarHBondContact O-OG 3.01Å; N204-S208 PolarHBondContact O-N 3.4Å; N204-A237 WeakPolarHBondContact OD1-CA 3.31Å; N204-S238 PolarHBondContact ND2-O 2.98Å; N204-S238 PolarHBondContact OD1-N 2.73Å; N204-S238 PolarHBondContact OD1-O 3.4Å; N204-S238 VanDerWaalsContact OD1-O 3.07Å; N204-Q279 HydrophobicContact CB-CG 4.33Å
205	A	98.5	Very high	97.3	Very high	34 Å²	34	45.5 Å²	45.5	28%	0.281	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-49.4	171.4	0	0	0	0	0	110.5	S201 N202 S207 S208 L275	S201-A205 WeakPolarHBondContact O-CB 3.31Å; S201-A205 PolarHBondContact O-N 3.05Å; N202-A205 PolarHBondContact O-N 2.81Å; A205-S207 VanDerWaalsContact C-N 3.32Å; A205-S207 PolarHBondContact O-N 3.44Å; A205-S208 PolarHBondContact O-N 3.25Å; A205-S208 PolarHBondContact O-OG 2.96Å; A205-L275 HydrophobicContact CB-CD2 3.91Å
206	I	98.6	Very high	97.3	Very high	74 Å²	74	41.1 Å²	41.1	38%	0.379	25%	0.246	S	C	.	.	H	α-helix	trans	-66.5	-34.7	179.6	-59.8	-59.6	0	0	0	111.7	N202 V203 S208 I209 C210 I217 V220	N202-I206 WeakPolarHBondContact O-CG1 3.48Å; N202-I206 PolarHBondContact O-N 2.88Å; N202-I206 VanDerWaalsContact O-N 3.1Å; V203-I206 PolarHBondContact O-N 2.92Å; I206-S208 PolarHBondContact O-N 2.84Å; I206-I209 HydrophobicContact CD1-CD1 4.1Å; I206-I209 WeakPolarHBondContact O-CA 3.49Å; I206-I209 WeakPolarHBondContact O-CB 3.4Å; I206-I209 PolarHBondContact O-N 3.26Å; I206-C210 PolarHBondContact O-N 3.13Å; I206-C210 VanDerWaalsContact O-N 3.1Å; I206-I217 HydrophobicContact CB-CD1 4.02Å; I206-I217 HydrophobicContact CG2-CD1 3.74Å; I206-V220 HydrophobicContact CG2-CG1 4.15Å
207	S	98.3	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.6	-35.2	178.1	80.1	0	0	0	0	112	V203 N204 A205 I209 C210 E211 G426	V203-S207 WeakPolarHBondContact O-CB 3.45Å; V203-S207 PolarHBondContact O-N 2.98Å; N204-S207 PolarHBondContact O-OG 3.01Å; A205-S207 VanDerWaalsContact C-N 3.32Å; A205-S207 PolarHBondContact O-N 3.44Å; S207-I209 VanDerWaalsContact C-N 3.27Å; S207-I209 PolarHBondContact O-N 3.24Å; S207-C210 WeakPolarHBondContact O-CB 3.48Å; S207-C210 PolarHBondContact O-N 3.17Å; S207-C210 VanDerWaalsContact O-N 3.15Å; S207-E211 WeakPolarHBondContact O-CG 3.4Å; S207-E211 PolarHBondContact O-N 3.28Å; S207-G426 WeakPolarHBondContact O-CA 3.25Å
208	S	97	Very high	97.3	Very high	25 Å²	25	44 Å²	44	18%	0.175	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-30.9	174.7	76	0	0	0	0	113.5	N204 A205 I206	N204-S208 PolarHBondContact O-N 3.4Å; A205-S208 PolarHBondContact O-N 3.25Å; A205-S208 PolarHBondContact O-OG 2.96Å; I206-S208 PolarHBondContact O-N 2.84Å
209	I	98.1	Very high	97.3	Very high	93 Å²	93	49.2 Å²	49.2	48%	0.477	28%	0.278	S	S	.	.	H	α-helix	trans	-71.8	-43.2	173.3	-56.7	173.8	0	0	0	109.7	I206 S207 E211 L212 T213	I206-I209 HydrophobicContact CD1-CD1 4.1Å; I206-I209 WeakPolarHBondContact O-CA 3.49Å; I206-I209 WeakPolarHBondContact O-CB 3.4Å; I206-I209 PolarHBondContact O-N 3.26Å; S207-I209 VanDerWaalsContact C-N 3.27Å; S207-I209 PolarHBondContact O-N 3.24Å; I209-E211 VanDerWaalsContact C-N 3.28Å; I209-E211 PolarHBondContact O-N 3.05Å; I209-L212 PolarHBondContact O-N 3.22Å; I209-T213 HydrophobicContact CG2-CG2 4.04Å; I209-T213 WeakPolarHBondContact O-CB 3.43Å; I209-T213 VanDerWaalsContact O-CG2 3.27Å; I209-T213 WeakPolarHBondContact O-CG2 3.32Å; I209-T213 PolarHBondContact O-N 3.15Å; I209-T213 PolarHBondContact O-OG1 2.65Å
210	C	98.2	Very high	97.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.014	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-39.2	177.7	-64.8	0	0	0	0	112.3	I206 S207 L212 T213 A215 I217 G426	I206-C210 PolarHBondContact O-N 3.13Å; I206-C210 VanDerWaalsContact O-N 3.1Å; S207-C210 WeakPolarHBondContact O-CB 3.48Å; S207-C210 PolarHBondContact O-N 3.17Å; S207-C210 VanDerWaalsContact O-N 3.15Å; C210-L212 VanDerWaalsContact C-N 3.3Å; C210-L212 PolarHBondContact O-N 2.86Å; C210-T213 WeakPolarHBondContact CA-OG1 3.24Å; C210-T213 CarbonylContact O-C 3.58Å; C210-T213 PolarHBondContact O-N 3.18Å; C210-T213 PolarHBondContact O-OG1 3.42Å; C210-A215 HydrophobicContact CB-CB 4.37Å; C210-A215 VanDerWaalsContact CB-O 3.32Å; C210-A215 WeakPolarHBondContact CB-O 3.43Å; C210-I217 HydrophobicContact CB-CB 4.35Å; C210-G426 WeakPolarHBondContact CB-O 3.45Å
211	E	95	Very high	97.4	Very high	33 Å²	33	48.5 Å²	48.5	15%	0.154	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-29.1	178.1	-69.2	171.4	-136.7	0	0	114.1	S207 I209 R282 I425 G426	S207-E211 WeakPolarHBondContact O-CG 3.4Å; S207-E211 PolarHBondContact O-N 3.28Å; I209-E211 VanDerWaalsContact C-N 3.28Å; I209-E211 PolarHBondContact O-N 3.05Å; E211-R282 VanDerWaalsContact CD-NH1 3.31Å; E211-R282 IonicContact OE1-CZ 2.96Å; E211-R282 IonicContact OE1-NH1 3.55Å; E211-R282 PolarHBondContact OE1-NH1 3.43Å; E211-R282 IonicContact OE1-NH2 3.71Å; E211-R282 PolarHBondContact OE1-NH2 3.4Å; E211-R282 IonicContact OE2-CZ 2.73Å; E211-R282 IonicContact OE2-NH1 3.62Å; E211-R282 PolarHBondContact OE2-NH1 3.27Å; E211-R282 IonicContact OE2-NH2 2.71Å; E211-I425 WeakPolarHBondContact OE1-CA 3.34Å; E211-G426 PolarHBondContact OE1-N 3.02Å
212	L	94	Very high	97.4	Very high	142 Å²	142	53.1 Å²	53.1	74%	0.743	31%	0.31	S	S	*	.	H	α-helix	trans	-92.2	-16.2	179.2	-63.1	179.5	0	0	0	112.9	I209 C210	I209-L212 PolarHBondContact O-N 3.22Å; C210-L212 VanDerWaalsContact C-N 3.3Å; C210-L212 PolarHBondContact O-N 2.86Å
213	T	94.6	Very high	97.4	Very high	60 Å²	60	52 Å²	52	37%	0.368	31%	0.313	S	S	.	.	S	Bend	trans	-110.3	-168.1	-177.9	62.9	0	0	0	0	110.8	I209 C210 A215 K428	I209-T213 HydrophobicContact CG2-CG2 4.04Å; I209-T213 WeakPolarHBondContact O-CB 3.43Å; I209-T213 VanDerWaalsContact O-CG2 3.27Å; I209-T213 WeakPolarHBondContact O-CG2 3.32Å; I209-T213 PolarHBondContact O-N 3.15Å; I209-T213 PolarHBondContact O-OG1 2.65Å; C210-T213 WeakPolarHBondContact CA-OG1 3.24Å; C210-T213 CarbonylContact O-C 3.58Å; C210-T213 PolarHBondContact O-N 3.18Å; C210-T213 PolarHBondContact O-OG1 3.42Å; T213-A215 PolarHBondContact OG1-N 2.96Å; T213-K428 WeakPolarHBondContact O-CB 3.41Å; T213-K428 WeakPolarHBondContact O-CD 3.34Å
214	G	91.2	Very high	97.4	Very high	85 Å²	85	55.1 Å²	55.1	88%	0.876	33%	0.329	S	S	*	.	S	Bend	trans	-93.8	6.9	171.8	0	0	0	0	0	113.9
215	A	98	Very high	97.4	Very high	40 Å²	40	55.2 Å²	55.2	33%	0.331	33%	0.329	S	S	.	.			trans	-81.1	150.7	-177	0	0	0	0	0	112	C210 T213	C210-A215 HydrophobicContact CB-CB 4.37Å; C210-A215 VanDerWaalsContact CB-O 3.32Å; C210-A215 WeakPolarHBondContact CB-O 3.43Å; T213-A215 PolarHBondContact OG1-N 2.96Å
216	D	97.9	Very high	97.3	Very high	27 Å²	27	57.9 Å²	57.9	14%	0.144	35%	0.346	C	S	.	.			trans	-107.8	122.4	172.7	-172.6	-40	0	0	0	110.2	R218 E219 V220 V427	D216-R218 PolarHBondContact O-N 3.35Å; D216-R218 VanDerWaalsContact O-N 3.17Å; D216-R218 WeakPolarHBondContact OD1-CA 3.49Å; D216-R218 WeakPolarHBondContact OD1-CB 3.18Å; D216-R218 WeakPolarHBondContact OD1-CG 3.49Å; D216-R218 IonicContact OD1-CZ 2.68Å; D216-R218 PolarHBondContact OD1-N 2.97Å; D216-R218 IonicContact OD1-NE 3.9Å; D216-R218 PolarHBondContact OD1-NE 3.12Å; D216-R218 IonicContact OD1-NH2 3.89Å; D216-R218 IonicContact OD2-CZ 2.87Å; D216-R218 IonicContact OD2-NE 2.75Å; D216-R218 PolarHBondContact OD2-NE 2.91Å; D216-R218 VanDerWaalsContact OD2-NE 3.15Å; D216-R218 IonicContact OD2-NH2 3.75Å; D216-R218 PolarHBondContact OD2-NH2 3.18Å; D216-E219 HydrophobicContact CB-CB 4.3Å; D216-E219 HydrophobicContact CB-CG 4Å; D216-E219 WeakPolarHBondContact O-CB 3.39Å; D216-E219 PolarHBondContact O-N 3.2Å; D216-E219 VanDerWaalsContact O-N 3.09Å; D216-V220 WeakPolarHBondContact O-CG2 2.99Å; D216-V220 PolarHBondContact O-N 3.11Å; D216-V427 HydrophobicContact CB-CG1 4.11Å; D216-V427 VanDerWaalsContact CG-CG1 3.4Å; D216-V427 WeakPolarHBondContact OD1-CG1 3.42Å; D216-V427 WeakPolarHBondContact OD2-CG1 3.44Å
217	I	98.3	Very high	97.3	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-61	-27	-178.3	-168.3	56.8	0	0	0	113.1	V203 I206 C210 V220 A221 A237 L408 G426	V203-I217 HydrophobicContact CG2-CD1 3.64Å; V203-I217 HydrophobicContact CG2-CG1 3.69Å; I206-I217 HydrophobicContact CB-CD1 4.02Å; I206-I217 HydrophobicContact CG2-CD1 3.74Å; C210-I217 HydrophobicContact CB-CB 4.35Å; I217-V220 HydrophobicContact CD1-CB 4.4Å; I217-V220 PolarHBondContact O-N 3.46Å; I217-A221 WeakPolarHBondContact O-CB 3.13Å; I217-A221 PolarHBondContact O-N 2.93Å; I217-A237 HydrophobicContact CB-CB 4.5Å; I217-A237 HydrophobicContact CG1-CB 3.8Å; I217-A237 HydrophobicContact CG2-CB 3.91Å; I217-L408 HydrophobicContact CG2-CD1 3.31Å; I217-G426 WeakPolarHBondContact CB-O 3.45Å; I217-G426 WeakPolarHBondContact CG2-O 3.43Å; I217-G426 PolarHBondContact N-O 3.19Å
218	R	97.7	Very high	97.3	Very high	107 Å²	107	62 Å²	62	40%	0.404	38%	0.378	S	S	.	.	H	α-helix	trans	-69.6	-37.9	177.7	-58.9	170.8	-72	-165.7	0.6	111.1	D216 T222 L408	D216-R218 PolarHBondContact O-N 3.35Å; D216-R218 VanDerWaalsContact O-N 3.17Å; D216-R218 WeakPolarHBondContact OD1-CA 3.49Å; D216-R218 WeakPolarHBondContact OD1-CB 3.18Å; D216-R218 WeakPolarHBondContact OD1-CG 3.49Å; D216-R218 IonicContact OD1-CZ 2.68Å; D216-R218 PolarHBondContact OD1-N 2.97Å; D216-R218 IonicContact OD1-NE 3.9Å; D216-R218 PolarHBondContact OD1-NE 3.12Å; D216-R218 IonicContact OD1-NH2 3.89Å; D216-R218 IonicContact OD2-CZ 2.87Å; D216-R218 IonicContact OD2-NE 2.75Å; D216-R218 PolarHBondContact OD2-NE 2.91Å; D216-R218 VanDerWaalsContact OD2-NE 3.15Å; D216-R218 IonicContact OD2-NH2 3.75Å; D216-R218 PolarHBondContact OD2-NH2 3.18Å; R218-T222 VanDerWaalsContact O-CB 3.29Å; R218-T222 WeakPolarHBondContact O-CB 3.3Å; R218-T222 PolarHBondContact O-N 3.29Å; R218-T222 PolarHBondContact O-OG1 2.92Å; R218-L408 HydrophobicContact CG-CD1 4.13Å
219	E	98.5	Very high	97.3	Very high	137 Å²	137	71.1 Å²	71.1	64%	0.64	41%	0.409	S	S	*	.	H	α-helix	trans	-68.6	-46.8	174.7	-66	-177.9	-167.7	0	0	110.2	D216 A221 T222 A223	D216-E219 HydrophobicContact CB-CB 4.3Å; D216-E219 HydrophobicContact CB-CG 4Å; D216-E219 WeakPolarHBondContact O-CB 3.39Å; D216-E219 PolarHBondContact O-N 3.2Å; D216-E219 VanDerWaalsContact O-N 3.09Å; E219-A221 PolarHBondContact O-N 3.08Å; E219-T222 PolarHBondContact O-N 3.44Å; E219-A223 VanDerWaalsContact O-CB 3.31Å; E219-A223 WeakPolarHBondContact O-CB 3.36Å; E219-A223 PolarHBondContact O-N 3.32Å
220	V	98.6	Very high	97.2	Very high	47 Å²	47	70 Å²	70	29%	0.285	40%	0.403	S	S	.	.	H	α-helix	trans	-59.8	-47.7	176.8	177.6	0	0	0	0	111.1	I206 D216 I217 T222 A223 I224	I206-V220 HydrophobicContact CG2-CG1 4.15Å; D216-V220 WeakPolarHBondContact O-CG2 2.99Å; D216-V220 PolarHBondContact O-N 3.11Å; I217-V220 HydrophobicContact CD1-CB 4.4Å; I217-V220 PolarHBondContact O-N 3.46Å; V220-T222 PolarHBondContact O-N 3.17Å; V220-A223 PolarHBondContact O-N 2.78Å; V220-I224 WeakPolarHBondContact O-CG1 3.04Å; V220-I224 PolarHBondContact O-N 2.83Å
221	A	98.3	Very high	97.1	Very high	13 Å²	13	71 Å²	71	11%	0.107	41%	0.414	C	S	.	.	H	α-helix	trans	-61.7	-43	178.6	0	0	0	0	0	112.1	I217 E219 G225 L235	I217-A221 WeakPolarHBondContact O-CB 3.13Å; I217-A221 PolarHBondContact O-N 2.93Å; E219-A221 PolarHBondContact O-N 3.08Å; A221-G225 WeakPolarHBondContact O-CA 3.21Å; A221-G225 PolarHBondContact O-N 3.48Å; A221-L235 HydrophobicContact CB-CB 4.06Å; A221-L235 WeakPolarHBondContact CB-O 3.28Å
222	T	98.5	Very high	97.2	Very high	101 Å²	101	78.8 Å²	78.8	62%	0.62	44%	0.442	S	S	*	.	H	α-helix	trans	-61.4	-47.1	174	-62.5	0	0	0	0	111.4	R218 E219 V220 G225 S226	R218-T222 VanDerWaalsContact O-CB 3.29Å; R218-T222 WeakPolarHBondContact O-CB 3.3Å; R218-T222 PolarHBondContact O-N 3.29Å; R218-T222 PolarHBondContact O-OG1 2.92Å; E219-T222 PolarHBondContact O-N 3.44Å; V220-T222 PolarHBondContact O-N 3.17Å; T222-G225 PolarHBondContact O-N 3.34Å; T222-S226 PolarHBondContact O-N 3.45Å; T222-S226 VanDerWaalsContact O-N 3.11Å
223	A	98.6	Very high	97.3	Very high	62 Å²	62	79.2 Å²	79.2	51%	0.512	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-53	-177.9	0	0	0	0	0	111.3	E219 V220 S226	E219-A223 VanDerWaalsContact O-CB 3.31Å; E219-A223 WeakPolarHBondContact O-CB 3.36Å; E219-A223 PolarHBondContact O-N 3.32Å; V220-A223 PolarHBondContact O-N 2.78Å; A223-S226 WeakPolarHBondContact O-CB 3.21Å; A223-S226 PolarHBondContact O-N 2.97Å; A223-S226 PolarHBondContact O-OG 3.47Å
224	I	98.4	Very high	97.4	Very high	73 Å²	73	80.3 Å²	80.3	37%	0.374	44%	0.436	S	S	.	.	H	α-helix	trans	-71.1	-34	-179.8	72.7	179.3	0	0	0	112.2	V220 S226 D227 I230 L235	V220-I224 WeakPolarHBondContact O-CG1 3.04Å; V220-I224 PolarHBondContact O-N 2.83Å; I224-S226 PolarHBondContact O-N 2.81Å; I224-D227 WeakPolarHBondContact O-CB 3.27Å; I224-D227 PolarHBondContact O-N 3.48Å; I224-I230 HydrophobicContact CB-CD1 4.13Å; I224-L235 HydrophobicContact CD1-CD1 4.37Å; I224-L235 HydrophobicContact CG1-CD1 4.06Å
225	G	98.1	Very high	97.6	Very high	2 Å²	2	77 Å²	77	2%	0.021	40%	0.398	C	S	.	.	H	α-helix	trans	-70.5	-16.8	179.7	0	0	0	0	0	113.6	A221 T222 D227 G231 R232	A221-G225 WeakPolarHBondContact O-CA 3.21Å; A221-G225 PolarHBondContact O-N 3.48Å; T222-G225 PolarHBondContact O-N 3.34Å; G225-D227 PolarHBondContact O-N 3.26Å; G225-G231 CarbonylContact O-C 3.56Å; G225-R232 WeakPolarHBondContact O-CG 3.29Å; G225-R232 PolarHBondContact O-N 3.07Å
226	S	97.9	Very high	97.6	Very high	91 Å²	91	81.2 Å²	81.2	64%	0.636	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.7	172.8	76.2	0	0	0	0	112.9	T222 A223 I224 S228	T222-S226 PolarHBondContact O-N 3.45Å; T222-S226 VanDerWaalsContact O-N 3.11Å; A223-S226 WeakPolarHBondContact O-CB 3.21Å; A223-S226 PolarHBondContact O-N 2.97Å; A223-S226 PolarHBondContact O-OG 3.47Å; I224-S226 PolarHBondContact O-N 2.81Å; S226-S228 PolarHBondContact O-N 2.84Å
227	D	98.3	Very high	97.6	Very high	46 Å²	46	80.2 Å²	80.2	25%	0.246	41%	0.406	C	S	.	.	S	Bend	trans	-72.9	119.4	171	-169.5	-39.4	0	0	0	109.7	I224 G225 R229 I230 G231	I224-D227 WeakPolarHBondContact O-CB 3.27Å; I224-D227 PolarHBondContact O-N 3.48Å; G225-D227 PolarHBondContact O-N 3.26Å; D227-R229 PolarHBondContact O-N 3.32Å; D227-R229 VanDerWaalsContact O-N 3.17Å; D227-R229 VanDerWaalsContact OD1-CB 3.27Å; D227-R229 WeakPolarHBondContact OD1-CB 3.3Å; D227-R229 WeakPolarHBondContact OD1-CG 3.33Å; D227-R229 IonicContact OD1-CZ 3.27Å; D227-R229 PolarHBondContact OD1-N 2.93Å; D227-R229 IonicContact OD1-NE 2.67Å; D227-R229 PolarHBondContact OD1-NE 3.44Å; D227-R229 IonicContact OD1-NH2 2.99Å; D227-R229 IonicContact OD2-CZ 3.18Å; D227-R229 IonicContact OD2-NE 3.14Å; D227-R229 PolarHBondContact OD2-NE 2.92Å; D227-R229 IonicContact OD2-NH2 2.82Å; D227-R229 PolarHBondContact OD2-NH2 3.35Å; D227-I230 HydrophobicContact CB-CB 4.47Å; D227-I230 HydrophobicContact CB-CD1 4.27Å; D227-I230 HydrophobicContact CB-CG1 4.32Å; D227-I230 PolarHBondContact O-N 3.49Å; D227-G231 PolarHBondContact O-N 2.94Å
228	S	97.4	Very high	97.5	Very high	115 Å²	115	80.5 Å²	80.5	80%	0.804	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.3	-177.6	59.2	0	0	0	0	113.8	S226 I230	S226-S228 PolarHBondContact O-N 2.84Å; S228-I230 VanDerWaalsContact C-N 3.3Å
229	R	97	Very high	97.5	Very high	215 Å²	215	75.4 Å²	75.4	81%	0.811	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.8	175.6	-57.8	171	-67.6	179.2	1.4	111.9	D227	D227-R229 PolarHBondContact O-N 3.32Å; D227-R229 VanDerWaalsContact O-N 3.17Å; D227-R229 VanDerWaalsContact OD1-CB 3.27Å; D227-R229 WeakPolarHBondContact OD1-CB 3.3Å; D227-R229 WeakPolarHBondContact OD1-CG 3.33Å; D227-R229 IonicContact OD1-CZ 3.27Å; D227-R229 PolarHBondContact OD1-N 2.93Å; D227-R229 IonicContact OD1-NE 2.67Å; D227-R229 PolarHBondContact OD1-NE 3.44Å; D227-R229 IonicContact OD1-NH2 2.99Å; D227-R229 IonicContact OD2-CZ 3.18Å; D227-R229 IonicContact OD2-NE 3.14Å; D227-R229 PolarHBondContact OD2-NE 2.92Å; D227-R229 IonicContact OD2-NH2 2.82Å; D227-R229 PolarHBondContact OD2-NH2 3.35Å
230	I	96.5	Very high	97.4	Very high	70 Å²	70	68.9 Å²	68.9	36%	0.359	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-48.8	177.3	-60	177.1	0	0	0	110.1	R199 I224 D227 S228 L235	R199-I230 VanDerWaalsContact CZ-O 3.24Å; R199-I230 PolarHBondContact NH1-O 3.21Å; R199-I230 PolarHBondContact NH2-O 3.41Å; I224-I230 HydrophobicContact CB-CD1 4.13Å; D227-I230 HydrophobicContact CB-CB 4.47Å; D227-I230 HydrophobicContact CB-CD1 4.27Å; D227-I230 HydrophobicContact CB-CG1 4.32Å; D227-I230 PolarHBondContact O-N 3.49Å; S228-I230 VanDerWaalsContact C-N 3.3Å; I230-L235 HydrophobicContact CG2-CD1 4.38Å
231	G	97	Very high	97.3	Very high	24 Å²	24	67 Å²	67	25%	0.247	35%	0.347	C	S	.	.			trans	73.5	158.8	-176.8	0	0	0	0	0	114.1	R199 G225 D227 L235	R199-G231 PolarHBondContact NH2-O 2.98Å; G225-G231 CarbonylContact O-C 3.56Å; D227-G231 PolarHBondContact O-N 2.94Å; G231-L235 VanDerWaalsContact O-CD1 3.29Å; G231-L235 WeakPolarHBondContact O-CD1 2.87Å
232	R	96.4	Very high	97.1	Very high	195 Å²	195	66.7 Å²	66.7	74%	0.736	35%	0.345	S	S	*	.	S	Bend	trans	-83	-22.4	-171.5	-63.7	-169.8	-67.1	-97.3	3.8	116.1	G225	G225-R232 WeakPolarHBondContact O-CG 3.29Å; G225-R232 PolarHBondContact O-N 3.07Å
233	K	95.9	Very high	96.6	Very high	152 Å²	152	62.1 Å²	62.1	66%	0.661	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	148.9	-170.7	-62.4	-174.5	177.4	-178.9	0	111.8	R199 L235	R199-K233 PolarHBondContact NE-O 3.07Å; R199-K233 PolarHBondContact NH2-O 3.47Å; K233-L235 VanDerWaalsContact C-N 3.29Å; K233-L235 PolarHBondContact O-N 2.85Å
234	Y	96.1	Very high	95.9	Very high	82 Å²	82	60.5 Å²	60.5	32%	0.322	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	36.8	177.5	-68.6	-98.8	0	0	0	112.9	L196 R199 I200 E236 F246	L196-Y234 HydrophobicContact CB-CD1 4.24Å; L196-Y234 HydrophobicContact CB-CE1 4.15Å; L196-Y234 HydrophobicContact CD1-CE1 4.48Å; L196-Y234 HydrophobicContact CD1-CE2 4.32Å; L196-Y234 HydrophobicContact CD2-CD1 4.39Å; L196-Y234 HydrophobicContact CD2-CD2 3.62Å; L196-Y234 HydrophobicContact CD2-CE1 4.38Å; L196-Y234 HydrophobicContact CD2-CE2 3.6Å; L196-Y234 HydrophobicContact CD2-CG 4.04Å; L196-Y234 HydrophobicContact CG-CE2 4.44Å; R199-Y234 CarbonylContact C-O 3.53Å; R199-Y234 WeakPolarHBondContact CB-O 3.41Å; I200-Y234 HydrophobicContact CD1-CD1 3.81Å; I200-Y234 HydrophobicContact CD1-CE1 4.31Å; I200-Y234 HydrophobicContact CG1-CD1 3.86Å; Y234-E236 WeakPolarHBondContact CA-OE2 3.33Å; Y234-E236 PolarHBondContact N-OE2 2.96Å; Y234-F246 HydrophobicContact CE1-CE2 4.2Å; Y234-F246 AromaticContact CE1-CZ 3.8Å; Y234-F246 HydrophobicContact CE1-CZ 3.8Å
235	L	97.3	Very high	95.5	Very high	15 Å²	15	58.9 Å²	58.9	8%	0.079	30%	0.297	C	S	.	.			trans	-118.8	20.3	175.2	-62.8	-179.4	0	0	0	111.2	V203 A221 I224 I230 G231 K233	V203-L235 WeakPolarHBondContact CG2-O 3.39Å; A221-L235 HydrophobicContact CB-CB 4.06Å; A221-L235 WeakPolarHBondContact CB-O 3.28Å; I224-L235 HydrophobicContact CD1-CD1 4.37Å; I224-L235 HydrophobicContact CG1-CD1 4.06Å; I230-L235 HydrophobicContact CG2-CD1 4.38Å; G231-L235 VanDerWaalsContact O-CD1 3.29Å; G231-L235 WeakPolarHBondContact O-CD1 2.87Å; K233-L235 VanDerWaalsContact C-N 3.29Å; K233-L235 PolarHBondContact O-N 2.85Å
236	E	96.2	Very high	95.2	Very high	130 Å²	130	60.1 Å²	60.1	61%	0.607	30%	0.302	S	S	*	.			trans	-87.7	108.1	173.6	-60.4	82.1	178.7	0	0	109.6	Y234	Y234-E236 WeakPolarHBondContact CA-OE2 3.33Å; Y234-E236 PolarHBondContact N-OE2 2.96Å
237	A	97.8	Very high	94.9	Very high	6 Å²	6	57.2 Å²	57.2	5%	0.05	28%	0.278	C	S	.	.			trans	-62.2	142.9	175.1	0	0	0	0	0	111.4	V203 N204 I217 L408 I425	V203-A237 HydrophobicContact CG2-CB 4.23Å; N204-A237 WeakPolarHBondContact OD1-CA 3.31Å; I217-A237 HydrophobicContact CB-CB 4.5Å; I217-A237 HydrophobicContact CG1-CB 3.8Å; I217-A237 HydrophobicContact CG2-CB 3.91Å; A237-L408 HydrophobicContact CB-CD1 4.12Å; A237-I425 HydrophobicContact CB-CG2 4.18Å
238	S	97.5	Very high	94.4	Very high	7 Å²	7	56.5 Å²	56.5	5%	0.049	27%	0.273	C	S	.	.			trans	-155.3	178.8	-177.6	62.1	0	0	0	0	111.8	N204 G240 Q279 G406 I425	N204-S238 PolarHBondContact ND2-O 2.98Å; N204-S238 PolarHBondContact OD1-N 2.73Å; N204-S238 PolarHBondContact OD1-O 3.4Å; N204-S238 VanDerWaalsContact OD1-O 3.07Å; S238-G240 PolarHBondContact O-N 3.38Å; S238-G240 VanDerWaalsContact O-N 3.15Å; S238-G240 PolarHBondContact OG-N 3.42Å; S238-Q279 WeakPolarHBondContact O-CG 3.43Å; S238-Q279 PolarHBondContact O-NE2 2.89Å; S238-G406 CarbonylContact C-O 3.47Å; S238-G406 WeakPolarHBondContact CA-O 3.4Å; S238-I425 VanDerWaalsContact C-CD1 3.41Å; S238-I425 WeakPolarHBondContact O-CD1 3.15Å
239	V	97.4	Very high	94.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-62.2	-11.2	170.2	-71.2	0	0	0	0	114.4	Q279 R280 F283 I322 L379 G406 I425	V239-Q279 WeakPolarHBondContact O-CG 3.4Å; V239-R280 WeakPolarHBondContact O-CG 3.42Å; V239-R280 PolarHBondContact O-N 3.28Å; V239-F283 HydrophobicContact CG1-CB 4.26Å; V239-F283 HydrophobicContact CG1-CD1 3.56Å; V239-F283 HydrophobicContact CG1-CD2 4.08Å; V239-F283 HydrophobicContact CG1-CE1 3.77Å; V239-F283 HydrophobicContact CG1-CE2 4.28Å; V239-F283 HydrophobicContact CG1-CG 3.7Å; V239-F283 HydrophobicContact CG1-CZ 4.12Å; V239-I322 HydrophobicContact CB-CD1 3.68Å; V239-I322 HydrophobicContact CG1-CD1 3.69Å; V239-I322 HydrophobicContact CG2-CD1 4.11Å; V239-L379 HydrophobicContact CG1-CD2 3.96Å; V239-G406 PolarHBondContact N-O 3.48Å; V239-I425 HydrophobicContact CB-CD1 4.17Å; V239-I425 HydrophobicContact CG1-CD1 3.54Å; V239-I425 VanDerWaalsContact N-CD1 3.33Å
240	G	96.9	Very high	93.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.			trans	132.3	154.7	-175.9	0	0	0	0	0	111.3	S238 N276 S318	S238-G240 PolarHBondContact O-N 3.38Å; S238-G240 VanDerWaalsContact O-N 3.15Å; S238-G240 PolarHBondContact OG-N 3.42Å; G240-N276 VanDerWaalsContact C-OD1 3.31Å; G240-N276 WeakPolarHBondContact CA-OD1 3.35Å; G240-S318 VanDerWaalsContact C-OG 3.25Å; G240-S318 PolarHBondContact O-OG 3.32Å
241	F	96	Very high	93.8	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.035	20%	0.196	C	C	.	.			trans	-75.2	155.8	173.9	62.8	-101.4	0	0	0	111.2	A197 I200 F246 I250 I272 I273 N276 R280 S318	A197-F241 HydrophobicContact CB-CD1 4.28Å; A197-F241 HydrophobicContact CB-CE1 4Å; A197-F241 HydrophobicContact CB-CZ 4.17Å; I200-F241 HydrophobicContact CB-CD1 4.38Å; I200-F241 HydrophobicContact CD1-CB 3.77Å; I200-F241 HydrophobicContact CG2-CB 4.31Å; I200-F241 HydrophobicContact CG2-CD1 4.22Å; F241-F246 HydrophobicContact CB-CD2 3.92Å; F241-F246 HydrophobicContact CB-CE2 4.44Å; F241-F246 HydrophobicContact CD2-CB 3.72Å; F241-F246 AromaticContact CD2-CD2 3.88Å; F241-F246 HydrophobicContact CD2-CD2 3.88Å; F241-F246 HydrophobicContact CD2-CG 4.33Å; F241-F246 HydrophobicContact CE2-CB 3.78Å; F241-F246 AromaticContact CG-CD2 3.94Å; F241-F246 HydrophobicContact CG-CD2 3.94Å; F241-I250 HydrophobicContact CZ-CD1 4.33Å; F241-I272 HydrophobicContact CE1-CG2 3.96Å; F241-I272 HydrophobicContact CZ-CG2 4.14Å; F241-I273 HydrophobicContact CZ-CD1 4.15Å; F241-N276 HydrophobicContact CD1-CB 4.24Å; F241-N276 VanDerWaalsContact CD1-OD1 3.3Å; F241-N276 WeakPolarHBondContact CD1-OD1 3.23Å; F241-N276 HydrophobicContact CE1-CB 3.63Å; F241-N276 VanDerWaalsContact CE1-CG 3.46Å; F241-N276 HydrophobicContact CZ-CB 3.8Å; F241-N276 PolarHBondContact N-OD1 3.02Å; F241-N276 PolarHBondContact O-ND2 3.13Å; F241-R280 PolarHBondContact O-NH2 3.23Å; F241-S318 PolarHBondContact O-OG 3.12Å
242	G	93.3	Very high	93.5	Very high	7 Å²	7	40.7 Å²	40.7	7%	0.072	19%	0.19	C	C	.	.			trans	-135.9	-155.4	170.8	0	0	0	0	0	111.3	E316	G242-E316 WeakPolarHBondContact CA-O 3.37Å
243	G	88.5	Confident	93.3	Very high	4 Å²	4	31.9 Å²	31.9	4%	0.041	16%	0.158	C	C	.	.	S	Bend	trans	84.4	157.1	-178.3	0	0	0	0	0	113	C245 R315	G243-C245 VanDerWaalsContact C-N 3.26Å; G243-C245 PolarHBondContact O-N 2.98Å; G243-R315 WeakPolarHBondContact CA-O 3.46Å; G243-R315 PolarHBondContact N-O 3.47Å
244	S	83.2	Confident	93.2	Very high	29 Å²	29	25.1 Å²	25.1	20%	0.203	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6	-172.9	69	0	0	0	0	115.8	K248 R315	S244-K248 VanDerWaalsContact O-CB 3.29Å; S244-K248 WeakPolarHBondContact O-CB 3.38Å; S244-K248 PolarHBondContact O-NZ 3.31Å; S244-R315 PolarHBondContact OG-NH1 2.66Å; S244-R315 VanDerWaalsContact OG-NH1 3.13Å; S244-R315 PolarHBondContact OG-NH2 2.95Å
245	C	89.9	Confident	92.9	Very high	39 Å²	39	23.5 Å²	23.5	26%	0.264	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-56.2	-174.2	-68.8	0	0	0	0	112.2	G243 D249	G243-C245 VanDerWaalsContact C-N 3.26Å; G243-C245 PolarHBondContact O-N 2.98Å; C245-D249 VanDerWaalsContact O-CB 3.24Å; C245-D249 WeakPolarHBondContact O-CB 3.41Å; C245-D249 VanDerWaalsContact O-CG 3.25Å; C245-D249 PolarHBondContact O-N 3.23Å
246	F	93.3	Very high	92.5	Very high	27 Å²	27	25 Å²	25	12%	0.118	13%	0.131	C	C	.	.	H	α-helix	trans	-62.9	-59.8	-170.1	-68.3	-12.9	0	0	0	113.2	N193 L196 A197 I200 Y234 F241 K248 D249 I250	N193-F246 HydrophobicContact CB-CD1 4.06Å; N193-F246 HydrophobicContact CB-CE1 4.45Å; L196-F246 HydrophobicContact CB-CE1 4.09Å; L196-F246 HydrophobicContact CB-CZ 3.97Å; L196-F246 HydrophobicContact CD1-CE1 4.33Å; L196-F246 HydrophobicContact CD1-CZ 4.46Å; A197-F246 HydrophobicContact CB-CB 4.04Å; A197-F246 HydrophobicContact CB-CD2 4.02Å; A197-F246 HydrophobicContact CB-CG 3.96Å; I200-F246 HydrophobicContact CD1-CD2 4.42Å; I200-F246 HydrophobicContact CD1-CE2 3.81Å; Y234-F246 HydrophobicContact CE1-CE2 4.2Å; Y234-F246 AromaticContact CE1-CZ 3.8Å; Y234-F246 HydrophobicContact CE1-CZ 3.8Å; F241-F246 HydrophobicContact CB-CD2 3.92Å; F241-F246 HydrophobicContact CB-CE2 4.44Å; F241-F246 HydrophobicContact CD2-CB 3.72Å; F241-F246 AromaticContact CD2-CD2 3.88Å; F241-F246 HydrophobicContact CD2-CD2 3.88Å; F241-F246 HydrophobicContact CD2-CG 4.33Å; F241-F246 HydrophobicContact CE2-CB 3.78Å; F241-F246 AromaticContact CG-CD2 3.94Å; F241-F246 HydrophobicContact CG-CD2 3.94Å; F246-K248 VanDerWaalsContact C-N 3.34Å; F246-K248 PolarHBondContact O-N 3.36Å; F246-D249 PolarHBondContact O-N 2.77Å; F246-I250 WeakPolarHBondContact O-CB 3.47Å; F246-I250 WeakPolarHBondContact O-CD1 3.37Å; F246-I250 VanDerWaalsContact O-CG1 3.3Å; F246-I250 WeakPolarHBondContact O-CG1 3.39Å; F246-I250 PolarHBondContact O-N 2.82Å
247	Q	91.1	Very high	92.4	Very high	30 Å²	30	19.4 Å²	19.4	14%	0.14	11%	0.106	C	C	.	.	H	α-helix	trans	-59.3	-46.4	-176.9	-174.7	172.4	-60.4	0	0	111.6	L251 I273 E316	Q247-L251 HydrophobicContact CG-CD1 3.97Å; Q247-L251 WeakPolarHBondContact O-CB 3.36Å; Q247-L251 VanDerWaalsContact O-CG 3.24Å; Q247-L251 WeakPolarHBondContact O-CG 3.4Å; Q247-L251 PolarHBondContact O-N 2.67Å; Q247-I273 HydrophobicContact CB-CD1 4.36Å; Q247-I273 HydrophobicContact CG-CD1 4.06Å; Q247-E316 PolarHBondContact NE2-OE2 3.31Å
248	K	88.3	Confident	92.2	Very high	32 Å²	32	24.2 Å²	24.2	14%	0.139	13%	0.127	C	C	.	.	H	α-helix	trans	-59.2	-50.2	178.2	179.1	-163.9	72.1	-133.6	0	112.5	T92 T94 S244 F246 L251 N252	T92-K248 HydrophobicContact CG2-CD 4.18Å; T92-K248 VanDerWaalsContact O-CD 3.26Å; T92-K248 WeakPolarHBondContact O-CD 3.33Å; T94-K248 HydrophobicContact CG2-CG 4.35Å; S244-K248 VanDerWaalsContact O-CB 3.29Å; S244-K248 WeakPolarHBondContact O-CB 3.38Å; S244-K248 PolarHBondContact O-NZ 3.31Å; F246-K248 VanDerWaalsContact C-N 3.34Å; F246-K248 PolarHBondContact O-N 3.36Å; K248-L251 PolarHBondContact O-N 3.31Å; K248-N252 WeakPolarHBondContact O-CB 3.46Å; K248-N252 VanDerWaalsContact O-CG 3.29Å; K248-N252 PolarHBondContact O-N 2.81Å; K248-N252 PolarHBondContact O-ND2 3.31Å
249	D	90.7	Very high	92	Very high	8 Å²	8	24.8 Å²	24.8	4%	0.043	13%	0.131	C	C	.	.	H	α-helix	trans	-72.4	-33.5	-174.2	-69.4	-16.8	0	0	0	111.5	L190 N193 C245 F246 N252 L253	L190-D249 HydrophobicContact CD2-CB 3.82Å; N193-D249 HydrophobicContact CB-CB 4.11Å; N193-D249 PolarHBondContact ND2-OD2 2.91Å; C245-D249 VanDerWaalsContact O-CB 3.24Å; C245-D249 WeakPolarHBondContact O-CB 3.41Å; C245-D249 VanDerWaalsContact O-CG 3.25Å; C245-D249 PolarHBondContact O-N 3.23Å; F246-D249 PolarHBondContact O-N 2.77Å; D249-N252 PolarHBondContact O-N 3.34Å; D249-L253 WeakPolarHBondContact O-CB 3.24Å; D249-L253 PolarHBondContact O-N 3.25Å
250	I	93.8	Very high	91.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-47.8	171.1	-68.9	164.1	0	0	0	110.6	A194 A197 F241 F246 N252 L253 V254 W269 I272 I273	A194-I250 HydrophobicContact CB-CG1 4.13Å; A197-I250 HydrophobicContact CB-CD1 3.44Å; A197-I250 VanDerWaalsContact CB-CD1 3.44Å; F241-I250 HydrophobicContact CZ-CD1 4.33Å; F246-I250 WeakPolarHBondContact O-CB 3.47Å; F246-I250 WeakPolarHBondContact O-CD1 3.37Å; F246-I250 VanDerWaalsContact O-CG1 3.3Å; F246-I250 WeakPolarHBondContact O-CG1 3.39Å; F246-I250 PolarHBondContact O-N 2.82Å; I250-N252 VanDerWaalsContact C-N 3.28Å; I250-N252 PolarHBondContact O-N 2.81Å; I250-L253 CarbonylContact O-C 3.55Å; I250-L253 WeakPolarHBondContact O-CA 3.41Å; I250-L253 WeakPolarHBondContact O-CB 3.45Å; I250-L253 PolarHBondContact O-N 2.99Å; I250-V254 HydrophobicContact CG2-CG2 4.28Å; I250-V254 WeakPolarHBondContact O-CG2 3.34Å; I250-V254 PolarHBondContact O-N 3.48Å; I250-W269 HydrophobicContact CG2-CB 4.48Å; I250-W269 WeakPolarHBondContact CG2-O 3.29Å; I250-I272 HydrophobicContact CD1-CB 4.4Å; I250-I272 HydrophobicContact CD1-CG2 3.73Å; I250-I273 HydrophobicContact CB-CD1 3.94Å; I250-I273 HydrophobicContact CB-CG1 4.41Å; I250-I273 HydrophobicContact CD1-CD1 3.99Å; I250-I273 HydrophobicContact CG2-CD1 3.76Å; I250-I273 HydrophobicContact CG2-CG1 3.74Å
251	L	93.3	Very high	91.7	Very high	59 Å²	59	36 Å²	36	31%	0.309	19%	0.19	S	C	.	.	H	α-helix	trans	-62.3	-36.1	177.6	-70.7	173.6	0	0	0	112.1	Q247 K248 L253 V254 Y255 I273	Q247-L251 HydrophobicContact CG-CD1 3.97Å; Q247-L251 WeakPolarHBondContact O-CB 3.36Å; Q247-L251 VanDerWaalsContact O-CG 3.24Å; Q247-L251 WeakPolarHBondContact O-CG 3.4Å; Q247-L251 PolarHBondContact O-N 2.67Å; K248-L251 PolarHBondContact O-N 3.31Å; L251-L253 VanDerWaalsContact C-N 3.32Å; L251-L253 PolarHBondContact O-N 2.89Å; L251-V254 PolarHBondContact O-N 3.17Å; L251-Y255 VanDerWaalsContact O-CB 3.31Å; L251-Y255 WeakPolarHBondContact O-CB 3.44Å; L251-Y255 PolarHBondContact O-N 3.44Å; L251-I273 HydrophobicContact CD2-CG1 4.23Å; L251-I273 HydrophobicContact CG-CG1 4.48Å
252	N	91.3	Very high	91.8	Very high	24 Å²	24	39.3 Å²	39.3	13%	0.128	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-35.8	171.6	-74.6	-30.2	0	0	0	112.2	K95 L190 K248 D249 I250 L256	K95-N252 PolarHBondContact N-OD1 2.74Å; L190-N252 HydrophobicContact CD2-CB 4.2Å; K248-N252 WeakPolarHBondContact O-CB 3.46Å; K248-N252 VanDerWaalsContact O-CG 3.29Å; K248-N252 PolarHBondContact O-N 2.81Å; K248-N252 PolarHBondContact O-ND2 3.31Å; D249-N252 PolarHBondContact O-N 3.34Å; I250-N252 VanDerWaalsContact C-N 3.28Å; I250-N252 PolarHBondContact O-N 2.81Å; N252-L256 WeakPolarHBondContact O-CB 3.31Å; N252-L256 PolarHBondContact O-N 2.78Å
253	L	92.5	Very high	92	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-69.9	-44	175.8	-178.5	60.1	0	0	0	111.7	L187 L190 A194 D249 I250 L251 Y255 L256 C257 W269	L187-L253 HydrophobicContact CD1-CD1 3.96Å; L190-L253 HydrophobicContact CB-CB 4.44Å; A194-L253 HydrophobicContact CB-CD2 3.77Å; D249-L253 WeakPolarHBondContact O-CB 3.24Å; D249-L253 PolarHBondContact O-N 3.25Å; I250-L253 CarbonylContact O-C 3.55Å; I250-L253 WeakPolarHBondContact O-CA 3.41Å; I250-L253 WeakPolarHBondContact O-CB 3.45Å; I250-L253 PolarHBondContact O-N 2.99Å; L251-L253 VanDerWaalsContact C-N 3.32Å; L251-L253 PolarHBondContact O-N 2.89Å; L253-Y255 VanDerWaalsContact C-N 3.34Å; L253-Y255 PolarHBondContact O-N 2.97Å; L253-L256 WeakPolarHBondContact O-CB 3.31Å; L253-L256 PolarHBondContact O-N 3.4Å; L253-L256 VanDerWaalsContact O-N 3.16Å; L253-C257 PolarHBondContact O-N 2.91Å; L253-C257 PolarHBondContact O-SG 3.19Å; L253-C257 VanDerWaalsContact O-SG 3.41Å; L253-W269 HydrophobicContact CD2-CD2 3.74Å; L253-W269 HydrophobicContact CD2-CE3 4.36Å; L253-W269 HydrophobicContact CD2-CG 3.81Å; L253-W269 HydrophobicContact CD2-CZ2 4.37Å; L253-W269 HydrophobicContact CG-CG 4.21Å
254	V	92.9	Very high	92.5	Very high	9 Å²	9	53 Å²	53	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-55.7	-51.5	172.7	173.6	0	0	0	0	109.7	I250 L251 L256 C257 E258 A266 W269 N270	I250-V254 HydrophobicContact CG2-CG2 4.28Å; I250-V254 WeakPolarHBondContact O-CG2 3.34Å; I250-V254 PolarHBondContact O-N 3.48Å; L251-V254 PolarHBondContact O-N 3.17Å; V254-L256 VanDerWaalsContact C-N 3.28Å; V254-L256 PolarHBondContact O-N 3.06Å; V254-C257 WeakPolarHBondContact O-CB 3.44Å; V254-C257 PolarHBondContact O-N 2.89Å; V254-C257 VanDerWaalsContact O-N 3.08Å; V254-E258 WeakPolarHBondContact O-CG 3.24Å; V254-E258 PolarHBondContact O-N 2.94Å; V254-A266 HydrophobicContact CG1-CB 4.14Å; V254-W269 HydrophobicContact CG2-CB 3.75Å; V254-N270 HydrophobicContact CG1-CB 4.3Å; V254-N270 HydrophobicContact CG2-CB 3.99Å
255	Y	90.2	Very high	93.2	Very high	48 Å²	48	54.2 Å²	54.2	19%	0.188	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-39.2	176.8	174.8	-90.7	0	0	0	112.9	G98 F99 L251 L253 S259	G98-Y255 WeakPolarHBondContact CA-OH 3.25Å; G98-Y255 PolarHBondContact N-OH 3.43Å; G98-Y255 PolarHBondContact O-OH 3.26Å; F99-Y255 PolarHBondContact N-OH 2.84Å; L251-Y255 VanDerWaalsContact O-CB 3.31Å; L251-Y255 WeakPolarHBondContact O-CB 3.44Å; L251-Y255 PolarHBondContact O-N 3.44Å; L253-Y255 VanDerWaalsContact C-N 3.34Å; L253-Y255 PolarHBondContact O-N 2.97Å; Y255-S259 VanDerWaalsContact CE1-OG 3.25Å; Y255-S259 WeakPolarHBondContact CE1-OG 3.49Å; Y255-S259 VanDerWaalsContact CZ-OG 3.27Å; Y255-S259 VanDerWaalsContact O-CB 3.29Å; Y255-S259 WeakPolarHBondContact O-CB 3.4Å; Y255-S259 PolarHBondContact O-N 3.49Å; Y255-S259 PolarHBondContact O-OG 2.77Å; Y255-S259 PolarHBondContact OH-OG 3.49Å
256	L	89.6	Confident	93.5	Very high	48 Å²	48	52.5 Å²	52.5	25%	0.251	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-43.2	176.1	178.5	62.8	0	0	0	111.3	L187 N252 L253 V254 S259 L260	L187-L256 HydrophobicContact CD1-CD2 4.17Å; N252-L256 WeakPolarHBondContact O-CB 3.31Å; N252-L256 PolarHBondContact O-N 2.78Å; L253-L256 WeakPolarHBondContact O-CB 3.31Å; L253-L256 PolarHBondContact O-N 3.4Å; L253-L256 VanDerWaalsContact O-N 3.16Å; V254-L256 VanDerWaalsContact C-N 3.28Å; V254-L256 PolarHBondContact O-N 3.06Å; L256-S259 PolarHBondContact O-N 3.41Å; L256-L260 HydrophobicContact CD1-CD1 4Å; L256-L260 HydrophobicContact CD1-CG 4.4Å; L256-L260 HydrophobicContact CG-CD1 4.17Å; L256-L260 VanDerWaalsContact O-CG 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.3Å; L256-L260 PolarHBondContact O-N 3.19Å; L256-L260 VanDerWaalsContact O-N 3.17Å
257	C	94.1	Very high	93.7	Very high	11 Å²	11	55.8 Å²	55.8	7%	0.074	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-49	175	-70.3	0	0	0	0	111.5	L253 V254 S259 L260 N261 L262 C265 A266	L253-C257 PolarHBondContact O-N 2.91Å; L253-C257 PolarHBondContact O-SG 3.19Å; L253-C257 VanDerWaalsContact O-SG 3.41Å; V254-C257 WeakPolarHBondContact O-CB 3.44Å; V254-C257 PolarHBondContact O-N 2.89Å; V254-C257 VanDerWaalsContact O-N 3.08Å; C257-S259 PolarHBondContact O-N 3.43Å; C257-L260 CarbonylContact O-C 3.49Å; C257-L260 PolarHBondContact O-N 3.3Å; C257-N261 PolarHBondContact O-N 3.11Å; C257-L262 HydrophobicContact CB-CB 4.25Å; C257-L262 PolarHBondContact O-N 3.5Å; C257-C265 HydrophobicContact CB-CB 4.19Å; C257-A266 HydrophobicContact CB-CB 3.72Å
258	E	93.4	Very high	94.1	Very high	108 Å²	108	60.5 Å²	60.5	51%	0.505	30%	0.299	S	S	.	.	H	α-helix	trans	-59.5	-44.7	176.8	-67.7	174.5	155.1	0	0	111.7	V254 L260 N261 A266	V254-E258 WeakPolarHBondContact O-CG 3.24Å; V254-E258 PolarHBondContact O-N 2.94Å; E258-L260 PolarHBondContact O-N 3.16Å; E258-L260 VanDerWaalsContact O-N 3.12Å; E258-N261 PolarHBondContact O-N 3Å; E258-A266 HydrophobicContact CG-CB 3.65Å
259	S	91.9	Very high	94.6	Very high	18 Å²	18	60.7 Å²	60.7	13%	0.126	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-20.8	177.6	-61.3	0	0	0	0	113	F99 Y255 L256 C257	F99-S259 WeakPolarHBondContact CE1-O 3.36Å; F99-S259 WeakPolarHBondContact CZ-O 3.43Å; Y255-S259 VanDerWaalsContact CE1-OG 3.25Å; Y255-S259 WeakPolarHBondContact CE1-OG 3.49Å; Y255-S259 VanDerWaalsContact CZ-OG 3.27Å; Y255-S259 VanDerWaalsContact O-CB 3.29Å; Y255-S259 WeakPolarHBondContact O-CB 3.4Å; Y255-S259 PolarHBondContact O-N 3.49Å; Y255-S259 PolarHBondContact O-OG 2.77Å; Y255-S259 PolarHBondContact OH-OG 3.49Å; L256-S259 PolarHBondContact O-N 3.41Å; C257-S259 PolarHBondContact O-N 3.43Å
260	L	94.1	Very high	94.9	Very high	101 Å²	101	62.3 Å²	62.3	53%	0.529	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	6.9	176.8	-64.8	173.6	0	0	0	112.7	L256 C257 E258 L262	L256-L260 HydrophobicContact CD1-CD1 4Å; L256-L260 HydrophobicContact CD1-CG 4.4Å; L256-L260 HydrophobicContact CG-CD1 4.17Å; L256-L260 VanDerWaalsContact O-CG 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.3Å; L256-L260 PolarHBondContact O-N 3.19Å; L256-L260 VanDerWaalsContact O-N 3.17Å; C257-L260 CarbonylContact O-C 3.49Å; C257-L260 PolarHBondContact O-N 3.3Å; E258-L260 PolarHBondContact O-N 3.16Å; E258-L260 VanDerWaalsContact O-N 3.12Å; L260-L262 VanDerWaalsContact C-N 3.3Å; L260-L262 HydrophobicContact CB-CD1 4.27Å; L260-L262 HydrophobicContact CB-CG 4.24Å; L260-L262 PolarHBondContact O-N 3.4Å
261	N	95.4	Very high	95.2	Very high	134 Å²	134	66.7 Å²	66.7	72%	0.717	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	38	-174.6	-47.5	-69	0	0	0	113.3	C257 E258	C257-N261 PolarHBondContact O-N 3.11Å; E258-N261 PolarHBondContact O-N 3Å
262	L	97.4	Very high	95.4	Very high	78 Å²	78	64.3 Å²	64.3	41%	0.408	32%	0.316	S	S	.	.			trans	-103.7	67.8	173.9	-61.9	175.4	0	0	0	109.6	C257 L260 E264 C265 A266	C257-L262 HydrophobicContact CB-CB 4.25Å; C257-L262 PolarHBondContact O-N 3.5Å; L260-L262 VanDerWaalsContact C-N 3.3Å; L260-L262 HydrophobicContact CB-CD1 4.27Å; L260-L262 HydrophobicContact CB-CG 4.24Å; L260-L262 PolarHBondContact O-N 3.4Å; L262-E264 PolarHBondContact O-N 3.28Å; L262-C265 HydrophobicContact CB-CB 4.04Å; L262-C265 PolarHBondContact O-N 2.89Å; L262-A266 PolarHBondContact O-N 3.47Å
263	E	97.9	Very high	95.7	Very high	144 Å²	144	63.8 Å²	63.8	67%	0.673	31%	0.313	S	S	*	.	H	α-helix	trans	-60.9	-41.7	-172.1	-66.3	-178.9	-176.8	0	0	112.3	C265 A266 E267	E263-C265 VanDerWaalsContact C-N 3.29Å; E263-C265 PolarHBondContact O-N 2.66Å; E263-A266 WeakPolarHBondContact O-CB 3.37Å; E263-A266 PolarHBondContact O-N 3.36Å; E263-E267 WeakPolarHBondContact O-CB 3.46Å; E263-E267 PolarHBondContact O-N 3.21Å
264	E	98.6	Very high	96	Very high	154 Å²	154	66.9 Å²	66.9	72%	0.72	33%	0.329	S	S	*	.	H	α-helix	trans	-64.2	-35.9	179	-59.3	88	162.1	0	0	111.8	L262 Y268	L262-E264 PolarHBondContact O-N 3.28Å; E264-Y268 WeakPolarHBondContact O-CB 3.42Å; E264-Y268 PolarHBondContact O-N 3.33Å; E264-Y268 VanDerWaalsContact O-N 3.11Å
265	C	98.3	Very high	96.2	Very high	55 Å²	55	68.5 Å²	68.5	37%	0.372	34%	0.337	S	S	.	.	H	α-helix	trans	-71.1	-40.8	174.7	-64.5	0	0	0	0	111.7	C257 L262 E263 Y268 W269	C257-C265 HydrophobicContact CB-CB 4.19Å; L262-C265 HydrophobicContact CB-CB 4.04Å; L262-C265 PolarHBondContact O-N 2.89Å; E263-C265 VanDerWaalsContact C-N 3.29Å; E263-C265 PolarHBondContact O-N 2.66Å; C265-Y268 PolarHBondContact O-N 3.46Å; C265-W269 PolarHBondContact O-N 2.9Å; C265-W269 VanDerWaalsContact O-N 3.17Å
266	A	95.6	Very high	96.6	Very high	4 Å²	4	66.2 Å²	66.2	3%	0.033	33%	0.328	C	S	.	.	H	α-helix	trans	-59.8	-48.6	176.6	0	0	0	0	0	110.7	V254 C257 E258 L262 E263 Y268 W269 N270	V254-A266 HydrophobicContact CG1-CB 4.14Å; C257-A266 HydrophobicContact CB-CB 3.72Å; E258-A266 HydrophobicContact CG-CB 3.65Å; L262-A266 PolarHBondContact O-N 3.47Å; E263-A266 WeakPolarHBondContact O-CB 3.37Å; E263-A266 PolarHBondContact O-N 3.36Å; A266-Y268 PolarHBondContact O-N 3.48Å; A266-W269 PolarHBondContact O-N 2.96Å; A266-N270 VanDerWaalsContact O-CB 3.31Å; A266-N270 WeakPolarHBondContact O-CB 3.29Å; A266-N270 PolarHBondContact O-N 3.42Å
267	E	98.4	Very high	97	Very high	96 Å²	96	65.7 Å²	65.7	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-44.9	179.3	-175.8	54.6	-151.5	0	0	111.5	E263 W269 N270 Q271	E263-E267 WeakPolarHBondContact O-CB 3.46Å; E263-E267 PolarHBondContact O-N 3.21Å; E267-W269 PolarHBondContact O-N 2.95Å; E267-N270 PolarHBondContact O-N 2.92Å; E267-Q271 WeakPolarHBondContact O-CG 3.35Å; E267-Q271 PolarHBondContact O-N 3.28Å; E267-Q271 PolarHBondContact OE1-NE2 3.2Å
268	Y	98.7	Very high	97.2	Very high	128 Å²	128	69.7 Å²	69.7	50%	0.502	34%	0.339	S	S	.	.	H	α-helix	trans	-55.1	-47.9	176.7	178.3	-96.6	0	0	0	112.9	Q198 E264 C265 A266	Q198-Y268 VanDerWaalsContact NE2-CZ 3.35Å; Q198-Y268 PolarHBondContact NE2-OH 3.02Å; E264-Y268 WeakPolarHBondContact O-CB 3.42Å; E264-Y268 PolarHBondContact O-N 3.33Å; E264-Y268 VanDerWaalsContact O-N 3.11Å; C265-Y268 PolarHBondContact O-N 3.46Å; A266-Y268 PolarHBondContact O-N 3.48Å
269	W	98.2	Very high	97.5	Very high	37 Å²	37	64.6 Å²	64.6	14%	0.14	32%	0.315	C	S	.	.	H	α-helix	trans	-72.2	-33	179.2	-66.1	120.6	0	0	0	112.2	A194 F195 I250 L253 V254 C265 A266 E267 Q271 I272	A194-W269 HydrophobicContact CB-CD2 4.49Å; A194-W269 HydrophobicContact CB-CE3 3.82Å; A194-W269 HydrophobicContact CB-CH2 4.32Å; A194-W269 HydrophobicContact CB-CZ3 3.73Å; F195-W269 AromaticContact CD2-CH2 3.9Å; F195-W269 HydrophobicContact CD2-CH2 3.9Å; F195-W269 HydrophobicContact CD2-CZ3 4.49Å; F195-W269 AromaticContact CE2-CH2 3.68Å; F195-W269 HydrophobicContact CE2-CH2 3.68Å; F195-W269 HydrophobicContact CE2-CZ2 4.32Å; I250-W269 HydrophobicContact CG2-CB 4.48Å; I250-W269 WeakPolarHBondContact CG2-O 3.29Å; L253-W269 HydrophobicContact CD2-CD2 3.74Å; L253-W269 HydrophobicContact CD2-CE3 4.36Å; L253-W269 HydrophobicContact CD2-CG 3.81Å; L253-W269 HydrophobicContact CD2-CZ2 4.37Å; L253-W269 HydrophobicContact CG-CG 4.21Å; V254-W269 HydrophobicContact CG2-CB 3.75Å; C265-W269 PolarHBondContact O-N 2.9Å; C265-W269 VanDerWaalsContact O-N 3.17Å; A266-W269 PolarHBondContact O-N 2.96Å; E267-W269 PolarHBondContact O-N 2.95Å; W269-Q271 VanDerWaalsContact C-N 3.32Å; W269-Q271 PolarHBondContact O-N 2.89Å; W269-I272 HydrophobicContact CE3-CD1 3.55Å; W269-I272 HydrophobicContact CZ3-CD1 3.91Å; W269-I272 WeakPolarHBondContact O-CB 3.47Å; W269-I272 PolarHBondContact O-N 3.39Å
270	N	98.1	Very high	97.8	Very high	41 Å²	41	63.7 Å²	63.7	22%	0.219	31%	0.309	C	S	.	.	H	α-helix	trans	-67.3	-32	178	-168.9	40.9	0	0	0	112.5	V254 A266 E267 I272 I273 L274	V254-N270 HydrophobicContact CG1-CB 4.3Å; V254-N270 HydrophobicContact CG2-CB 3.99Å; A266-N270 VanDerWaalsContact O-CB 3.31Å; A266-N270 WeakPolarHBondContact O-CB 3.29Å; A266-N270 PolarHBondContact O-N 3.42Å; E267-N270 PolarHBondContact O-N 2.92Å; N270-I272 PolarHBondContact O-N 2.68Å; N270-I272 VanDerWaalsContact O-N 3.12Å; N270-I273 WeakPolarHBondContact O-CB 3.36Å; N270-I273 PolarHBondContact O-N 3.09Å; N270-L274 PolarHBondContact O-N 3.43Å; N270-L274 VanDerWaalsContact O-N 3.08Å
271	Q	98.5	Very high	97.9	Very high	93 Å²	93	64.2 Å²	64.2	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-56.7	-28.3	174.8	-74.8	-61.7	-39.1	0	0	113.3	E267 W269 I273 L274 L275	E267-Q271 WeakPolarHBondContact O-CG 3.35Å; E267-Q271 PolarHBondContact O-N 3.28Å; E267-Q271 PolarHBondContact OE1-NE2 3.2Å; W269-Q271 VanDerWaalsContact C-N 3.32Å; W269-Q271 PolarHBondContact O-N 2.89Å; Q271-I273 VanDerWaalsContact C-N 3.34Å; Q271-I273 PolarHBondContact O-N 3.01Å; Q271-L274 PolarHBondContact O-N 2.88Å; Q271-L275 VanDerWaalsContact O-CB 3.31Å; Q271-L275 WeakPolarHBondContact O-CB 3.12Å; Q271-L275 PolarHBondContact O-N 2.83Å
272	I	98.6	Very high	98	Very high	9 Å²	9	59.9 Å²	59.9	5%	0.046	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-41.9	174.2	-58.5	178.7	0	0	0	110.9	A197 Q198 S201 F241 I250 W269 N270 N276	A197-I272 HydrophobicContact CB-CG2 4.16Å; Q198-I272 HydrophobicContact CB-CD1 3.65Å; Q198-I272 HydrophobicContact CB-CG1 4.45Å; Q198-I272 HydrophobicContact CG-CD1 4.08Å; S201-I272 WeakPolarHBondContact OG-CG2 3.27Å; F241-I272 HydrophobicContact CE1-CG2 3.96Å; F241-I272 HydrophobicContact CZ-CG2 4.14Å; I250-I272 HydrophobicContact CD1-CB 4.4Å; I250-I272 HydrophobicContact CD1-CG2 3.73Å; W269-I272 HydrophobicContact CE3-CD1 3.55Å; W269-I272 HydrophobicContact CZ3-CD1 3.91Å; W269-I272 WeakPolarHBondContact O-CB 3.47Å; W269-I272 PolarHBondContact O-N 3.39Å; N270-I272 PolarHBondContact O-N 2.68Å; N270-I272 VanDerWaalsContact O-N 3.12Å; I272-N276 WeakPolarHBondContact O-CB 3.23Å; I272-N276 PolarHBondContact O-N 2.95Å
273	I	97.2	Very high	98.1	Very high	13 Å²	13	56.4 Å²	56.4	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-69.1	-47.9	177.8	-57.5	-51.6	0	0	0	110.3	F241 Q247 I250 L251 N270 Q271 L275 N276 D277	F241-I273 HydrophobicContact CZ-CD1 4.15Å; Q247-I273 HydrophobicContact CB-CD1 4.36Å; Q247-I273 HydrophobicContact CG-CD1 4.06Å; I250-I273 HydrophobicContact CB-CD1 3.94Å; I250-I273 HydrophobicContact CB-CG1 4.41Å; I250-I273 HydrophobicContact CD1-CD1 3.99Å; I250-I273 HydrophobicContact CG2-CD1 3.76Å; I250-I273 HydrophobicContact CG2-CG1 3.74Å; L251-I273 HydrophobicContact CD2-CG1 4.23Å; L251-I273 HydrophobicContact CG-CG1 4.48Å; N270-I273 WeakPolarHBondContact O-CB 3.36Å; N270-I273 PolarHBondContact O-N 3.09Å; Q271-I273 VanDerWaalsContact C-N 3.34Å; Q271-I273 PolarHBondContact O-N 3.01Å; I273-L275 VanDerWaalsContact C-N 3.34Å; I273-L275 PolarHBondContact O-N 2.71Å; I273-N276 WeakPolarHBondContact O-CB 3.43Å; I273-N276 PolarHBondContact O-N 3.48Å; I273-N276 VanDerWaalsContact O-N 3.15Å; I273-D277 PolarHBondContact O-N 2.56Å
274	L	98.1	Very high	98.1	Very high	75 Å²	75	49.6 Å²	49.6	39%	0.393	23%	0.228	S	C	.	.	H	α-helix	trans	-60.6	-42.1	-178.4	-64.3	178.2	0	0	0	112.3	N270 Q271 D277 W278	N270-L274 PolarHBondContact O-N 3.43Å; N270-L274 VanDerWaalsContact O-N 3.08Å; Q271-L274 PolarHBondContact O-N 2.88Å; L274-D277 PolarHBondContact O-N 3.34Å; L274-W278 WeakPolarHBondContact O-CB 3.4Å; L274-W278 PolarHBondContact O-N 2.92Å
275	L	98.6	Very high	98.1	Very high	43 Å²	43	47.8 Å²	47.8	23%	0.225	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-39.6	176.3	-173	73.6	0	0	0	111.8	S201 A205 Q271 I273 D277 W278 Q279	S201-L275 VanDerWaalsContact O-CD2 3.25Å; S201-L275 WeakPolarHBondContact O-CD2 3.45Å; A205-L275 HydrophobicContact CB-CD2 3.91Å; Q271-L275 VanDerWaalsContact O-CB 3.31Å; Q271-L275 WeakPolarHBondContact O-CB 3.12Å; Q271-L275 PolarHBondContact O-N 2.83Å; I273-L275 VanDerWaalsContact C-N 3.34Å; I273-L275 PolarHBondContact O-N 2.71Å; L275-D277 VanDerWaalsContact C-N 3.33Å; L275-D277 PolarHBondContact O-N 2.72Å; L275-W278 HydrophobicContact CD1-CD2 4.43Å; L275-W278 HydrophobicContact CD1-CE3 3.6Å; L275-W278 HydrophobicContact CD1-CZ3 3.9Å; L275-W278 HydrophobicContact CG-CE3 4.44Å; L275-W278 PolarHBondContact O-N 2.8Å; L275-Q279 WeakPolarHBondContact O-CB 3.46Å; L275-Q279 PolarHBondContact O-N 2.68Å
276	N	98.3	Very high	98	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-43	177	-167.4	56.3	0	0	0	111.6	G240 F241 I272 I273 Q279 R280	G240-N276 VanDerWaalsContact C-OD1 3.31Å; G240-N276 WeakPolarHBondContact CA-OD1 3.35Å; F241-N276 HydrophobicContact CD1-CB 4.24Å; F241-N276 VanDerWaalsContact CD1-OD1 3.3Å; F241-N276 WeakPolarHBondContact CD1-OD1 3.23Å; F241-N276 HydrophobicContact CE1-CB 3.63Å; F241-N276 VanDerWaalsContact CE1-CG 3.46Å; F241-N276 HydrophobicContact CZ-CB 3.8Å; F241-N276 PolarHBondContact N-OD1 3.02Å; F241-N276 PolarHBondContact O-ND2 3.13Å; I272-N276 WeakPolarHBondContact O-CB 3.23Å; I272-N276 PolarHBondContact O-N 2.95Å; I273-N276 WeakPolarHBondContact O-CB 3.43Å; I273-N276 PolarHBondContact O-N 3.48Å; I273-N276 VanDerWaalsContact O-N 3.15Å; N276-Q279 PolarHBondContact O-N 3.17Å; N276-R280 PolarHBondContact ND2-NH1 3.41Å; N276-R280 PolarHBondContact ND2-NH2 3.44Å; N276-R280 WeakPolarHBondContact O-CG 3.41Å; N276-R280 PolarHBondContact O-N 3.03Å
277	D	97.9	Very high	98.2	Very high	36 Å²	36	46.5 Å²	46.5	19%	0.193	21%	0.206	C	C	.	.	H	α-helix	trans	-69.4	-37.4	176.1	-72.9	-19	0	0	0	112.7	I273 L274 L275 R280 R281	I273-D277 PolarHBondContact O-N 2.56Å; L274-D277 PolarHBondContact O-N 3.34Å; L275-D277 VanDerWaalsContact C-N 3.33Å; L275-D277 PolarHBondContact O-N 2.72Å; D277-R280 PolarHBondContact O-N 3.37Å; D277-R280 IonicContact OD1-CZ 3.69Å; D277-R280 IonicContact OD1-NH1 2.84Å; D277-R280 PolarHBondContact OD1-NH1 3.36Å; D277-R281 PolarHBondContact O-N 3.17Å
278	W	98.4	Very high	98.2	Very high	95 Å²	95	42.8 Å²	42.8	36%	0.36	19%	0.189	S	C	.	.	H	α-helix	trans	-62.5	-42.3	172	171.2	85.5	0	0	0	111.8	L274 L275 R280 R281 R282	L274-W278 WeakPolarHBondContact O-CB 3.4Å; L274-W278 PolarHBondContact O-N 2.92Å; L275-W278 HydrophobicContact CD1-CD2 4.43Å; L275-W278 HydrophobicContact CD1-CE3 3.6Å; L275-W278 HydrophobicContact CD1-CZ3 3.9Å; L275-W278 HydrophobicContact CG-CE3 4.44Å; L275-W278 PolarHBondContact O-N 2.8Å; W278-R280 VanDerWaalsContact C-N 3.34Å; W278-R280 PolarHBondContact O-N 2.82Å; W278-R281 PolarHBondContact O-N 2.75Å; W278-R282 VanDerWaalsContact CH2-CD 3.44Å; W278-R282 HydrophobicContact CZ2-CG 4.5Å; W278-R282 WeakPolarHBondContact O-CB 3.44Å; W278-R282 PolarHBondContact O-N 2.87Å
279	Q	98.3	Very high	98.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-44	177.6	-177.7	73.1	-19.9	0	0	111.2	N204 S238 V239 L275 N276 R282 F283	N204-Q279 HydrophobicContact CB-CG 4.33Å; S238-Q279 WeakPolarHBondContact O-CG 3.43Å; S238-Q279 PolarHBondContact O-NE2 2.89Å; V239-Q279 WeakPolarHBondContact O-CG 3.4Å; L275-Q279 WeakPolarHBondContact O-CB 3.46Å; L275-Q279 PolarHBondContact O-N 2.68Å; N276-Q279 PolarHBondContact O-N 3.17Å; Q279-R282 PolarHBondContact O-N 2.83Å; Q279-R282 VanDerWaalsContact OE1-NE 3.1Å; Q279-F283 WeakPolarHBondContact O-CB 3.04Å; Q279-F283 PolarHBondContact O-N 3.27Å
280	R	98.2	Very high	98	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-48.6	174.8	-66.9	163	177.1	167.4	-11.7	111.9	V239 F241 N276 D277 W278 F283 A284 E316 S318 Y325	V239-R280 WeakPolarHBondContact O-CG 3.42Å; V239-R280 PolarHBondContact O-N 3.28Å; F241-R280 PolarHBondContact O-NH2 3.23Å; N276-R280 PolarHBondContact ND2-NH1 3.41Å; N276-R280 PolarHBondContact ND2-NH2 3.44Å; N276-R280 WeakPolarHBondContact O-CG 3.41Å; N276-R280 PolarHBondContact O-N 3.03Å; D277-R280 PolarHBondContact O-N 3.37Å; D277-R280 IonicContact OD1-CZ 3.69Å; D277-R280 IonicContact OD1-NH1 2.84Å; D277-R280 PolarHBondContact OD1-NH1 3.36Å; W278-R280 VanDerWaalsContact C-N 3.34Å; W278-R280 PolarHBondContact O-N 2.82Å; R280-F283 PolarHBondContact O-N 2.83Å; R280-A284 PolarHBondContact O-N 3.02Å; R280-A284 VanDerWaalsContact O-N 3.11Å; R280-E316 PolarHBondContact NH2-O 3.34Å; R280-S318 PolarHBondContact NE-OG 2.99Å; R280-S318 VanDerWaalsContact NE-OG 3.13Å; R280-Y325 HydrophobicContact CB-CE2 4.39Å
281	R	97.9	Very high	97.9	Very high	111 Å²	111	41 Å²	41	42%	0.419	18%	0.184	S	C	.	.	H	α-helix	trans	-60.8	-46.4	176.9	-78.7	-167.9	-55.5	-86.8	-0.8	112.1	D277 W278 F283 A284 K285 Y325	D277-R281 PolarHBondContact O-N 3.17Å; W278-R281 PolarHBondContact O-N 2.75Å; R281-F283 VanDerWaalsContact C-N 3.34Å; R281-F283 PolarHBondContact O-N 3.49Å; R281-A284 PolarHBondContact O-N 3.3Å; R281-K285 WeakPolarHBondContact O-CB 3.41Å; R281-K285 PolarHBondContact O-N 2.93Å; R281-Y325 HydrophobicContact CB-CE2 4.33Å; R281-Y325 HydrophobicContact CG-CD2 4.33Å; R281-Y325 HydrophobicContact CG-CE1 3.81Å; R281-Y325 HydrophobicContact CG-CE2 3.52Å; R281-Y325 WeakPolarHBondContact CG-OH 3.44Å
282	R	97.2	Very high	97.7	Very high	43 Å²	43	43 Å²	43	16%	0.162	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-43.2	-178.5	-178.4	179	76.5	80.9	-4.9	111.2	E211 W278 Q279 K285 N286	E211-R282 VanDerWaalsContact CD-NH1 3.31Å; E211-R282 IonicContact OE1-CZ 2.96Å; E211-R282 IonicContact OE1-NH1 3.55Å; E211-R282 PolarHBondContact OE1-NH1 3.43Å; E211-R282 IonicContact OE1-NH2 3.71Å; E211-R282 PolarHBondContact OE1-NH2 3.4Å; E211-R282 IonicContact OE2-CZ 2.73Å; E211-R282 IonicContact OE2-NH1 3.62Å; E211-R282 PolarHBondContact OE2-NH1 3.27Å; E211-R282 IonicContact OE2-NH2 2.71Å; W278-R282 VanDerWaalsContact CH2-CD 3.44Å; W278-R282 HydrophobicContact CZ2-CG 4.5Å; W278-R282 WeakPolarHBondContact O-CB 3.44Å; W278-R282 PolarHBondContact O-N 2.87Å; Q279-R282 PolarHBondContact O-N 2.83Å; Q279-R282 VanDerWaalsContact OE1-NE 3.1Å; R282-K285 PolarHBondContact O-N 3.18Å; R282-N286 WeakPolarHBondContact O-CB 3.25Å; R282-N286 PolarHBondContact O-N 2.79Å
283	F	98.5	Very high	97.5	Very high	5 Å²	5	47 Å²	47	2%	0.022	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-46.5	176.8	-172.3	-102.1	0	0	0	111.6	V239 Q279 R280 R281 K285 N286 I287 I322 V377 L379 F404 I425	V239-F283 HydrophobicContact CG1-CB 4.26Å; V239-F283 HydrophobicContact CG1-CD1 3.56Å; V239-F283 HydrophobicContact CG1-CD2 4.08Å; V239-F283 HydrophobicContact CG1-CE1 3.77Å; V239-F283 HydrophobicContact CG1-CE2 4.28Å; V239-F283 HydrophobicContact CG1-CG 3.7Å; V239-F283 HydrophobicContact CG1-CZ 4.12Å; Q279-F283 WeakPolarHBondContact O-CB 3.04Å; Q279-F283 PolarHBondContact O-N 3.27Å; R280-F283 PolarHBondContact O-N 2.83Å; R281-F283 VanDerWaalsContact C-N 3.34Å; R281-F283 PolarHBondContact O-N 3.49Å; F283-K285 VanDerWaalsContact C-N 3.34Å; F283-K285 PolarHBondContact O-N 2.81Å; F283-N286 PolarHBondContact O-N 3.48Å; F283-I287 HydrophobicContact CD1-CD1 3.92Å; F283-I287 HydrophobicContact CE1-CD1 3.74Å; F283-I287 HydrophobicContact CE1-CG1 4.36Å; F283-I287 WeakPolarHBondContact O-CG1 3.1Å; F283-I287 PolarHBondContact O-N 3.29Å; F283-I287 VanDerWaalsContact O-N 3.08Å; F283-I322 HydrophobicContact CD1-CD1 3.76Å; F283-I322 HydrophobicContact CD1-CG1 4.48Å; F283-I322 HydrophobicContact CE1-CD1 4.41Å; F283-V377 HydrophobicContact CE1-CG1 3.65Å; F283-V377 HydrophobicContact CZ-CG1 4.18Å; F283-L379 HydrophobicContact CD1-CD2 4.32Å; F283-L379 HydrophobicContact CE1-CD2 3.73Å; F283-F404 HydrophobicContact CZ-CB 3.86Å; F283-I425 HydrophobicContact CD2-CD1 3.57Å; F283-I425 HydrophobicContact CD2-CG1 3.49Å; F283-I425 VanDerWaalsContact CD2-CG1 3.49Å; F283-I425 HydrophobicContact CE2-CD1 3.96Å; F283-I425 HydrophobicContact CE2-CG1 3.7Å; F283-I425 HydrophobicContact CG-CD1 4.2Å
284	A	98.4	Very high	97.5	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-43.8	175	0	0	0	0	0	112.3	R280 R281 N286 I287 I288 I322 Y325	R280-A284 PolarHBondContact O-N 3.02Å; R280-A284 VanDerWaalsContact O-N 3.11Å; R281-A284 PolarHBondContact O-N 3.3Å; A284-N286 VanDerWaalsContact C-N 3.34Å; A284-N286 PolarHBondContact O-N 3.28Å; A284-I287 WeakPolarHBondContact O-CB 3.29Å; A284-I287 PolarHBondContact O-N 3.1Å; A284-I287 VanDerWaalsContact O-N 3.14Å; A284-I288 WeakPolarHBondContact O-CD1 3.08Å; A284-I288 WeakPolarHBondContact O-CG1 3.49Å; A284-I288 PolarHBondContact O-N 2.93Å; A284-I288 VanDerWaalsContact O-N 3.1Å; A284-I322 HydrophobicContact CB-CG2 4.41Å; A284-Y325 HydrophobicContact CB-CD2 3.92Å; A284-Y325 HydrophobicContact CB-CG 4.14Å
285	K	97.8	Very high	97.4	Very high	115 Å²	115	45.8 Å²	45.8	50%	0.5	22%	0.216	S	C	.	.	H	α-helix	trans	-58.5	-44.7	174.8	-168.8	-165.9	-177.8	-51.8	0	111.7	R281 R282 F283 I287 I288 D289	R281-K285 WeakPolarHBondContact O-CB 3.41Å; R281-K285 PolarHBondContact O-N 2.93Å; R282-K285 PolarHBondContact O-N 3.18Å; F283-K285 VanDerWaalsContact C-N 3.34Å; F283-K285 PolarHBondContact O-N 2.81Å; K285-I287 VanDerWaalsContact C-N 3.28Å; K285-I287 PolarHBondContact O-N 3.39Å; K285-I288 PolarHBondContact O-N 2.74Å; K285-I288 VanDerWaalsContact O-N 3.11Å; K285-D289 IonicContact NZ-OD1 2.72Å; K285-D289 PolarHBondContact NZ-OD1 2.71Å; K285-D289 IonicContact NZ-OD2 3.17Å; K285-D289 PolarHBondContact NZ-OD2 3.13Å; K285-D289 VanDerWaalsContact O-CG 3.24Å; K285-D289 PolarHBondContact O-N 2.9Å
286	N	97.4	Very high	97.3	Very high	32 Å²	32	49.1 Å²	49.1	17%	0.171	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-37.8	177	-178.4	55.8	0	0	0	111.7	R282 F283 A284 I288 R290	R282-N286 WeakPolarHBondContact O-CB 3.25Å; R282-N286 PolarHBondContact O-N 2.79Å; F283-N286 PolarHBondContact O-N 3.48Å; A284-N286 VanDerWaalsContact C-N 3.34Å; A284-N286 PolarHBondContact O-N 3.28Å; N286-I288 VanDerWaalsContact C-N 3.34Å; N286-I288 PolarHBondContact O-N 3.14Å; N286-R290 VanDerWaalsContact O-CB 3.25Å; N286-R290 WeakPolarHBondContact O-CB 3.43Å; N286-R290 WeakPolarHBondContact O-CG 3.43Å; N286-R290 PolarHBondContact O-N 3.2Å; N286-R290 WeakPolarHBondContact OD1-CG 3.48Å
287	I	98.6	Very high	97.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-48.3	173	-61.6	167	0	0	0	110.4	F283 A284 K285 L291 I322 L326 V377 F404	F283-I287 HydrophobicContact CD1-CD1 3.92Å; F283-I287 HydrophobicContact CE1-CD1 3.74Å; F283-I287 HydrophobicContact CE1-CG1 4.36Å; F283-I287 WeakPolarHBondContact O-CG1 3.1Å; F283-I287 PolarHBondContact O-N 3.29Å; F283-I287 VanDerWaalsContact O-N 3.08Å; A284-I287 WeakPolarHBondContact O-CB 3.29Å; A284-I287 PolarHBondContact O-N 3.1Å; A284-I287 VanDerWaalsContact O-N 3.14Å; K285-I287 VanDerWaalsContact C-N 3.28Å; K285-I287 PolarHBondContact O-N 3.39Å; I287-L291 HydrophobicContact CG2-CD1 3.77Å; I287-L291 WeakPolarHBondContact O-CB 3.45Å; I287-L291 VanDerWaalsContact O-CG 3.31Å; I287-L291 WeakPolarHBondContact O-CG 3.44Å; I287-L291 PolarHBondContact O-N 2.98Å; I287-I322 HydrophobicContact CD1-CG2 4.27Å; I287-L326 HydrophobicContact CB-CD2 4.17Å; I287-L326 HydrophobicContact CD1-CD1 4.24Å; I287-L326 HydrophobicContact CD1-CD2 4.42Å; I287-L326 HydrophobicContact CG2-CD2 3.88Å; I287-V377 HydrophobicContact CD1-CG1 3.81Å; I287-V377 HydrophobicContact CD1-CG2 3.89Å; I287-F404 HydrophobicContact CB-CD1 4.41Å; I287-F404 HydrophobicContact CB-CE1 4.33Å; I287-F404 HydrophobicContact CB-CE2 4.44Å; I287-F404 HydrophobicContact CB-CZ 4.35Å; I287-F404 HydrophobicContact CG1-CB 4.1Å; I287-F404 HydrophobicContact CG1-CD1 3.73Å; I287-F404 HydrophobicContact CG1-CD2 4.06Å; I287-F404 HydrophobicContact CG1-CE1 4.15Å; I287-F404 HydrophobicContact CG1-CE2 4.43Å; I287-F404 HydrophobicContact CG1-CG 3.69Å; I287-F404 HydrophobicContact CG1-CZ 4.48Å; I287-F404 HydrophobicContact CG2-CD2 4.17Å; I287-F404 HydrophobicContact CG2-CE2 3.95Å; I287-F404 HydrophobicContact CG2-CZ 4.23Å
288	I	98.3	Very high	97.1	Very high	19 Å²	19	53 Å²	53	10%	0.097	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-49.5	-177.9	-62.8	154.2	0	0	0	111.4	A284 K285 N286 R290 L291 S293 V295 L326 E329	A284-I288 WeakPolarHBondContact O-CD1 3.08Å; A284-I288 WeakPolarHBondContact O-CG1 3.49Å; A284-I288 PolarHBondContact O-N 2.93Å; A284-I288 VanDerWaalsContact O-N 3.1Å; K285-I288 PolarHBondContact O-N 2.74Å; K285-I288 VanDerWaalsContact O-N 3.11Å; N286-I288 VanDerWaalsContact C-N 3.34Å; N286-I288 PolarHBondContact O-N 3.14Å; I288-R290 VanDerWaalsContact C-N 3.31Å; I288-R290 PolarHBondContact O-N 3.14Å; I288-L291 CarbonylContact O-C 3.54Å; I288-L291 PolarHBondContact O-N 3.16Å; I288-S293 VanDerWaalsContact O-CA 3.28Å; I288-S293 WeakPolarHBondContact O-CA 3.34Å; I288-S293 PolarHBondContact O-N 3.01Å; I288-V295 HydrophobicContact CB-CG1 4.36Å; I288-V295 HydrophobicContact CG1-CG1 3.93Å; I288-V295 HydrophobicContact CG1-CG2 4.04Å; I288-L326 HydrophobicContact CG1-CD2 4.1Å; I288-E329 HydrophobicContact CD1-CB 4.27Å; I288-E329 HydrophobicContact CD1-CG 3.72Å
289	D	97.2	Very high	97.1	Very high	67 Å²	67	51.2 Å²	51.2	36%	0.358	24%	0.243	S	C	.	.	H	α-helix	trans	-57.3	-46.7	180	-67.4	-16.5	0	0	0	110.7	K285 F292 S293	K285-D289 IonicContact NZ-OD1 2.72Å; K285-D289 PolarHBondContact NZ-OD1 2.71Å; K285-D289 IonicContact NZ-OD2 3.17Å; K285-D289 PolarHBondContact NZ-OD2 3.13Å; K285-D289 VanDerWaalsContact O-CG 3.24Å; K285-D289 PolarHBondContact O-N 2.9Å; D289-F292 PolarHBondContact O-N 3.16Å; D289-S293 PolarHBondContact O-N 2.86Å; D289-S293 VanDerWaalsContact O-N 3.16Å
290	R	96.4	Very high	97.1	Very high	97 Å²	97	51.2 Å²	51.2	37%	0.366	24%	0.243	S	C	.	.	H	α-helix	trans	-74.7	-24.2	-177	-63.8	-59.3	-177.8	165.4	2.4	113.5	N286 I288 F292 F402 F404 H423 E431	N286-R290 VanDerWaalsContact O-CB 3.25Å; N286-R290 WeakPolarHBondContact O-CB 3.43Å; N286-R290 WeakPolarHBondContact O-CG 3.43Å; N286-R290 PolarHBondContact O-N 3.2Å; N286-R290 WeakPolarHBondContact OD1-CG 3.48Å; I288-R290 VanDerWaalsContact C-N 3.31Å; I288-R290 PolarHBondContact O-N 3.14Å; R290-F292 PolarHBondContact O-N 3.39Å; R290-F292 VanDerWaalsContact O-N 3.17Å; R290-F402 WeakPolarHBondContact O-CE1 3.49Å; R290-F404 HydrophobicContact CB-CE1 3.75Å; R290-F404 HydrophobicContact CB-CZ 3.69Å; R290-F404 HydrophobicContact CG-CE1 4.11Å; R290-H423 VanDerWaalsContact CD-CE1 3.42Å; R290-H423 WeakPolarHBondContact CD-CE1 3.37Å; R290-E431 IonicContact CZ-OE1 3.66Å; R290-E431 IonicContact NH1-OE1 2.82Å; R290-E431 PolarHBondContact NH1-OE1 3.21Å
291	L	96.7	Very high	97.1	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	39.2	166.7	-66.8	175.2	0	0	0	111.6	I287 I288 V295 K298 A375 F402 F404	I287-L291 HydrophobicContact CG2-CD1 3.77Å; I287-L291 WeakPolarHBondContact O-CB 3.45Å; I287-L291 VanDerWaalsContact O-CG 3.31Å; I287-L291 WeakPolarHBondContact O-CG 3.44Å; I287-L291 PolarHBondContact O-N 2.98Å; I288-L291 CarbonylContact O-C 3.54Å; I288-L291 PolarHBondContact O-N 3.16Å; L291-V295 HydrophobicContact CB-CG1 4.13Å; L291-V295 HydrophobicContact CD1-CG1 3.78Å; L291-K298 PolarHBondContact O-NZ 2.86Å; L291-A375 HydrophobicContact CD1-CB 3.88Å; L291-A375 HydrophobicContact CD2-CB 4.19Å; L291-F402 HydrophobicContact CD2-CB 4.12Å; L291-F402 HydrophobicContact CD2-CD1 4.35Å; L291-F402 HydrophobicContact CD2-CD2 3.4Å; L291-F402 HydrophobicContact CD2-CE2 3.77Å; L291-F402 HydrophobicContact CD2-CG 3.72Å; L291-F402 HydrophobicContact CD2-CZ 4.41Å; L291-F404 HydrophobicContact CD1-CE2 4.41Å; L291-F404 HydrophobicContact CD2-CE2 4.5Å; L291-F404 HydrophobicContact CG-CE2 4.24Å; L291-F404 HydrophobicContact CG-CZ 4.32Å
292	F	94.2	Very high	97.2	Very high	137 Å²	137	45.9 Å²	45.9	60%	0.601	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	40.9	175.9	-44.5	-75.1	0	0	0	113.6	D289 R290 T294 P400 F402	D289-F292 PolarHBondContact O-N 3.16Å; R290-F292 PolarHBondContact O-N 3.39Å; R290-F292 VanDerWaalsContact O-N 3.17Å; F292-T294 PolarHBondContact O-N 3.22Å; F292-T294 VanDerWaalsContact O-N 3.09Å; F292-P400 HydrophobicContact CE2-CG 4.49Å; F292-P400 HydrophobicContact CZ-CG 4.22Å; F292-F402 HydrophobicContact CE2-CE2 4.1Å; F292-F402 HydrophobicContact CE2-CZ 4.09Å; F292-F402 HydrophobicContact CZ-CE2 4.36Å; F292-F402 AromaticContact CZ-CZ 3.99Å; F292-F402 HydrophobicContact CZ-CZ 3.99Å
293	S	94.2	Very high	97.2	Very high	92 Å²	92	43.9 Å²	43.9	64%	0.643	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	18.5	176.8	-53.9	0	0	0	0	115.5	I288 D289	I288-S293 VanDerWaalsContact O-CA 3.28Å; I288-S293 WeakPolarHBondContact O-CA 3.34Å; I288-S293 PolarHBondContact O-N 3.01Å; D289-S293 PolarHBondContact O-N 2.86Å; D289-S293 VanDerWaalsContact O-N 3.16Å
294	T	95.6	Very high	97.2	Very high	62 Å²	62	43.6 Å²	43.6	38%	0.38	21%	0.214	S	C	.	.			trans	-156.1	138.3	172.4	-176.8	0	0	0	0	111.2	F292 H296 K298	F292-T294 PolarHBondContact O-N 3.22Å; F292-T294 VanDerWaalsContact O-N 3.09Å; T294-H296 PolarHBondContact OG1-N 3.34Å; T294-K298 WeakPolarHBondContact O-CE 3.29Å; T294-K298 PolarHBondContact O-NZ 3.13Å
295	V	97	Very high	97.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.			trans	-113.4	6.3	172.3	-64.4	0	0	0	0	112.7	I288 L291 D297 K298 E329 A331	I288-V295 HydrophobicContact CB-CG1 4.36Å; I288-V295 HydrophobicContact CG1-CG1 3.93Å; I288-V295 HydrophobicContact CG1-CG2 4.04Å; L291-V295 HydrophobicContact CB-CG1 4.13Å; L291-V295 HydrophobicContact CD1-CG1 3.78Å; V295-D297 PolarHBondContact O-N 3.25Å; V295-K298 WeakPolarHBondContact O-CB 3.24Å; V295-K298 PolarHBondContact O-N 3.21Å; V295-E329 HydrophobicContact CG2-CB 3.54Å; V295-A331 HydrophobicContact CB-CB 3.98Å; V295-A331 HydrophobicContact CG2-CB 3.82Å; V295-A331 VanDerWaalsContact O-CA 3.3Å; V295-A331 WeakPolarHBondContact O-CA 3.48Å
296	H	95.6	Very high	96.8	Very high	114 Å²	114	38 Å²	38	53%	0.528	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	128.2	180	-170.6	-79.3	0	0	0	111.1	T294 K298 E329 G330	T294-H296 PolarHBondContact OG1-N 3.34Å; H296-K298 PolarHBondContact O-N 2.82Å; H296-E329 PolarHBondContact N-O 3.21Å; H296-G330 WeakPolarHBondContact CA-O 3.07Å
297	D	94.4	Very high	96.6	Very high	85 Å²	85	38 Å²	38	46%	0.455	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	4.1	-176.5	-75.7	-50.4	0	0	0	116.5	V295 G330 K332	V295-D297 PolarHBondContact O-N 3.25Å; D297-G330 PolarHBondContact N-O 3.48Å; D297-K332 WeakPolarHBondContact OD1-CE 3.12Å; D297-K332 IonicContact OD1-NZ 3.51Å; D297-K332 PolarHBondContact OD1-NZ 3.16Å
298	K	98	Very high	96.3	Very high	32 Å²	32	40.4 Å²	40.4	14%	0.139	20%	0.198	C	C	.	.			trans	-83.6	129.9	177.3	-63.7	-176.5	-173	161.9	0	110.6	L291 T294 V295 H296 K332 H374	L291-K298 PolarHBondContact O-NZ 2.86Å; T294-K298 WeakPolarHBondContact O-CE 3.29Å; T294-K298 PolarHBondContact O-NZ 3.13Å; V295-K298 WeakPolarHBondContact O-CB 3.24Å; V295-K298 PolarHBondContact O-N 3.21Å; H296-K298 PolarHBondContact O-N 2.82Å; K298-K332 PolarHBondContact O-N 3.42Å; K298-H374 HydrophobicContact CB-CB 4.31Å
299	W	98.4	Very high	95.9	Very high	59 Å²	59	42.4 Å²	42.4	22%	0.223	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126	168.1	-75.3	104.1	0	0	0	111.7	K332 N334 E361 H374	W299-K332 CarbonylContact C-O 3.43Å; W299-K332 VanDerWaalsContact CA-O 3.29Å; W299-K332 WeakPolarHBondContact CA-O 3.26Å; W299-K332 HydrophobicContact CD2-CB 3.46Å; W299-K332 VanDerWaalsContact CD2-CB 3.46Å; W299-K332 HydrophobicContact CD2-CD 4.29Å; W299-K332 HydrophobicContact CD2-CG 4.48Å; W299-K332 HydrophobicContact CE3-CB 3.44Å; W299-K332 VanDerWaalsContact CE3-CB 3.44Å; W299-K332 HydrophobicContact CG-CB 4.09Å; W299-K332 HydrophobicContact CH2-CB 3.97Å; W299-K332 HydrophobicContact CZ2-CB 3.97Å; W299-K332 HydrophobicContact CZ2-CD 3.84Å; W299-K332 HydrophobicContact CZ3-CB 3.7Å; W299-N334 VanDerWaalsContact CE3-OD1 3.25Å; W299-N334 WeakPolarHBondContact CZ3-OD1 3.2Å; W299-E361 HydrophobicContact CH2-CG 3.89Å; W299-E361 HydrophobicContact CZ3-CB 4.45Å; W299-E361 HydrophobicContact CZ3-CG 4.23Å; W299-H374 PolarHBondContact N-ND1 3.12Å; W299-H374 VanDerWaalsContact N-ND1 3.14Å; W299-H374 PolarHBondContact O-N 3.44Å; W299-H374 PolarHBondContact O-ND1 3.26Å
300	V	98.8	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.8	175.6	-176.7	0	0	0	0	108.7	I302 L326 A331 K332 L333 N334 A375 V377	V300-I302 HydrophobicContact CG1-CD1 3.82Å; V300-L326 HydrophobicContact CG1-CD1 4.3Å; V300-A331 HydrophobicContact CG2-CB 4.41Å; V300-K332 PolarHBondContact N-O 3.14Å; V300-L333 HydrophobicContact CB-CD2 3.96Å; V300-L333 WeakPolarHBondContact O-CA 3.32Å; V300-N334 PolarHBondContact O-N 3.4Å; V300-A375 WeakPolarHBondContact CA-O 3.09Å; V300-A375 HydrophobicContact CG1-CB 4.3Å; V300-V377 HydrophobicContact CG1-CB 4.43Å; V300-V377 HydrophobicContact CG1-CG2 3.38Å
301	A	98.9	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.6	173.9	0	0	0	0	0	109.9	N334 A369 A373 A375 L376 V377	A301-N334 CarbonylContact C-O 3.56Å; A301-N334 WeakPolarHBondContact CA-O 3.3Å; A301-A369 WeakPolarHBondContact CB-O 3.1Å; A301-A373 HydrophobicContact CB-CB 4.02Å; A301-A375 PolarHBondContact N-O 2.9Å; A301-L376 HydrophobicContact CB-CD1 4.11Å; A301-L376 CarbonylContact O-C 3.52Å; A301-L376 WeakPolarHBondContact O-CA 3.41Å; A301-V377 PolarHBondContact O-N 3.18Å
302	I	98.6	Very high	94.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	112.6	179.8	-53.7	-60.4	0	0	0	108.9	V300 L326 L333 N334 V335 Y336 V377 L379	V300-I302 HydrophobicContact CG1-CD1 3.82Å; I302-L326 HydrophobicContact CD1-CD1 4.26Å; I302-L333 HydrophobicContact CD1-CD2 4.26Å; I302-L333 HydrophobicContact CG1-CB 4.44Å; I302-L333 HydrophobicContact CG1-CD2 4.23Å; I302-N334 PolarHBondContact N-O 3.14Å; I302-V335 HydrophobicContact CB-CG1 4.43Å; I302-V335 HydrophobicContact CB-CG2 4.21Å; I302-V335 HydrophobicContact CG1-CG2 4.37Å; I302-Y336 PolarHBondContact O-N 2.93Å; I302-V377 HydrophobicContact CD1-CB 4Å; I302-V377 HydrophobicContact CD1-CG2 4.24Å; I302-L379 HydrophobicContact CD1-CD1 4.49Å; I302-L379 HydrophobicContact CG2-CD1 3.7Å; I302-L379 HydrophobicContact CG2-CG 4.37Å
303	F	98.7	Very high	93.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	104.8	175.2	-84.3	21.8	0	0	0	109.7	A366 A369 C370 L376 V377 V378 L379 T380 F385 L388 I393	F303-A366 HydrophobicContact CE1-CB 3.99Å; F303-A366 HydrophobicContact CE2-CB 3.98Å; F303-A366 HydrophobicContact CZ-CB 3.51Å; F303-A366 WeakPolarHBondContact CZ-O 3.32Å; F303-A369 HydrophobicContact CE1-CB 4.31Å; F303-C370 VanDerWaalsContact CZ-SG 3.52Å; F303-L376 HydrophobicContact CB-CD1 4.13Å; F303-L376 HydrophobicContact CD1-CD1 3.41Å; F303-L376 VanDerWaalsContact CD1-CD1 3.41Å; F303-L376 HydrophobicContact CD2-CD1 3.61Å; F303-L376 HydrophobicContact CD2-CD2 4.36Å; F303-L376 HydrophobicContact CE1-CD1 3.49Å; F303-L376 VanDerWaalsContact CE1-CD1 3.49Å; F303-L376 HydrophobicContact CE2-CD1 3.66Å; F303-L376 HydrophobicContact CE2-CD2 3.95Å; F303-L376 HydrophobicContact CE2-CG 4.47Å; F303-L376 HydrophobicContact CG-CD1 3.46Å; F303-L376 VanDerWaalsContact CG-CD1 3.46Å; F303-L376 HydrophobicContact CZ-CD1 3.6Å; F303-L376 HydrophobicContact CZ-CD2 4.23Å; F303-V377 PolarHBondContact N-O 3.49Å; F303-V378 HydrophobicContact CB-CG2 4.27Å; F303-V378 HydrophobicContact CD2-CG2 4.47Å; F303-L379 PolarHBondContact O-N 3.15Å; F303-T380 PolarHBondContact O-N 2.82Å; F303-F385 VanDerWaalsContact C-CE2 3.5Å; F303-F385 HydrophobicContact CB-CD2 3.96Å; F303-F385 HydrophobicContact CB-CE1 4.33Å; F303-F385 HydrophobicContact CB-CE2 3.57Å; F303-F385 HydrophobicContact CB-CG 4.48Å; F303-F385 HydrophobicContact CB-CZ 3.78Å; F303-F385 HydrophobicContact CD2-CB 4.44Å; F303-F385 AromaticContact CD2-CD1 3.89Å; F303-F385 HydrophobicContact CD2-CD1 3.89Å; F303-F385 HydrophobicContact CD2-CD2 4.23Å; F303-F385 HydrophobicContact CD2-CE1 4.16Å; F303-F385 HydrophobicContact CD2-CE2 4.46Å; F303-F385 AromaticContact CD2-CG 3.94Å; F303-F385 HydrophobicContact CD2-CG 3.94Å; F303-F385 HydrophobicContact CD2-CZ 4.43Å; F303-F385 HydrophobicContact CE2-CD1 4.49Å; F303-F385 HydrophobicContact CG-CD1 4.42Å; F303-F385 HydrophobicContact CG-CE1 4.25Å; F303-F385 HydrophobicContact CG-CE2 4.31Å; F303-F385 HydrophobicContact CG-CZ 4.18Å; F303-L388 HydrophobicContact CD2-CD1 4.27Å; F303-L388 HydrophobicContact CE2-CD1 3.48Å; F303-L388 VanDerWaalsContact CE2-CD1 3.48Å; F303-L388 HydrophobicContact CZ-CD1 4.17Å; F303-I393 HydrophobicContact CE2-CD1 4.35Å; F303-I393 HydrophobicContact CZ-CD1 4.29Å
304	G	97.5	Very high	93.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.			trans	98.7	130.3	179.3	0	0	0	0	0	113.5	S319 Y336 D337 T380	G304-S319 PolarHBondContact O-OG 2.84Å; G304-Y336 PolarHBondContact N-O 3.39Å; G304-D337 WeakPolarHBondContact CA-OD2 3.3Å; G304-T380 VanDerWaalsContact C-OG1 3.25Å; G304-T380 VanDerWaalsContact CA-OG1 3.27Å; G304-T380 WeakPolarHBondContact CA-OG1 3.39Å
305	F	95.7	Very high	93.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.			trans	-128.4	-27.7	-179.6	-157	-99.9	0	0	0	112.3	T314 S317 I320 V335 D337 V340 I345 L350 T380	F305-T314 HydrophobicContact CD1-CG2 3.61Å; F305-T314 HydrophobicContact CE1-CG2 4.17Å; F305-S317 VanDerWaalsContact O-CB 3.29Å; F305-S317 WeakPolarHBondContact O-CB 3.32Å; F305-S317 PolarHBondContact O-OG 3.38Å; F305-I320 HydrophobicContact CE1-CD1 4.4Å; F305-I320 HydrophobicContact CE1-CG1 3.89Å; F305-I320 HydrophobicContact CE2-CG1 4.37Å; F305-I320 HydrophobicContact CZ-CG1 3.66Å; F305-V335 HydrophobicContact CB-CG1 4.18Å; F305-V335 HydrophobicContact CD2-CG1 3.79Å; F305-V335 HydrophobicContact CG-CG1 4.23Å; F305-D337 HydrophobicContact CB-CB 3.92Å; F305-D337 PolarHBondContact N-OD2 3.3Å; F305-V340 HydrophobicContact CB-CG2 4.4Å; F305-V340 HydrophobicContact CD1-CG1 4.24Å; F305-I345 HydrophobicContact CB-CG1 4.38Å; F305-I345 HydrophobicContact CD1-CB 4.36Å; F305-I345 HydrophobicContact CD1-CG1 3.77Å; F305-I345 HydrophobicContact CD1-CG2 4.39Å; F305-I345 HydrophobicContact CD2-CG2 4.36Å; F305-I345 HydrophobicContact CE1-CB 4.34Å; F305-I345 HydrophobicContact CE1-CG1 4.24Å; F305-I345 HydrophobicContact CE1-CG2 4.23Å; F305-I345 HydrophobicContact CE2-CG2 4.19Å; F305-I345 HydrophobicContact CG-CG1 4.04Å; F305-I345 HydrophobicContact CG-CG2 4.46Å; F305-I345 HydrophobicContact CZ-CG2 4.14Å; F305-L350 HydrophobicContact CE2-CD1 3.79Å; F305-L350 HydrophobicContact CZ-CD1 3.48Å; F305-L350 VanDerWaalsContact CZ-CD1 3.48Å; F305-T380 PolarHBondContact N-OG1 2.99Å
306	S	92.8	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-65.8	156.1	171.4	62.5	0	0	0	0	111.6	K308 T311 D313 S317 D337 T380 W382	S306-K308 PolarHBondContact O-N 3.2Å; S306-K308 PolarHBondContact OG-O 3.08Å; S306-T311 WeakPolarHBondContact CB-O 3.27Å; S306-T311 PolarHBondContact OG-O 3.21Å; S306-D313 WeakPolarHBondContact CA-O 3.45Å; S306-D313 VanDerWaalsContact CB-O 3.23Å; S306-D313 WeakPolarHBondContact CB-O 3.15Å; S306-S317 PolarHBondContact O-OG 3.49Å; S306-D337 PolarHBondContact N-OD2 3.25Å; S306-D337 VanDerWaalsContact N-OD2 3.13Å; S306-D337 PolarHBondContact OG-OD2 2.71Å; S306-T380 PolarHBondContact O-OG1 3.35Å; S306-W382 WeakPolarHBondContact OG-CZ2 3.31Å
307	F	92.5	Very high	92.8	Very high	31 Å²	31	31.2 Å²	31.2	14%	0.136	15%	0.154	C	C	.	.	S	Bend	trans	-68.9	-22	-174.9	77.6	-95.4	0	0	0	113.5	E134 T311 D313 R407	E134-F307 WeakPolarHBondContact OE2-CE1 3.17Å; F307-T311 HydrophobicContact CD1-CG2 4.3Å; F307-T311 HydrophobicContact CE1-CG2 3.96Å; F307-T311 HydrophobicContact CZ-CG2 4.4Å; F307-D313 HydrophobicContact CD1-CB 4.01Å; F307-D313 WeakPolarHBondContact CD1-O 3.23Å; F307-D313 HydrophobicContact CE1-CB 3.78Å; F307-D313 WeakPolarHBondContact CE1-OD2 3.23Å; F307-D313 PolarHBondContact N-O 2.8Å; F307-R407 PolarHBondContact O-NH2 3.16Å; F307-R407 VanDerWaalsContact O-NH2 3.14Å
308	K	91.8	Very high	92.9	Very high	51 Å²	51	27.2 Å²	27.2	22%	0.222	13%	0.133	C	C	.	.	S	Bend	trans	-154.5	167.8	174.3	67.6	174.7	-175	168.9	0	110.5	E134 S306 T311 E381	E134-K308 WeakPolarHBondContact O-CE 3.46Å; E134-K308 PolarHBondContact O-NZ 2.96Å; S306-K308 PolarHBondContact O-N 3.2Å; S306-K308 PolarHBondContact OG-O 3.08Å; K308-T311 HydrophobicContact CG-CG2 3.73Å; K308-T311 WeakPolarHBondContact O-CG2 3.32Å; K308-E381 WeakPolarHBondContact CA-OE1 3.21Å; K308-E381 WeakPolarHBondContact CB-OE1 3.32Å
309	K	91.8	Very high	92.8	Very high	61 Å²	61	25.7 Å²	25.7	27%	0.265	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	162.7	174.5	72.5	171.7	178.3	179.9	0	112.5	T311 E381 W382 D383	K309-T311 PolarHBondContact O-N 3.36Å; K309-E381 HydrophobicContact CB-CG 4.21Å; K309-E381 HydrophobicContact CD-CG 4.1Å; K309-E381 WeakPolarHBondContact CD-O 3.32Å; K309-E381 HydrophobicContact CG-CG 4.04Å; K309-E381 PolarHBondContact N-OE1 3.29Å; K309-W382 HydrophobicContact CB-CD2 4.08Å; K309-W382 HydrophobicContact CB-CE3 3.94Å; K309-W382 HydrophobicContact CB-CZ3 4.34Å; K309-D383 IonicContact NZ-OD1 3.33Å; K309-D383 PolarHBondContact NZ-OD1 2.91Å; K309-D383 IonicContact NZ-OD2 3.05Å; K309-D383 PolarHBondContact NZ-OD2 3.04Å
310	N	85.6	Confident	92.6	Very high	94 Å²	94	24 Å²	24	50%	0.503	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	21.9	177.2	-56.4	-28.3	0	0	0	115.3	W382	N310-W382 VanDerWaalsContact CA-CZ3 3.48Å
311	T	85	Confident	92.3	Very high	19 Å²	19	26.8 Å²	26.8	12%	0.117	13%	0.132	C	C	.	.			trans	-142.5	152.2	170	-180	0	0	0	0	110.8	E134 S306 F307 K308 K309 D313 W382	E134-T311 VanDerWaalsContact OE2-CB 3.3Å; E134-T311 WeakPolarHBondContact OE2-CB 3.27Å; E134-T311 PolarHBondContact OE2-OG1 2.91Å; S306-T311 WeakPolarHBondContact CB-O 3.27Å; S306-T311 PolarHBondContact OG-O 3.21Å; F307-T311 HydrophobicContact CD1-CG2 4.3Å; F307-T311 HydrophobicContact CE1-CG2 3.96Å; F307-T311 HydrophobicContact CZ-CG2 4.4Å; K308-T311 HydrophobicContact CG-CG2 3.73Å; K308-T311 WeakPolarHBondContact O-CG2 3.32Å; K309-T311 PolarHBondContact O-N 3.36Å; T311-D313 HydrophobicContact CG2-CB 4.43Å; T311-D313 WeakPolarHBondContact OG1-CB 3.13Å; T311-D313 PolarHBondContact OG1-N 3.32Å; T311-W382 WeakPolarHBondContact O-CZ2 3.46Å
312	G	83.8	Confident	92.2	Very high	33 Å²	33	26.8 Å²	26.8	34%	0.34	13%	0.132	S	C	.	.			trans	-92.2	3.7	167.4	0	0	0	0	0	113.2
313	D	85.8	Confident	92.1	Very high	25 Å²	25	26.8 Å²	26.8	13%	0.134	13%	0.132	C	C	.	.			trans	-73.6	134.1	178.1	-174.3	19.3	0	0	0	111.5	E134 S306 F307 T311 R315	E134-D313 VanDerWaalsContact OE1-OD2 3.14Å; E134-D313 WeakPolarHBondContact OE2-CB 3.46Å; S306-D313 WeakPolarHBondContact CA-O 3.45Å; S306-D313 VanDerWaalsContact CB-O 3.23Å; S306-D313 WeakPolarHBondContact CB-O 3.15Å; F307-D313 HydrophobicContact CD1-CB 4.01Å; F307-D313 WeakPolarHBondContact CD1-O 3.23Å; F307-D313 HydrophobicContact CE1-CB 3.78Å; F307-D313 WeakPolarHBondContact CE1-OD2 3.23Å; F307-D313 PolarHBondContact N-O 2.8Å; T311-D313 HydrophobicContact CG2-CB 4.43Å; T311-D313 WeakPolarHBondContact OG1-CB 3.13Å; T311-D313 PolarHBondContact OG1-N 3.32Å; D313-R315 VanDerWaalsContact CG-NE 3.27Å; D313-R315 WeakPolarHBondContact OD1-CB 3.26Å; D313-R315 VanDerWaalsContact OD1-CG 3.23Å; D313-R315 WeakPolarHBondContact OD1-CG 3.38Å; D313-R315 IonicContact OD1-CZ 2.74Å; D313-R315 PolarHBondContact OD1-N 2.92Å; D313-R315 IonicContact OD1-NE 3.79Å; D313-R315 PolarHBondContact OD1-NE 2.99Å; D313-R315 IonicContact OD2-CZ 3.28Å; D313-R315 IonicContact OD2-NE 2.79Å; D313-R315 PolarHBondContact OD2-NE 3.35Å; D313-R315 IonicContact OD2-NH2 3.03Å; D313-R315 PolarHBondContact OD2-NH2 2.94Å
314	T	89.9	Confident	91.7	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.037	15%	0.149	C	C	.	.			trans	-122	-2.8	-171.9	40.7	0	0	0	0	111.9	F305 E316 S317 I320 V340 F348	F305-T314 HydrophobicContact CD1-CG2 3.61Å; F305-T314 HydrophobicContact CE1-CG2 4.17Å; T314-E316 PolarHBondContact O-N 2.88Å; T314-S317 WeakPolarHBondContact O-CB 3.36Å; T314-S317 PolarHBondContact O-N 3.45Å; T314-I320 WeakPolarHBondContact O-CD1 3.29Å; T314-V340 HydrophobicContact CG2-CB 4.3Å; T314-V340 HydrophobicContact CG2-CG1 3.58Å; T314-V340 HydrophobicContact CG2-CG2 3.63Å; T314-F348 WeakPolarHBondContact OG1-CE2 3.34Å; T314-F348 VanDerWaalsContact OG1-CZ 3.28Å; T314-F348 WeakPolarHBondContact OG1-CZ 3.22Å
315	R	87.6	Confident	91.6	Very high	94 Å²	94	33.6 Å²	33.6	36%	0.355	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	127.5	178.6	-69.8	173.2	-61.4	173.4	1.2	110.6	E134 G243 S244 D313 S317	E134-R315 IonicContact OE1-NH2 3.77Å; E134-R315 PolarHBondContact OE1-NH2 3.19Å; G243-R315 WeakPolarHBondContact CA-O 3.46Å; G243-R315 PolarHBondContact N-O 3.47Å; S244-R315 PolarHBondContact OG-NH1 2.66Å; S244-R315 VanDerWaalsContact OG-NH1 3.13Å; S244-R315 PolarHBondContact OG-NH2 2.95Å; D313-R315 VanDerWaalsContact CG-NE 3.27Å; D313-R315 WeakPolarHBondContact OD1-CB 3.26Å; D313-R315 VanDerWaalsContact OD1-CG 3.23Å; D313-R315 WeakPolarHBondContact OD1-CG 3.38Å; D313-R315 IonicContact OD1-CZ 2.74Å; D313-R315 PolarHBondContact OD1-N 2.92Å; D313-R315 IonicContact OD1-NE 3.79Å; D313-R315 PolarHBondContact OD1-NE 2.99Å; D313-R315 IonicContact OD2-CZ 3.28Å; D313-R315 IonicContact OD2-NE 2.79Å; D313-R315 PolarHBondContact OD2-NE 3.35Å; D313-R315 IonicContact OD2-NH2 3.03Å; D313-R315 PolarHBondContact OD2-NH2 2.94Å; R315-S317 PolarHBondContact O-N 3.48Å
316	E	90.3	Very high	91.6	Very high	66 Å²	66	33.6 Å²	33.6	31%	0.308	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	23.8	-177.6	-49.2	-53.5	116.9	0	0	114.4	G242 Q247 R280 T314 S318 Y321	G242-E316 WeakPolarHBondContact CA-O 3.37Å; Q247-E316 PolarHBondContact NE2-OE2 3.31Å; R280-E316 PolarHBondContact NH2-O 3.34Å; T314-E316 PolarHBondContact O-N 2.88Å; E316-S318 PolarHBondContact O-N 2.88Å; E316-Y321 PolarHBondContact OE2-OH 2.72Å
317	S	94.1	Very high	91.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.			trans	-61.3	130.7	-179.8	177	0	0	0	0	110.8	F305 S306 T314 R315 S319 I320 Y321	F305-S317 VanDerWaalsContact O-CB 3.29Å; F305-S317 WeakPolarHBondContact O-CB 3.32Å; F305-S317 PolarHBondContact O-OG 3.38Å; S306-S317 PolarHBondContact O-OG 3.49Å; T314-S317 WeakPolarHBondContact O-CB 3.36Å; T314-S317 PolarHBondContact O-N 3.45Å; R315-S317 PolarHBondContact O-N 3.48Å; S317-S319 PolarHBondContact O-N 2.87Å; S317-S319 VanDerWaalsContact O-N 3.1Å; S317-S319 PolarHBondContact OG-N 3.08Å; S317-I320 WeakPolarHBondContact O-CB 3.47Å; S317-I320 PolarHBondContact O-N 2.93Å; S317-Y321 WeakPolarHBondContact O-CD2 3.24Å
318	S	96.1	Very high	91.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-56.8	-26.6	174.7	-64.4	0	0	0	0	112.3	G240 F241 R280 E316 I320 Y321 I322	G240-S318 VanDerWaalsContact C-OG 3.25Å; G240-S318 PolarHBondContact O-OG 3.32Å; F241-S318 PolarHBondContact O-OG 3.12Å; R280-S318 PolarHBondContact NE-OG 2.99Å; R280-S318 VanDerWaalsContact NE-OG 3.13Å; E316-S318 PolarHBondContact O-N 2.88Å; S318-I320 VanDerWaalsContact C-N 3.31Å; S318-I320 PolarHBondContact O-N 3.4Å; S318-Y321 PolarHBondContact O-N 3.28Å; S318-I322 WeakPolarHBondContact O-CG1 3.23Å; S318-I322 PolarHBondContact O-N 2.88Å; S318-I322 VanDerWaalsContact O-N 3.08Å
319	S	96	Very high	91.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-39.3	172.9	-55.5	0	0	0	0	112.7	G304 S317 Y321 I322 C323 L379	G304-S319 PolarHBondContact O-OG 2.84Å; S317-S319 PolarHBondContact O-N 2.87Å; S317-S319 VanDerWaalsContact O-N 3.1Å; S317-S319 PolarHBondContact OG-N 3.08Å; S319-Y321 PolarHBondContact O-N 2.81Å; S319-I322 PolarHBondContact O-N 3.4Å; S319-C323 VanDerWaalsContact O-CB 3.24Å; S319-C323 WeakPolarHBondContact O-CB 3.42Å; S319-C323 PolarHBondContact O-N 3.25Å; S319-C323 PolarHBondContact O-SG 2.88Å; S319-L379 WeakPolarHBondContact OG-CB 3.44Å
320	I	93.1	Very high	91.7	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.118	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-46	179.6	-65.8	171.4	0	0	0	110.4	F305 T314 S317 S318 K324 F348	F305-I320 HydrophobicContact CE1-CD1 4.4Å; F305-I320 HydrophobicContact CE1-CG1 3.89Å; F305-I320 HydrophobicContact CE2-CG1 4.37Å; F305-I320 HydrophobicContact CZ-CG1 3.66Å; T314-I320 WeakPolarHBondContact O-CD1 3.29Å; S317-I320 WeakPolarHBondContact O-CB 3.47Å; S317-I320 PolarHBondContact O-N 2.93Å; S318-I320 VanDerWaalsContact C-N 3.31Å; S318-I320 PolarHBondContact O-N 3.4Å; I320-K324 WeakPolarHBondContact O-CB 3.24Å; I320-K324 PolarHBondContact O-N 3.45Å; I320-F348 HydrophobicContact CD1-CB 4.29Å; I320-F348 HydrophobicContact CD1-CD1 3.74Å; I320-F348 HydrophobicContact CD1-CE1 4.27Å; I320-F348 HydrophobicContact CD1-CG 3.95Å
321	Y	93.8	Very high	92.2	Very high	58 Å²	58	31.9 Å²	31.9	23%	0.227	16%	0.16	C	C	.	.	H	α-helix	trans	-66.3	-44.2	-179.5	-66.8	-91.6	0	0	0	112.1	E316 S317 S318 S319 K324 Y325	E316-Y321 PolarHBondContact OE2-OH 2.72Å; S317-Y321 WeakPolarHBondContact O-CD2 3.24Å; S318-Y321 PolarHBondContact O-N 3.28Å; S319-Y321 PolarHBondContact O-N 2.81Å; Y321-K324 WeakPolarHBondContact O-CB 3.46Å; Y321-K324 PolarHBondContact O-N 3.46Å; Y321-Y325 WeakPolarHBondContact O-CD2 3.42Å; Y321-Y325 PolarHBondContact O-N 3.48Å
322	I	96.8	Very high	92.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-45.7	178.9	-69.1	164.2	0	0	0	110.6	V239 F283 A284 I287 S318 S319 K324 Y325 L326 L379	V239-I322 HydrophobicContact CB-CD1 3.68Å; V239-I322 HydrophobicContact CG1-CD1 3.69Å; V239-I322 HydrophobicContact CG2-CD1 4.11Å; F283-I322 HydrophobicContact CD1-CD1 3.76Å; F283-I322 HydrophobicContact CD1-CG1 4.48Å; F283-I322 HydrophobicContact CE1-CD1 4.41Å; A284-I322 HydrophobicContact CB-CG2 4.41Å; I287-I322 HydrophobicContact CD1-CG2 4.27Å; S318-I322 WeakPolarHBondContact O-CG1 3.23Å; S318-I322 PolarHBondContact O-N 2.88Å; S318-I322 VanDerWaalsContact O-N 3.08Å; S319-I322 PolarHBondContact O-N 3.4Å; I322-K324 VanDerWaalsContact C-N 3.25Å; I322-K324 PolarHBondContact O-N 3.24Å; I322-Y325 PolarHBondContact O-N 2.69Å; I322-L326 HydrophobicContact CG2-CD1 4.09Å; I322-L326 HydrophobicContact CG2-CG 4.46Å; I322-L326 WeakPolarHBondContact O-CG 3.18Å; I322-L326 PolarHBondContact O-N 3.07Å; I322-L379 HydrophobicContact CB-CD1 4.14Å; I322-L379 HydrophobicContact CD1-CD1 4.38Å; I322-L379 HydrophobicContact CD1-CD2 3.57Å; I322-L379 HydrophobicContact CG2-CD1 4.02Å; I322-L379 HydrophobicContact CG2-CD2 4.38Å
323	C	95.3	Very high	93.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.7	-42.8	173.7	-71.7	0	0	0	0	111.1	S319 L326 L327 L333	S319-C323 VanDerWaalsContact O-CB 3.24Å; S319-C323 WeakPolarHBondContact O-CB 3.42Å; S319-C323 PolarHBondContact O-N 3.25Å; S319-C323 PolarHBondContact O-SG 2.88Å; C323-L326 PolarHBondContact O-N 3.34Å; C323-L327 WeakPolarHBondContact O-CB 3.35Å; C323-L327 VanDerWaalsContact O-CG 3.25Å; C323-L327 WeakPolarHBondContact O-CG 3.27Å; C323-L327 PolarHBondContact O-N 2.92Å; C323-L333 HydrophobicContact CB-CD1 3.54Å
324	K	91.6	Very high	93.9	Very high	82 Å²	82	30.8 Å²	30.8	36%	0.357	14%	0.143	S	C	.	.	H	α-helix	trans	-59.3	-50.2	176	174.2	163.8	175.7	45	0	112.2	I320 Y321 I322 L326 L327 D328 M353	I320-K324 WeakPolarHBondContact O-CB 3.24Å; I320-K324 PolarHBondContact O-N 3.45Å; Y321-K324 WeakPolarHBondContact O-CB 3.46Å; Y321-K324 PolarHBondContact O-N 3.46Å; I322-K324 VanDerWaalsContact C-N 3.25Å; I322-K324 PolarHBondContact O-N 3.24Å; K324-L326 VanDerWaalsContact C-N 3.29Å; K324-L326 PolarHBondContact O-N 3.04Å; K324-L327 PolarHBondContact O-N 3.3Å; K324-D328 WeakPolarHBondContact CG-OD2 3.02Å; K324-D328 VanDerWaalsContact NZ-CG 3.27Å; K324-D328 IonicContact NZ-OD1 2.62Å; K324-D328 PolarHBondContact NZ-OD1 3.38Å; K324-D328 IonicContact NZ-OD2 2.79Å; K324-D328 PolarHBondContact NZ-OD2 2.77Å; K324-D328 WeakPolarHBondContact O-CB 2.96Å; K324-D328 PolarHBondContact O-N 3.21Å; K324-M353 HydrophobicContact CB-SD 4.3Å; K324-M353 HydrophobicContact CD-SD 4.19Å; K324-M353 HydrophobicContact CG-CE 4.1Å; K324-M353 HydrophobicContact CG-SD 3.99Å
325	Y	94	Very high	94.2	Very high	61 Å²	61	30.5 Å²	30.5	24%	0.239	14%	0.142	C	C	.	.	H	α-helix	trans	-60	-39.7	178.7	-66	-52.2	0	0	0	112.4	R280 R281 A284 Y321 I322 E329	R280-Y325 HydrophobicContact CB-CE2 4.39Å; R281-Y325 HydrophobicContact CB-CE2 4.33Å; R281-Y325 HydrophobicContact CG-CD2 4.33Å; R281-Y325 HydrophobicContact CG-CE1 3.81Å; R281-Y325 HydrophobicContact CG-CE2 3.52Å; R281-Y325 WeakPolarHBondContact CG-OH 3.44Å; A284-Y325 HydrophobicContact CB-CD2 3.92Å; A284-Y325 HydrophobicContact CB-CG 4.14Å; Y321-Y325 WeakPolarHBondContact O-CD2 3.42Å; Y321-Y325 PolarHBondContact O-N 3.48Å; I322-Y325 PolarHBondContact O-N 2.69Å; Y325-E329 VanDerWaalsContact O-CG 3.3Å; Y325-E329 WeakPolarHBondContact O-CG 3.27Å; Y325-E329 PolarHBondContact O-N 3.03Å
326	L	96	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68.9	-41	177.8	-66.3	175.7	0	0	0	112.3	I287 I288 V300 I302 I322 C323 K324 E329 G330 A331 L333	I287-L326 HydrophobicContact CB-CD2 4.17Å; I287-L326 HydrophobicContact CD1-CD1 4.24Å; I287-L326 HydrophobicContact CD1-CD2 4.42Å; I287-L326 HydrophobicContact CG2-CD2 3.88Å; I288-L326 HydrophobicContact CG1-CD2 4.1Å; V300-L326 HydrophobicContact CG1-CD1 4.3Å; I302-L326 HydrophobicContact CD1-CD1 4.26Å; I322-L326 HydrophobicContact CG2-CD1 4.09Å; I322-L326 HydrophobicContact CG2-CG 4.46Å; I322-L326 WeakPolarHBondContact O-CG 3.18Å; I322-L326 PolarHBondContact O-N 3.07Å; C323-L326 PolarHBondContact O-N 3.34Å; K324-L326 VanDerWaalsContact C-N 3.29Å; K324-L326 PolarHBondContact O-N 3.04Å; L326-E329 CarbonylContact O-C 3.6Å; L326-E329 PolarHBondContact O-N 3.16Å; L326-G330 PolarHBondContact O-N 2.93Å; L326-A331 HydrophobicContact CB-CB 3.96Å; L326-A331 WeakPolarHBondContact O-CB 3.3Å; L326-A331 PolarHBondContact O-N 3.43Å; L326-L333 HydrophobicContact CB-CD2 4.23Å; L326-L333 HydrophobicContact CD1-CD2 4.28Å
327	L	93	Very high	95	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.1	-45.2	176.8	-74.9	177.6	0	0	0	111.8	C323 K324 E329 G330 A331 L333 L350 M353 Y358 V360	C323-L327 WeakPolarHBondContact O-CB 3.35Å; C323-L327 VanDerWaalsContact O-CG 3.25Å; C323-L327 WeakPolarHBondContact O-CG 3.27Å; C323-L327 PolarHBondContact O-N 2.92Å; K324-L327 PolarHBondContact O-N 3.3Å; L327-E329 PolarHBondContact O-N 3.31Å; L327-E329 VanDerWaalsContact O-N 3.1Å; L327-G330 WeakPolarHBondContact O-CA 3.38Å; L327-G330 PolarHBondContact O-N 3.26Å; L327-A331 VanDerWaalsContact CD2-O 3.3Å; L327-A331 WeakPolarHBondContact CD2-O 3.46Å; L327-L333 HydrophobicContact CD1-CD1 4.01Å; L327-L333 HydrophobicContact CD2-CD1 3.88Å; L327-L333 HydrophobicContact CD2-CG 3.74Å; L327-L333 HydrophobicContact CG-CD1 3.66Å; L327-L333 HydrophobicContact CG-CG 4.08Å; L327-L350 HydrophobicContact CD1-CD2 3.2Å; L327-M353 HydrophobicContact CB-CE 3.55Å; L327-M353 HydrophobicContact CD1-CE 3.88Å; L327-M353 HydrophobicContact CG-CE 4.38Å; L327-Y358 HydrophobicContact CB-CD1 3.8Å; L327-Y358 HydrophobicContact CB-CE1 4Å; L327-Y358 HydrophobicContact CB-CG 4.13Å; L327-Y358 HydrophobicContact CD1-CG 4.33Å; L327-Y358 HydrophobicContact CD2-CD1 4.02Å; L327-Y358 HydrophobicContact CD2-CG 4.08Å; L327-Y358 HydrophobicContact CG-CD1 4.39Å; L327-Y358 HydrophobicContact CG-CG 4.41Å; L327-Y358 WeakPolarHBondContact O-CD1 3.49Å; L327-Y358 WeakPolarHBondContact O-CE1 3.39Å; L327-V360 HydrophobicContact CD1-CG2 3.87Å; L327-V360 HydrophobicContact CD2-CG2 3.99Å
328	D	91.3	Very high	95	Very high	72 Å²	72	26.3 Å²	26.3	39%	0.385	13%	0.129	S	C	.	.	H	α-helix	trans	-58.3	-24.7	177.3	-67.7	-18.1	0	0	0	111.6	K324 M353 Y358	K324-D328 WeakPolarHBondContact CG-OD2 3.02Å; K324-D328 VanDerWaalsContact NZ-CG 3.27Å; K324-D328 IonicContact NZ-OD1 2.62Å; K324-D328 PolarHBondContact NZ-OD1 3.38Å; K324-D328 IonicContact NZ-OD2 2.79Å; K324-D328 PolarHBondContact NZ-OD2 2.77Å; K324-D328 WeakPolarHBondContact O-CB 2.96Å; K324-D328 PolarHBondContact O-N 3.21Å; D328-M353 VanDerWaalsContact OD1-CE 3.24Å; D328-M353 WeakPolarHBondContact OD1-CE 3.21Å; D328-Y358 PolarHBondContact OD1-OH 2.92Å
329	E	93.6	Very high	94.7	Very high	105 Å²	105	32.6 Å²	32.6	49%	0.491	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	11.6	175.4	-65.2	-73.1	159.8	0	0	113.7	I288 V295 H296 Y325 L326 L327	I288-E329 HydrophobicContact CD1-CB 4.27Å; I288-E329 HydrophobicContact CD1-CG 3.72Å; V295-E329 HydrophobicContact CG2-CB 3.54Å; H296-E329 PolarHBondContact N-O 3.21Å; Y325-E329 VanDerWaalsContact O-CG 3.3Å; Y325-E329 WeakPolarHBondContact O-CG 3.27Å; Y325-E329 PolarHBondContact O-N 3.03Å; L326-E329 CarbonylContact O-C 3.6Å; L326-E329 PolarHBondContact O-N 3.16Å; L327-E329 PolarHBondContact O-N 3.31Å; L327-E329 VanDerWaalsContact O-N 3.1Å
330	G	93.1	Very high	94.4	Very high	22 Å²	22	32.9 Å²	32.9	23%	0.227	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	12.7	173.4	0	0	0	0	0	115.7	H296 D297 L326 L327	H296-G330 WeakPolarHBondContact CA-O 3.07Å; D297-G330 PolarHBondContact N-O 3.48Å; L326-G330 PolarHBondContact O-N 2.93Å; L327-G330 WeakPolarHBondContact O-CA 3.38Å; L327-G330 PolarHBondContact O-N 3.26Å
331	A	96.2	Very high	94	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.017	18%	0.178	C	C	.	.			trans	-66.5	157.9	175.3	0	0	0	0	0	112.4	V295 V300 L326 L327 L333	V295-A331 HydrophobicContact CB-CB 3.98Å; V295-A331 HydrophobicContact CG2-CB 3.82Å; V295-A331 VanDerWaalsContact O-CA 3.3Å; V295-A331 WeakPolarHBondContact O-CA 3.48Å; V300-A331 HydrophobicContact CG2-CB 4.41Å; L326-A331 HydrophobicContact CB-CB 3.96Å; L326-A331 WeakPolarHBondContact O-CB 3.3Å; L326-A331 PolarHBondContact O-N 3.43Å; L327-A331 VanDerWaalsContact CD2-O 3.3Å; L327-A331 WeakPolarHBondContact CD2-O 3.46Å; A331-L333 HydrophobicContact CB-CD2 4.22Å
332	K	95.6	Very high	93.8	Very high	49 Å²	49	38.8 Å²	38.8	21%	0.213	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.8	167.9	-54.6	-174	173	151.4	0	108.4	D297 K298 W299 V300 S359	D297-K332 WeakPolarHBondContact OD1-CE 3.12Å; D297-K332 IonicContact OD1-NZ 3.51Å; D297-K332 PolarHBondContact OD1-NZ 3.16Å; K298-K332 PolarHBondContact O-N 3.42Å; W299-K332 CarbonylContact C-O 3.43Å; W299-K332 VanDerWaalsContact CA-O 3.29Å; W299-K332 WeakPolarHBondContact CA-O 3.26Å; W299-K332 HydrophobicContact CD2-CB 3.46Å; W299-K332 VanDerWaalsContact CD2-CB 3.46Å; W299-K332 HydrophobicContact CD2-CD 4.29Å; W299-K332 HydrophobicContact CD2-CG 4.48Å; W299-K332 HydrophobicContact CE3-CB 3.44Å; W299-K332 VanDerWaalsContact CE3-CB 3.44Å; W299-K332 HydrophobicContact CG-CB 4.09Å; W299-K332 HydrophobicContact CH2-CB 3.97Å; W299-K332 HydrophobicContact CZ2-CB 3.97Å; W299-K332 HydrophobicContact CZ2-CD 3.84Å; W299-K332 HydrophobicContact CZ3-CB 3.7Å; V300-K332 PolarHBondContact N-O 3.14Å; K332-S359 CarbonylContact C-O 3.56Å; K332-S359 WeakPolarHBondContact CA-O 3.45Å
333	L	96.9	Very high	93.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.6	-170.5	-57.1	-174.3	0	0	0	112.3	V300 I302 C323 L326 L327 A331 V335 S359 V360 E361	V300-L333 HydrophobicContact CB-CD2 3.96Å; V300-L333 WeakPolarHBondContact O-CA 3.32Å; I302-L333 HydrophobicContact CD1-CD2 4.26Å; I302-L333 HydrophobicContact CG1-CB 4.44Å; I302-L333 HydrophobicContact CG1-CD2 4.23Å; C323-L333 HydrophobicContact CB-CD1 3.54Å; L326-L333 HydrophobicContact CB-CD2 4.23Å; L326-L333 HydrophobicContact CD1-CD2 4.28Å; L327-L333 HydrophobicContact CD1-CD1 4.01Å; L327-L333 HydrophobicContact CD2-CD1 3.88Å; L327-L333 HydrophobicContact CD2-CG 3.74Å; L327-L333 HydrophobicContact CG-CD1 3.66Å; L327-L333 HydrophobicContact CG-CG 4.08Å; A331-L333 HydrophobicContact CB-CD2 4.22Å; L333-V335 HydrophobicContact CB-CG2 4.27Å; L333-S359 PolarHBondContact N-O 2.72Å; L333-V360 HydrophobicContact CB-CG1 4.42Å; L333-V360 HydrophobicContact CB-CG2 4.35Å; L333-V360 CarbonylContact O-C 3.47Å; L333-V360 WeakPolarHBondContact O-CA 3.01Å; L333-E361 PolarHBondContact O-N 2.89Å
334	N	97.8	Very high	92.5	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.032	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	105.2	167.2	-76.8	-24.6	0	0	0	108.9	W299 V300 A301 I302 E361 H363 A369	W299-N334 VanDerWaalsContact CE3-OD1 3.25Å; W299-N334 WeakPolarHBondContact CZ3-OD1 3.2Å; V300-N334 PolarHBondContact O-N 3.4Å; A301-N334 CarbonylContact C-O 3.56Å; A301-N334 WeakPolarHBondContact CA-O 3.3Å; I302-N334 PolarHBondContact N-O 3.14Å; N334-E361 CarbonylContact C-O 3.46Å; N334-E361 WeakPolarHBondContact CA-O 3.35Å; N334-H363 VanDerWaalsContact CG-NE2 3.29Å; N334-H363 PolarHBondContact OD1-NE2 3.28Å; N334-A369 HydrophobicContact CB-CB 4.23Å; N334-A369 WeakPolarHBondContact CB-O 3.43Å; N334-A369 PolarHBondContact ND2-O 3.03Å
335	V	97.1	Very high	92.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.3	-174	-172.1	0	0	0	0	110.7	I302 F305 L333 I345 V360 E361 V362 H363	I302-V335 HydrophobicContact CB-CG1 4.43Å; I302-V335 HydrophobicContact CB-CG2 4.21Å; I302-V335 HydrophobicContact CG1-CG2 4.37Å; F305-V335 HydrophobicContact CB-CG1 4.18Å; F305-V335 HydrophobicContact CD2-CG1 3.79Å; F305-V335 HydrophobicContact CG-CG1 4.23Å; L333-V335 HydrophobicContact CB-CG2 4.27Å; V335-I345 HydrophobicContact CB-CG2 4.32Å; V335-I345 HydrophobicContact CG1-CD1 3.96Å; V335-I345 HydrophobicContact CG1-CG2 4.1Å; V335-I345 HydrophobicContact CG2-CG2 4.46Å; V335-V360 HydrophobicContact CG2-CG1 4.05Å; V335-E361 PolarHBondContact N-O 2.79Å; V335-V362 WeakPolarHBondContact O-CA 3.43Å; V335-H363 PolarHBondContact O-N 2.85Å
336	Y	98.1	Very high	91.5	Very high	20 Å²	20	39.2 Å²	39.2	8%	0.078	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.7	167.5	173.4	-118.1	0	0	0	110.3	I302 G304 P338 H363 A364 N365 A366 E384 F385	I302-Y336 PolarHBondContact O-N 2.93Å; G304-Y336 PolarHBondContact N-O 3.39Å; Y336-P338 HydrophobicContact CE1-CG 4.1Å; Y336-H363 WeakPolarHBondContact CD2-O 3.27Å; Y336-A364 WeakPolarHBondContact CE2-O 3.35Å; Y336-N365 VanDerWaalsContact CE2-CA 3.43Å; Y336-A366 VanDerWaalsContact CD1-CA 3.48Å; Y336-A366 HydrophobicContact CD1-CB 3.7Å; Y336-A366 HydrophobicContact CE1-CB 3.72Å; Y336-E384 VanDerWaalsContact CE1-OE1 3.27Å; Y336-E384 WeakPolarHBondContact CE1-OE1 3.48Å; Y336-E384 PolarHBondContact OH-OE1 3.11Å; Y336-F385 AromaticContact CD1-CE1 3.87Å; Y336-F385 HydrophobicContact CD1-CE1 3.87Å; Y336-F385 HydrophobicContact CD1-CZ 4.42Å; Y336-F385 AromaticContact CE1-CE1 3.77Å; Y336-F385 HydrophobicContact CE1-CE1 3.77Å
337	D	96.2	Very high	90.2	Very high	11 Å²	11	49.2 Å²	49.2	6%	0.059	25%	0.254	C	S	.	.			trans	-135.5	128.1	166.9	-173.3	-69.5	0	0	0	108.8	G304 F305 S306 K339 V340 W382	G304-D337 WeakPolarHBondContact CA-OD2 3.3Å; F305-D337 HydrophobicContact CB-CB 3.92Å; F305-D337 PolarHBondContact N-OD2 3.3Å; S306-D337 PolarHBondContact N-OD2 3.25Å; S306-D337 VanDerWaalsContact N-OD2 3.13Å; S306-D337 PolarHBondContact OG-OD2 2.71Å; D337-K339 PolarHBondContact O-N 3.05Å; D337-K339 PolarHBondContact OD1-N 2.85Å; D337-V340 HydrophobicContact CB-CB 3.94Å; D337-V340 HydrophobicContact CB-CG2 4.07Å; D337-V340 VanDerWaalsContact CG-CG2 3.49Å; D337-V340 WeakPolarHBondContact OD1-CG2 3.41Å; D337-V340 PolarHBondContact OD1-N 2.9Å; D337-W382 PolarHBondContact OD2-NE1 2.91Å
338	P	93.1	Very high	88.5	Confident	40 Å²	40	52.4 Å²	52.4	26%	0.26	27%	0.268	S	S	.	.	S	Bend	trans	-62.3	-22.7	-176.6	-24.4	33.5	0	0	0	115.2	Y336 W382 F385	Y336-P338 HydrophobicContact CE1-CG 4.1Å; P338-W382 HydrophobicContact CG-CD2 4.3Å; P338-W382 HydrophobicContact CG-CG 4.26Å; P338-F385 HydrophobicContact CG-CE1 4.28Å
339	K	89.2	Confident	86.7	Confident	133 Å²	133	53.8 Å²	53.8	58%	0.578	28%	0.276	S	S	*	.	S	Bend	trans	-123.7	-11	-171.9	-63.3	-59.3	-179.4	-174.6	0	114.6	D337 P341 W382	D337-K339 PolarHBondContact O-N 3.05Å; D337-K339 PolarHBondContact OD1-N 2.85Å; K339-P341 WeakPolarHBondContact O-CD 3.47Å; K339-W382 HydrophobicContact CB-CH2 3.68Å; K339-W382 HydrophobicContact CB-CZ2 3.91Å; K339-W382 HydrophobicContact CG-CH2 3.31Å; K339-W382 HydrophobicContact CG-CZ2 3.98Å; K339-W382 HydrophobicContact CG-CZ3 3.83Å
340	V	89.8	Confident	84.9	Confident	7 Å²	7	49 Å²	49	4%	0.042	25%	0.254	C	S	.	.	S	Bend	trans	-91.8	116.4	175.5	-173.5	0	0	0	0	110.4	F305 T314 D337 A344 I345	F305-V340 HydrophobicContact CB-CG2 4.4Å; F305-V340 HydrophobicContact CD1-CG1 4.24Å; T314-V340 HydrophobicContact CG2-CB 4.3Å; T314-V340 HydrophobicContact CG2-CG1 3.58Å; T314-V340 HydrophobicContact CG2-CG2 3.63Å; D337-V340 HydrophobicContact CB-CB 3.94Å; D337-V340 HydrophobicContact CB-CG2 4.07Å; D337-V340 VanDerWaalsContact CG-CG2 3.49Å; D337-V340 WeakPolarHBondContact OD1-CG2 3.41Å; D337-V340 PolarHBondContact OD1-N 2.9Å; V340-A344 HydrophobicContact CG1-CB 3.85Å; V340-I345 HydrophobicContact CB-CD1 4.34Å; V340-I345 HydrophobicContact CB-CG1 4.18Å; V340-I345 HydrophobicContact CG1-CD1 4.22Å; V340-I345 HydrophobicContact CG1-CG1 3.54Å
341	P	86.1	Confident	82.9	Confident	83 Å²	83	50.1 Å²	50.1	54%	0.539	26%	0.258	S	S	.	.			trans	-62.8	148	178.3	-22.2	33.7	0	0	0	112.5	K339 A343 A344 I345	K339-P341 WeakPolarHBondContact O-CD 3.47Å; P341-A343 PolarHBondContact O-N 3.19Å; P341-A343 VanDerWaalsContact O-N 3.15Å; P341-A344 WeakPolarHBondContact O-CA 3.49Å; P341-A344 WeakPolarHBondContact O-CB 3.44Å; P341-A344 PolarHBondContact O-N 2.83Å; P341-I345 PolarHBondContact O-N 2.87Å; P341-I345 VanDerWaalsContact O-N 3.12Å
342	K	88.6	Confident	80.7	Confident	122 Å²	122	59.1 Å²	59.1	53%	0.53	29%	0.291	S	S	.	.	H	α-helix	trans	-48.5	-43.9	174.7	175.2	168.8	-175.9	173.4	0	113.1	A344 I345 L346 V362	K342-A344 VanDerWaalsContact C-N 3.27Å; K342-A344 PolarHBondContact O-N 3.32Å; K342-I345 PolarHBondContact O-N 2.95Å; K342-L346 HydrophobicContact CD-CD1 4.39Å; K342-L346 HydrophobicContact CG-CD1 3.73Å; K342-L346 HydrophobicContact CG-CG 4.24Å; K342-L346 VanDerWaalsContact O-CG 3.3Å; K342-L346 WeakPolarHBondContact O-CG 3.33Å; K342-L346 PolarHBondContact O-N 3.2Å; K342-V362 HydrophobicContact CB-CB 4.12Å; K342-V362 HydrophobicContact CB-CG1 3.9Å; K342-V362 HydrophobicContact CB-CG2 4.48Å; K342-V362 HydrophobicContact CD-CB 4.03Å; K342-V362 HydrophobicContact CG-CB 3.77Å; K342-V362 HydrophobicContact CG-CG1 4.14Å; K342-V362 HydrophobicContact CG-CG2 3.96Å
343	A	84.5	Confident	78.7	Confident	75 Å²	75	57.3 Å²	57.3	62%	0.62	28%	0.284	S	S	*	.	H	α-helix	trans	-60.8	-35.8	178.1	0	0	0	0	0	112.7	P341 R347	P341-A343 PolarHBondContact O-N 3.19Å; P341-A343 VanDerWaalsContact O-N 3.15Å; A343-R347 WeakPolarHBondContact O-CB 3.41Å; A343-R347 PolarHBondContact O-N 3.33Å
344	A	81.9	Confident	76.6	Confident	26 Å²	26	60 Å²	60	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-70	-47.8	176.2	0	0	0	0	0	110.9	V340 P341 K342 L346 R347 F348	V340-A344 HydrophobicContact CG1-CB 3.85Å; P341-A344 WeakPolarHBondContact O-CA 3.49Å; P341-A344 WeakPolarHBondContact O-CB 3.44Å; P341-A344 PolarHBondContact O-N 2.83Å; K342-A344 VanDerWaalsContact C-N 3.27Å; K342-A344 PolarHBondContact O-N 3.32Å; A344-L346 VanDerWaalsContact C-N 3.27Å; A344-L346 PolarHBondContact O-N 3.39Å; A344-R347 PolarHBondContact O-N 3.4Å; A344-R347 VanDerWaalsContact O-N 3.11Å; A344-F348 WeakPolarHBondContact O-CD2 3.5Å; A344-F348 PolarHBondContact O-N 3.22Å
345	I	83.6	Confident	74.6	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-55.4	-44.9	177.5	-62	169.9	0	0	0	110.8	F305 V335 V340 P341 K342 L350 V362	F305-I345 HydrophobicContact CB-CG1 4.38Å; F305-I345 HydrophobicContact CD1-CB 4.36Å; F305-I345 HydrophobicContact CD1-CG1 3.77Å; F305-I345 HydrophobicContact CD1-CG2 4.39Å; F305-I345 HydrophobicContact CD2-CG2 4.36Å; F305-I345 HydrophobicContact CE1-CB 4.34Å; F305-I345 HydrophobicContact CE1-CG1 4.24Å; F305-I345 HydrophobicContact CE1-CG2 4.23Å; F305-I345 HydrophobicContact CE2-CG2 4.19Å; F305-I345 HydrophobicContact CG-CG1 4.04Å; F305-I345 HydrophobicContact CG-CG2 4.46Å; F305-I345 HydrophobicContact CZ-CG2 4.14Å; V335-I345 HydrophobicContact CB-CG2 4.32Å; V335-I345 HydrophobicContact CG1-CD1 3.96Å; V335-I345 HydrophobicContact CG1-CG2 4.1Å; V335-I345 HydrophobicContact CG2-CG2 4.46Å; V340-I345 HydrophobicContact CB-CD1 4.34Å; V340-I345 HydrophobicContact CB-CG1 4.18Å; V340-I345 HydrophobicContact CG1-CD1 4.22Å; V340-I345 HydrophobicContact CG1-CG1 3.54Å; P341-I345 PolarHBondContact O-N 2.87Å; P341-I345 VanDerWaalsContact O-N 3.12Å; K342-I345 PolarHBondContact O-N 2.95Å; I345-L350 HydrophobicContact CG2-CD1 4.37Å; I345-L350 WeakPolarHBondContact O-CD1 3.5Å; I345-V362 HydrophobicContact CB-CG2 4Å; I345-V362 HydrophobicContact CD1-CG1 3.67Å; I345-V362 HydrophobicContact CD1-CG2 4.19Å; I345-V362 HydrophobicContact CG2-CG2 3.75Å
346	L	79.5	Confident	72.8	Confident	50 Å²	50	72.3 Å²	72.3	26%	0.262	36%	0.36	S	S	.	.	H	α-helix	trans	-74.6	-28.4	-180	-61.8	176.4	0	0	0	113.3	K342 A344 S351 I354 V362	K342-L346 HydrophobicContact CD-CD1 4.39Å; K342-L346 HydrophobicContact CG-CD1 3.73Å; K342-L346 HydrophobicContact CG-CG 4.24Å; K342-L346 VanDerWaalsContact O-CG 3.3Å; K342-L346 WeakPolarHBondContact O-CG 3.33Å; K342-L346 PolarHBondContact O-N 3.2Å; A344-L346 VanDerWaalsContact C-N 3.27Å; A344-L346 PolarHBondContact O-N 3.39Å; L346-S351 WeakPolarHBondContact O-CA 3.21Å; L346-S351 WeakPolarHBondContact O-CB 3.28Å; L346-S351 PolarHBondContact O-N 3.33Å; L346-S351 PolarHBondContact O-OG 2.86Å; L346-S351 VanDerWaalsContact O-OG 3.09Å; L346-I354 HydrophobicContact CD2-CD1 3.65Å; L346-V362 HydrophobicContact CD2-CG2 4.17Å; L346-V362 HydrophobicContact CG-CG2 4.3Å
347	R	69	Low	71.2	Confident	210 Å²	210	78.7 Å²	78.7	79%	0.792	40%	0.395	S	S	*	.	H	α-helix	trans	-78.6	-27.8	-175.9	179.9	178.3	179.5	-177.8	2.5	114.4	A343 A344 S351	A343-R347 WeakPolarHBondContact O-CB 3.41Å; A343-R347 PolarHBondContact O-N 3.33Å; A344-R347 PolarHBondContact O-N 3.4Å; A344-R347 VanDerWaalsContact O-N 3.11Å; R347-S351 PolarHBondContact O-OG 3.22Å
348	F	58.5	Low	70.2	Confident	68 Å²	68	80.7 Å²	80.7	30%	0.298	40%	0.402	S	S	.	.	S	Bend	trans	-61.9	170.9	172.6	-85.8	-86.1	0	0	0	110.8	T314 I320 A344 L350 S351	T314-F348 WeakPolarHBondContact OG1-CE2 3.34Å; T314-F348 VanDerWaalsContact OG1-CZ 3.28Å; T314-F348 WeakPolarHBondContact OG1-CZ 3.22Å; I320-F348 HydrophobicContact CD1-CB 4.29Å; I320-F348 HydrophobicContact CD1-CD1 3.74Å; I320-F348 HydrophobicContact CD1-CE1 4.27Å; I320-F348 HydrophobicContact CD1-CG 3.95Å; A344-F348 WeakPolarHBondContact O-CD2 3.5Å; A344-F348 PolarHBondContact O-N 3.22Å; F348-L350 CarbonylContact O-C 3.52Å; F348-L350 VanDerWaalsContact O-CA 3.31Å; F348-L350 WeakPolarHBondContact O-CA 3.48Å; F348-L350 PolarHBondContact O-N 3.41Å; F348-S351 PolarHBondContact O-N 2.76Å; F348-S351 PolarHBondContact O-OG 3.14Å
349	D	52.4	Low	69.8	Low	101 Å²	101	81 Å²	81	54%	0.54	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.5	-17.6	-172.6	-90.6	-45.8	0	0	0	115.6	S351 R352 M353	D349-S351 PolarHBondContact O-N 2.94Å; D349-R352 WeakPolarHBondContact O-CB 3.12Å; D349-R352 PolarHBondContact O-N 2.83Å; D349-R352 VanDerWaalsContact O-N 3.15Å; D349-M353 WeakPolarHBondContact O-CG 3.42Å; D349-M353 PolarHBondContact O-N 2.8Å; D349-M353 VanDerWaalsContact O-N 3.12Å
350	L	56	Low	69.9	Low	4 Å²	4	75.6 Å²	75.6	2%	0.021	38%	0.384	C	S	.	.	H	α-helix	trans	-44.7	-33.7	158.1	-70.3	170	0	0	0	114.7	F305 L327 I345 F348 M353 I354 V360	F305-L350 HydrophobicContact CE2-CD1 3.79Å; F305-L350 HydrophobicContact CZ-CD1 3.48Å; F305-L350 VanDerWaalsContact CZ-CD1 3.48Å; L327-L350 HydrophobicContact CD1-CD2 3.2Å; I345-L350 HydrophobicContact CG2-CD1 4.37Å; I345-L350 WeakPolarHBondContact O-CD1 3.5Å; F348-L350 CarbonylContact O-C 3.52Å; F348-L350 VanDerWaalsContact O-CA 3.31Å; F348-L350 WeakPolarHBondContact O-CA 3.48Å; F348-L350 PolarHBondContact O-N 3.41Å; L350-M353 CarbonylContact O-C 3.49Å; L350-M353 WeakPolarHBondContact O-CA 3.47Å; L350-M353 VanDerWaalsContact O-CB 3.28Å; L350-M353 WeakPolarHBondContact O-CB 3.22Å; L350-M353 PolarHBondContact O-N 3.47Å; L350-I354 WeakPolarHBondContact O-CG1 3.47Å; L350-I354 PolarHBondContact O-N 3.34Å; L350-V360 HydrophobicContact CD2-CG2 4.34Å
351	S	50.6	Low	70.1	Confident	45 Å²	45	80 Å²	80	32%	0.315	40%	0.404	S	S	.	.	H	α-helix	trans	-72.9	-37.8	177.3	30.3	0	0	0	0	112.8	L346 R347 F348 D349 M353 I354 N355	L346-S351 WeakPolarHBondContact O-CA 3.21Å; L346-S351 WeakPolarHBondContact O-CB 3.28Å; L346-S351 PolarHBondContact O-N 3.33Å; L346-S351 PolarHBondContact O-OG 2.86Å; L346-S351 VanDerWaalsContact O-OG 3.09Å; R347-S351 PolarHBondContact O-OG 3.22Å; F348-S351 PolarHBondContact O-N 2.76Å; F348-S351 PolarHBondContact O-OG 3.14Å; D349-S351 PolarHBondContact O-N 2.94Å; S351-M353 PolarHBondContact O-N 2.86Å; S351-I354 PolarHBondContact O-N 2.8Å; S351-N355 PolarHBondContact O-N 2.77Å
352	R	51.4	Low	70.5	Confident	191 Å²	191	77.3 Å²	77.3	72%	0.721	39%	0.386	S	S	*	.	H	α-helix	trans	-58.7	-32.7	168.5	-125.5	-180	88.4	-169.7	7.7	110.6	D349	D349-R352 WeakPolarHBondContact O-CB 3.12Å; D349-R352 PolarHBondContact O-N 2.83Å; D349-R352 VanDerWaalsContact O-N 3.15Å
353	M	52.2	Low	70.9	Confident	12 Å²	12	73.2 Å²	73.2	6%	0.059	37%	0.368	C	S	.	.	H	α-helix	trans	-79	-44.4	176.8	-69.5	-175.8	74.2	0	0	112.1	K324 L327 D328 D349 L350 S351 N355 Q356 Y358	K324-M353 HydrophobicContact CB-SD 4.3Å; K324-M353 HydrophobicContact CD-SD 4.19Å; K324-M353 HydrophobicContact CG-CE 4.1Å; K324-M353 HydrophobicContact CG-SD 3.99Å; L327-M353 HydrophobicContact CB-CE 3.55Å; L327-M353 HydrophobicContact CD1-CE 3.88Å; L327-M353 HydrophobicContact CG-CE 4.38Å; D328-M353 VanDerWaalsContact OD1-CE 3.24Å; D328-M353 WeakPolarHBondContact OD1-CE 3.21Å; D349-M353 WeakPolarHBondContact O-CG 3.42Å; D349-M353 PolarHBondContact O-N 2.8Å; D349-M353 VanDerWaalsContact O-N 3.12Å; L350-M353 CarbonylContact O-C 3.49Å; L350-M353 WeakPolarHBondContact O-CA 3.47Å; L350-M353 VanDerWaalsContact O-CB 3.28Å; L350-M353 WeakPolarHBondContact O-CB 3.22Å; L350-M353 PolarHBondContact O-N 3.47Å; S351-M353 PolarHBondContact O-N 2.86Å; M353-N355 PolarHBondContact O-N 2.99Å; M353-N355 VanDerWaalsContact O-N 3.15Å; M353-Q356 CarbonylContact O-C 3.52Å; M353-Q356 VanDerWaalsContact O-CA 3.23Å; M353-Q356 WeakPolarHBondContact O-CA 3.27Å; M353-Q356 WeakPolarHBondContact O-CB 3.05Å; M353-Q356 PolarHBondContact O-N 2.78Å; M353-Y358 HydrophobicContact CB-CD2 3.39Å; M353-Y358 HydrophobicContact CB-CE2 3.53Å; M353-Y358 HydrophobicContact CE-CD2 3.92Å; M353-Y358 HydrophobicContact CE-CE1 4.47Å; M353-Y358 HydrophobicContact CE-CE2 3.46Å; M353-Y358 VanDerWaalsContact CE-CE2 3.46Å; M353-Y358 HydrophobicContact CG-CD2 4.25Å; M353-Y358 HydrophobicContact CG-CE2 3.92Å; M353-Y358 WeakPolarHBondContact O-CD2 3.33Å
354	I	53.5	Low	71.4	Confident	57 Å²	57	74.1 Å²	74.1	29%	0.292	38%	0.375	S	S	.	.	H	α-helix	trans	-59.3	-34.4	-178.5	-72.8	158.2	0	0	0	110.3	L346 L350 S351 Q356 N357	L346-I354 HydrophobicContact CD2-CD1 3.65Å; L350-I354 WeakPolarHBondContact O-CG1 3.47Å; L350-I354 PolarHBondContact O-N 3.34Å; S351-I354 PolarHBondContact O-N 2.8Å; I354-Q356 PolarHBondContact O-N 2.9Å; I354-Q356 VanDerWaalsContact O-N 3.13Å; I354-N357 PolarHBondContact O-N 3.32Å; I354-N357 VanDerWaalsContact O-N 3.09Å
355	N	56.2	Low	72.2	Confident	143 Å²	143	75.9 Å²	75.9	77%	0.765	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.5	171.3	-70.5	-15.2	0	0	0	114	S351 M353	S351-N355 PolarHBondContact O-N 2.77Å; M353-N355 PolarHBondContact O-N 2.99Å; M353-N355 VanDerWaalsContact O-N 3.15Å
356	Q	58.3	Low	72.9	Confident	121 Å²	121	76 Å²	76	57%	0.565	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	24	173.4	-55.9	-176.8	-32.4	0	0	113.1	M353 I354 Y358	M353-Q356 CarbonylContact O-C 3.52Å; M353-Q356 VanDerWaalsContact O-CA 3.23Å; M353-Q356 WeakPolarHBondContact O-CA 3.27Å; M353-Q356 WeakPolarHBondContact O-CB 3.05Å; M353-Q356 PolarHBondContact O-N 2.78Å; I354-Q356 PolarHBondContact O-N 2.9Å; I354-Q356 VanDerWaalsContact O-N 3.13Å; Q356-Y358 HydrophobicContact CB-CD2 4.36Å; Q356-Y358 HydrophobicContact CB-CE2 3.97Å; Q356-Y358 PolarHBondContact O-N 2.83Å
357	N	65	Low	73.8	Confident	154 Å²	154	75.9 Å²	75.9	82%	0.824	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	19.7	177.9	-60.6	-30.3	0	0	0	116.5	I354	I354-N357 PolarHBondContact O-N 3.32Å; I354-N357 VanDerWaalsContact O-N 3.09Å
358	Y	74.2	Confident	75.2	Confident	52 Å²	52	67.4 Å²	67.4	20%	0.204	35%	0.351	C	S	.	.			trans	-71.4	140.2	171	-62.8	-64.8	0	0	0	112	L327 D328 M353 Q356	L327-Y358 HydrophobicContact CB-CD1 3.8Å; L327-Y358 HydrophobicContact CB-CE1 4Å; L327-Y358 HydrophobicContact CB-CG 4.13Å; L327-Y358 HydrophobicContact CD1-CG 4.33Å; L327-Y358 HydrophobicContact CD2-CD1 4.02Å; L327-Y358 HydrophobicContact CD2-CG 4.08Å; L327-Y358 HydrophobicContact CG-CD1 4.39Å; L327-Y358 HydrophobicContact CG-CG 4.41Å; L327-Y358 WeakPolarHBondContact O-CD1 3.49Å; L327-Y358 WeakPolarHBondContact O-CE1 3.39Å; D328-Y358 PolarHBondContact OD1-OH 2.92Å; M353-Y358 HydrophobicContact CB-CD2 3.39Å; M353-Y358 HydrophobicContact CB-CE2 3.53Å; M353-Y358 HydrophobicContact CE-CD2 3.92Å; M353-Y358 HydrophobicContact CE-CE1 4.47Å; M353-Y358 HydrophobicContact CE-CE2 3.46Å; M353-Y358 VanDerWaalsContact CE-CE2 3.46Å; M353-Y358 HydrophobicContact CG-CD2 4.25Å; M353-Y358 HydrophobicContact CG-CE2 3.92Å; M353-Y358 WeakPolarHBondContact O-CD2 3.33Å; Q356-Y358 HydrophobicContact CB-CD2 4.36Å; Q356-Y358 HydrophobicContact CB-CE2 3.97Å; Q356-Y358 PolarHBondContact O-N 2.83Å
359	S	86.1	Confident	77.1	Confident	47 Å²	47	64.1 Å²	64.1	33%	0.329	34%	0.337	S	S	.	.			trans	-93.7	101.7	176.4	-55.6	0	0	0	0	110.1	K332 L333	K332-S359 CarbonylContact C-O 3.56Å; K332-S359 WeakPolarHBondContact CA-O 3.45Å; L333-S359 PolarHBondContact N-O 2.72Å
360	V	91.7	Very high	79.3	Confident	20 Å²	20	59.3 Å²	59.3	12%	0.121	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.1	174.2	-177.1	0	0	0	0	109.3	L327 L333 V335 L350	L327-V360 HydrophobicContact CD1-CG2 3.87Å; L327-V360 HydrophobicContact CD2-CG2 3.99Å; L333-V360 HydrophobicContact CB-CG1 4.42Å; L333-V360 HydrophobicContact CB-CG2 4.35Å; L333-V360 CarbonylContact O-C 3.47Å; L333-V360 WeakPolarHBondContact O-CA 3.01Å; V335-V360 HydrophobicContact CG2-CG1 4.05Å; L350-V360 HydrophobicContact CD2-CG2 4.34Å
361	E	93.5	Very high	81.3	Confident	99 Å²	99	65.2 Å²	65.2	46%	0.463	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138	175.8	-66.5	-175.4	-170.1	0	0	110.3	W299 L333 N334 V335 H363	W299-E361 HydrophobicContact CH2-CG 3.89Å; W299-E361 HydrophobicContact CZ3-CB 4.45Å; W299-E361 HydrophobicContact CZ3-CG 4.23Å; L333-E361 PolarHBondContact O-N 2.89Å; N334-E361 CarbonylContact C-O 3.46Å; N334-E361 WeakPolarHBondContact CA-O 3.35Å; V335-E361 PolarHBondContact N-O 2.79Å; E361-H363 IonicContact OE2-NE2 3.74Å
362	V	94.3	Very high	83.6	Confident	27 Å²	27	64.5 Å²	64.5	16%	0.164	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.2	176.2	-176.5	0	0	0	0	108.9	V335 K342 I345 L346	V335-V362 WeakPolarHBondContact O-CA 3.43Å; K342-V362 HydrophobicContact CB-CB 4.12Å; K342-V362 HydrophobicContact CB-CG1 3.9Å; K342-V362 HydrophobicContact CB-CG2 4.48Å; K342-V362 HydrophobicContact CD-CB 4.03Å; K342-V362 HydrophobicContact CG-CB 3.77Å; K342-V362 HydrophobicContact CG-CG1 4.14Å; K342-V362 HydrophobicContact CG-CG2 3.96Å; I345-V362 HydrophobicContact CB-CG2 4Å; I345-V362 HydrophobicContact CD1-CG1 3.67Å; I345-V362 HydrophobicContact CD1-CG2 4.19Å; I345-V362 HydrophobicContact CG2-CG2 3.75Å; L346-V362 HydrophobicContact CD2-CG2 4.17Å; L346-V362 HydrophobicContact CG-CG2 4.3Å
363	H	96.9	Very high	85.8	Confident	36 Å²	36	55.4 Å²	55.4	17%	0.167	30%	0.304	C	S	.	.			trans	-105.2	152.8	-171.9	-75	-94	0	0	0	111.7	N334 V335 Y336 E361 S368 A369	N334-H363 VanDerWaalsContact CG-NE2 3.29Å; N334-H363 PolarHBondContact OD1-NE2 3.28Å; V335-H363 PolarHBondContact O-N 2.85Å; Y336-H363 WeakPolarHBondContact CD2-O 3.27Å; E361-H363 IonicContact OE2-NE2 3.74Å; H363-S368 WeakPolarHBondContact CB-OG 3.47Å; H363-S368 PolarHBondContact CE1-O 2.96Å; H363-S368 VanDerWaalsContact ND1-C 3.31Å; H363-S368 PolarHBondContact ND1-O 3.35Å; H363-S368 PolarHBondContact ND1-OG 3.37Å; H363-A369 HydrophobicContact CB-CB 3.86Å; H363-A369 PolarHBondContact ND1-N 3.03Å
364	A	95.1	Very high	88	Confident	93 Å²	93	56.9 Å²	56.9	77%	0.769	31%	0.311	S	S	*	.	S	Bend	trans	-83.9	-16.7	-179.7	0	0	0	0	0	113.3	Y336	Y336-A364 WeakPolarHBondContact CE2-O 3.35Å
365	N	97.5	Very high	90.2	Very high	64 Å²	64	54.1 Å²	54.1	34%	0.342	30%	0.297	S	S	.	.	S	Bend	trans	-151.8	163	178	65.4	81.4	0	0	0	111.5	Y336 Y367 S368 A369	Y336-N365 VanDerWaalsContact CE2-CA 3.43Å; N365-Y367 VanDerWaalsContact C-N 3.29Å; N365-Y367 PolarHBondContact O-N 2.91Å; N365-Y367 WeakPolarHBondContact OD1-CA 3.31Å; N365-Y367 WeakPolarHBondContact OD1-CB 3.46Å; N365-Y367 PolarHBondContact OD1-N 3.42Å; N365-S368 PolarHBondContact O-OG 3.36Å; N365-S368 PolarHBondContact OD1-N 2.98Å; N365-A369 PolarHBondContact O-N 3.45Å
366	A	98.2	Very high	92.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-33.5	-179.7	0	0	0	0	0	114.1	F303 Y336 C370 L388	F303-A366 HydrophobicContact CE1-CB 3.99Å; F303-A366 HydrophobicContact CE2-CB 3.98Å; F303-A366 HydrophobicContact CZ-CB 3.51Å; F303-A366 WeakPolarHBondContact CZ-O 3.32Å; Y336-A366 VanDerWaalsContact CD1-CA 3.48Å; Y336-A366 HydrophobicContact CD1-CB 3.7Å; Y336-A366 HydrophobicContact CE1-CB 3.72Å; A366-C370 PolarHBondContact O-N 3.34Å; A366-C370 PolarHBondContact O-SG 2.98Å; A366-L388 HydrophobicContact CB-CD1 3.56Å; A366-L388 HydrophobicContact CB-CD2 3.96Å; A366-L388 HydrophobicContact CB-CG 4.44Å
367	Y	98.7	Very high	94.2	Very high	49 Å²	49	41.6 Å²	41.6	19%	0.192	23%	0.233	C	C	.	.	H	α-helix	trans	-72.9	-44.9	-175.5	-59.1	-76	0	0	0	111.9	N365 A369 C370 E371 L388 D389 R392 I393	N365-Y367 VanDerWaalsContact C-N 3.29Å; N365-Y367 PolarHBondContact O-N 2.91Å; N365-Y367 WeakPolarHBondContact OD1-CA 3.31Å; N365-Y367 WeakPolarHBondContact OD1-CB 3.46Å; N365-Y367 PolarHBondContact OD1-N 3.42Å; Y367-A369 VanDerWaalsContact C-N 3.28Å; Y367-A369 PolarHBondContact O-N 3.01Å; Y367-C370 PolarHBondContact O-N 3.04Å; Y367-C370 VanDerWaalsContact O-N 3.15Å; Y367-E371 PolarHBondContact O-N 2.8Å; Y367-L388 HydrophobicContact CE2-CD2 4.2Å; Y367-D389 HydrophobicContact CE1-CB 4.29Å; Y367-D389 PolarHBondContact OH-N 3.13Å; Y367-D389 VanDerWaalsContact OH-N 3.15Å; Y367-R392 HydrophobicContact CD1-CB 4.49Å; Y367-R392 HydrophobicContact CD1-CG 4.02Å; Y367-R392 HydrophobicContact CE1-CB 4.27Å; Y367-R392 HydrophobicContact CE1-CG 4.22Å; Y367-I393 HydrophobicContact CD1-CG1 3.86Å; Y367-I393 HydrophobicContact CE1-CD1 4.47Å; Y367-I393 HydrophobicContact CE1-CG1 4.03Å
368	S	98.4	Very high	95.8	Very high	31 Å²	31	34.2 Å²	34.2	22%	0.217	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-32.8	178.5	69.9	0	0	0	0	111.9	H363 N365 C370 E371	H363-S368 WeakPolarHBondContact CB-OG 3.47Å; H363-S368 PolarHBondContact CE1-O 2.96Å; H363-S368 VanDerWaalsContact ND1-C 3.31Å; H363-S368 PolarHBondContact ND1-O 3.35Å; H363-S368 PolarHBondContact ND1-OG 3.37Å; N365-S368 PolarHBondContact O-OG 3.36Å; N365-S368 PolarHBondContact OD1-N 2.98Å; S368-C370 PolarHBondContact O-N 3.35Å; S368-E371 PolarHBondContact O-N 3.29Å
369	A	98.4	Very high	97	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-28.9	174.8	0	0	0	0	0	113	A301 F303 N334 H363 N365 Y367	A301-A369 WeakPolarHBondContact CB-O 3.1Å; F303-A369 HydrophobicContact CE1-CB 4.31Å; N334-A369 HydrophobicContact CB-CB 4.23Å; N334-A369 WeakPolarHBondContact CB-O 3.43Å; N334-A369 PolarHBondContact ND2-O 3.03Å; H363-A369 HydrophobicContact CB-CB 3.86Å; H363-A369 PolarHBondContact ND1-N 3.03Å; N365-A369 PolarHBondContact O-N 3.45Å; Y367-A369 VanDerWaalsContact C-N 3.28Å; Y367-A369 PolarHBondContact O-N 3.01Å
370	C	98.9	Very high	97.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-89.9	-9.3	-178.5	-70.1	0	0	0	0	114.2	F303 A366 Y367 S368 G372 A373 I393 M397	F303-C370 VanDerWaalsContact CZ-SG 3.52Å; A366-C370 PolarHBondContact O-N 3.34Å; A366-C370 PolarHBondContact O-SG 2.98Å; Y367-C370 PolarHBondContact O-N 3.04Å; Y367-C370 VanDerWaalsContact O-N 3.15Å; S368-C370 PolarHBondContact O-N 3.35Å; C370-G372 PolarHBondContact O-N 3.49Å; C370-A373 WeakPolarHBondContact O-CB 3.5Å; C370-A373 PolarHBondContact O-N 3.46Å; C370-A373 VanDerWaalsContact O-N 3.12Å; C370-I393 HydrophobicContact CB-CG2 3.93Å; C370-M397 HydrophobicContact CB-CG 3.99Å; C370-M397 HydrophobicContact CB-SD 4.43Å; C370-M397 VanDerWaalsContact O-CG 3.25Å; C370-M397 WeakPolarHBondContact O-CG 3.34Å
371	E	98.6	Very high	97.7	Very high	128 Å²	128	30.6 Å²	30.6	60%	0.598	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	120.4	-178.5	-170.2	166.3	-159.5	0	0	110.7	Y367 S368 A373	Y367-E371 PolarHBondContact O-N 2.8Å; S368-E371 PolarHBondContact O-N 3.29Å; E371-A373 PolarHBondContact O-N 2.65Å; E371-A373 VanDerWaalsContact O-N 3.15Å
372	G	98.3	Very high	97.9	Very high	30 Å²	30	26.4 Å²	26.4	31%	0.309	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	6.2	-175.8	0	0	0	0	0	115.1	C370 L396 M398	C370-G372 PolarHBondContact O-N 3.49Å; G372-L396 PolarHBondContact N-O 2.94Å; G372-M398 WeakPolarHBondContact O-CG 3.35Å
373	A	98.7	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.163	C	C	.	.			trans	-73.9	142.8	178.4	0	0	0	0	0	111.6	A301 C370 E371 M397 M398	A301-A373 HydrophobicContact CB-CB 4.02Å; C370-A373 WeakPolarHBondContact O-CB 3.5Å; C370-A373 PolarHBondContact O-N 3.46Å; C370-A373 VanDerWaalsContact O-N 3.12Å; E371-A373 PolarHBondContact O-N 2.65Å; E371-A373 VanDerWaalsContact O-N 3.15Å; A373-M397 HydrophobicContact CB-CG 4.45Å; A373-M397 WeakPolarHBondContact O-CA 3.29Å; A373-M397 WeakPolarHBondContact O-CB 3.33Å; A373-M398 PolarHBondContact O-N 3.03Å
374	H	98.7	Very high	97.9	Very high	42 Å²	42	30.9 Å²	30.9	19%	0.194	17%	0.174	C	C	.	.	S	Bend	trans	-82.8	-32.3	175.6	-59.4	74.6	0	0	0	111.6	K298 W299 M398 F402	K298-H374 HydrophobicContact CB-CB 4.31Å; W299-H374 PolarHBondContact N-ND1 3.12Å; W299-H374 VanDerWaalsContact N-ND1 3.14Å; W299-H374 PolarHBondContact O-N 3.44Å; W299-H374 PolarHBondContact O-ND1 3.26Å; H374-M398 PolarHBondContact CE1-SD 2.9Å; H374-M398 PolarHBondContact NE2-SD 3.5Å; H374-F402 PolarHBondContact O-N 3.14Å
375	A	98.9	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.1	-179.6	0	0	0	0	0	111.5	L291 V300 A301 M397 F402 F404	L291-A375 HydrophobicContact CD1-CB 3.88Å; L291-A375 HydrophobicContact CD2-CB 4.19Å; V300-A375 WeakPolarHBondContact CA-O 3.09Å; V300-A375 HydrophobicContact CG1-CB 4.3Å; A301-A375 PolarHBondContact N-O 2.9Å; A375-M397 VanDerWaalsContact C-CE 3.42Å; A375-F402 CarbonylContact C-O 3.57Å; A375-F402 WeakPolarHBondContact CA-O 3.15Å; A375-F402 HydrophobicContact CB-CB 4.03Å; A375-F404 HydrophobicContact CB-CD2 4.16Å; A375-F404 HydrophobicContact CB-CE2 3.95Å
376	L	98.9	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.4	168.4	165.5	61.2	0	0	0	108.6	A301 F303 Y390 I393 M397 F402 V403 F404	A301-L376 HydrophobicContact CB-CD1 4.11Å; A301-L376 CarbonylContact O-C 3.52Å; A301-L376 WeakPolarHBondContact O-CA 3.41Å; F303-L376 HydrophobicContact CB-CD1 4.13Å; F303-L376 HydrophobicContact CD1-CD1 3.41Å; F303-L376 VanDerWaalsContact CD1-CD1 3.41Å; F303-L376 HydrophobicContact CD2-CD1 3.61Å; F303-L376 HydrophobicContact CD2-CD2 4.36Å; F303-L376 HydrophobicContact CE1-CD1 3.49Å; F303-L376 VanDerWaalsContact CE1-CD1 3.49Å; F303-L376 HydrophobicContact CE2-CD1 3.66Å; F303-L376 HydrophobicContact CE2-CD2 3.95Å; F303-L376 HydrophobicContact CE2-CG 4.47Å; F303-L376 HydrophobicContact CG-CD1 3.46Å; F303-L376 VanDerWaalsContact CG-CD1 3.46Å; F303-L376 HydrophobicContact CZ-CD1 3.6Å; F303-L376 HydrophobicContact CZ-CD2 4.23Å; L376-Y390 HydrophobicContact CD2-CE1 3.91Å; L376-I393 HydrophobicContact CD2-CG2 4.33Å; L376-M397 HydrophobicContact CB-CE 3.99Å; L376-M397 HydrophobicContact CB-SD 4.16Å; L376-F402 PolarHBondContact N-O 3.32Å; L376-V403 HydrophobicContact CB-CG2 4.34Å; L376-V403 HydrophobicContact CD2-CG2 4.38Å; L376-V403 CarbonylContact O-C 3.48Å; L376-V403 WeakPolarHBondContact O-CA 3.4Å; L376-F404 PolarHBondContact O-N 2.97Å
377	V	98.9	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.7	-178.9	-171.4	0	0	0	0	109.4	F283 I287 V300 A301 I302 F303 L379 F404	F283-V377 HydrophobicContact CE1-CG1 3.65Å; F283-V377 HydrophobicContact CZ-CG1 4.18Å; I287-V377 HydrophobicContact CD1-CG1 3.81Å; I287-V377 HydrophobicContact CD1-CG2 3.89Å; V300-V377 HydrophobicContact CG1-CB 4.43Å; V300-V377 HydrophobicContact CG1-CG2 3.38Å; A301-V377 PolarHBondContact O-N 3.18Å; I302-V377 HydrophobicContact CD1-CB 4Å; I302-V377 HydrophobicContact CD1-CG2 4.24Å; F303-V377 PolarHBondContact N-O 3.49Å; V377-L379 HydrophobicContact CG1-CD1 4.29Å; V377-L379 HydrophobicContact CG1-CD2 3.57Å; V377-L379 HydrophobicContact CG1-CG 3.82Å; V377-F404 CarbonylContact C-O 3.5Å; V377-F404 WeakPolarHBondContact CA-O 3.39Å; V377-F404 HydrophobicContact CG1-CB 4.24Å; V377-F404 HydrophobicContact CG2-CB 4.24Å; V377-F404 HydrophobicContact CG2-CD2 4.24Å
378	V	98.9	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	114.8	177.4	-178.2	0	0	0	0	109.6	F303 F385 F404 G406 R407 L409 L410	F303-V378 HydrophobicContact CB-CG2 4.27Å; F303-V378 HydrophobicContact CD2-CG2 4.47Å; V378-F385 HydrophobicContact CG1-CD2 4.19Å; V378-F404 PolarHBondContact N-O 3.04Å; V378-G406 WeakPolarHBondContact O-CA 3.42Å; V378-G406 PolarHBondContact O-N 3.35Å; V378-R407 HydrophobicContact CG1-CB 4.5Å; V378-L409 HydrophobicContact CG1-CB 4.44Å; V378-L409 HydrophobicContact CG1-CD2 3.87Å; V378-L410 HydrophobicContact CG2-CD1 3.89Å; V378-L410 HydrophobicContact CG2-CG 4.38Å
379	L	98.7	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.183	C	C	.	.			trans	-117.5	-15	-175.5	-59.3	-177.7	0	0	0	113.7	V239 F283 I302 F303 S319 I322 V377 R407	V239-L379 HydrophobicContact CG1-CD2 3.96Å; F283-L379 HydrophobicContact CD1-CD2 4.32Å; F283-L379 HydrophobicContact CE1-CD2 3.73Å; I302-L379 HydrophobicContact CD1-CD1 4.49Å; I302-L379 HydrophobicContact CG2-CD1 3.7Å; I302-L379 HydrophobicContact CG2-CG 4.37Å; F303-L379 PolarHBondContact O-N 3.15Å; S319-L379 WeakPolarHBondContact OG-CB 3.44Å; I322-L379 HydrophobicContact CB-CD1 4.14Å; I322-L379 HydrophobicContact CD1-CD1 4.38Å; I322-L379 HydrophobicContact CD1-CD2 3.57Å; I322-L379 HydrophobicContact CG2-CD1 4.02Å; I322-L379 HydrophobicContact CG2-CD2 4.38Å; V377-L379 HydrophobicContact CG1-CD1 4.29Å; V377-L379 HydrophobicContact CG1-CD2 3.57Å; V377-L379 HydrophobicContact CG1-CG 3.82Å; L379-R407 VanDerWaalsContact O-CZ 3.25Å; L379-R407 PolarHBondContact O-NE 3.15Å; L379-R407 PolarHBondContact O-NH2 2.94Å
380	T	97.5	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-130.9	135.8	172.2	-46.2	0	0	0	0	110.4	F303 G304 F305 S306 W382 F385	F303-T380 PolarHBondContact O-N 2.82Å; G304-T380 VanDerWaalsContact C-OG1 3.25Å; G304-T380 VanDerWaalsContact CA-OG1 3.27Å; G304-T380 WeakPolarHBondContact CA-OG1 3.39Å; F305-T380 PolarHBondContact N-OG1 2.99Å; S306-T380 PolarHBondContact O-OG1 3.35Å; T380-W382 HydrophobicContact CG2-CG 4.35Å; T380-W382 PolarHBondContact O-N 2.94Å; T380-F385 WeakPolarHBondContact O-CD2 3.15Å; T380-F385 VanDerWaalsContact O-CE2 3.3Å; T380-F385 WeakPolarHBondContact O-CE2 3.38Å
381	E	96	Very high	98	Very high	42 Å²	42	41.1 Å²	41.1	20%	0.196	22%	0.216	C	C	.	.			trans	-77.5	37.5	-171.4	67.2	-70.3	164.6	0	0	114.8	K308 K309 D383 R407 L409	K308-E381 WeakPolarHBondContact CA-OE1 3.21Å; K308-E381 WeakPolarHBondContact CB-OE1 3.32Å; K309-E381 HydrophobicContact CB-CG 4.21Å; K309-E381 HydrophobicContact CD-CG 4.1Å; K309-E381 WeakPolarHBondContact CD-O 3.32Å; K309-E381 HydrophobicContact CG-CG 4.04Å; K309-E381 PolarHBondContact N-OE1 3.29Å; E381-D383 PolarHBondContact O-N 3.22Å; E381-R407 HydrophobicContact CB-CB 4.2Å; E381-R407 HydrophobicContact CB-CG 4.22Å; E381-R407 IonicContact OE2-CZ 3.15Å; E381-R407 IonicContact OE2-NE 3.88Å; E381-R407 PolarHBondContact OE2-NE 2.93Å; E381-R407 IonicContact OE2-NH1 2.67Å; E381-R407 PolarHBondContact OE2-NH1 3.26Å; E381-R407 IonicContact OE2-NH2 3.32Å; E381-L409 HydrophobicContact CB-CD1 3.79Å
382	W	96.9	Very high	98	Very high	12 Å²	12	41.2 Å²	41.2	5%	0.045	21%	0.21	C	C	.	.			trans	-57.7	128.8	178.8	-69.3	109.2	0	0	0	111.5	S306 K309 N310 T311 D337 P338 K339 T380 E384 F385	S306-W382 WeakPolarHBondContact OG-CZ2 3.31Å; K309-W382 HydrophobicContact CB-CD2 4.08Å; K309-W382 HydrophobicContact CB-CE3 3.94Å; K309-W382 HydrophobicContact CB-CZ3 4.34Å; N310-W382 VanDerWaalsContact CA-CZ3 3.48Å; T311-W382 WeakPolarHBondContact O-CZ2 3.46Å; D337-W382 PolarHBondContact OD2-NE1 2.91Å; P338-W382 HydrophobicContact CG-CD2 4.3Å; P338-W382 HydrophobicContact CG-CG 4.26Å; K339-W382 HydrophobicContact CB-CH2 3.68Å; K339-W382 HydrophobicContact CB-CZ2 3.91Å; K339-W382 HydrophobicContact CG-CH2 3.31Å; K339-W382 HydrophobicContact CG-CZ2 3.98Å; K339-W382 HydrophobicContact CG-CZ3 3.83Å; T380-W382 HydrophobicContact CG2-CG 4.35Å; T380-W382 PolarHBondContact O-N 2.94Å; W382-E384 PolarHBondContact O-N 2.89Å; W382-F385 HydrophobicContact CB-CD1 4.32Å; W382-F385 HydrophobicContact CB-CD2 3.8Å; W382-F385 HydrophobicContact CB-CE1 4.26Å; W382-F385 HydrophobicContact CB-CE2 3.75Å; W382-F385 HydrophobicContact CB-CG 4.09Å; W382-F385 HydrophobicContact CB-CZ 4Å; W382-F385 AromaticContact CD1-CE2 3.5Å; W382-F385 VanDerWaalsContact CD1-CE2 3.5Å; W382-F385 AromaticContact CD1-CZ 3.59Å; W382-F385 HydrophobicContact CG-CE2 4.01Å; W382-F385 HydrophobicContact CG-CZ 4.1Å; W382-F385 WeakPolarHBondContact O-CB 3.26Å; W382-F385 PolarHBondContact O-N 2.78Å
383	D	95.7	Very high	98	Very high	71 Å²	71	39.8 Å²	39.8	38%	0.38	20%	0.196	S	C	.	.	H	α-helix	trans	-63.9	-27.5	-177.7	-67.9	-52.7	0	0	0	112.3	K309 E381 F385 K386	K309-D383 IonicContact NZ-OD1 3.33Å; K309-D383 PolarHBondContact NZ-OD1 2.91Å; K309-D383 IonicContact NZ-OD2 3.05Å; K309-D383 PolarHBondContact NZ-OD2 3.04Å; E381-D383 PolarHBondContact O-N 3.22Å; D383-F385 PolarHBondContact O-N 2.86Å; D383-K386 WeakPolarHBondContact O-CB 3.45Å; D383-K386 PolarHBondContact O-N 2.69Å; D383-K386 VanDerWaalsContact O-N 3.17Å; D383-K386 IonicContact OD1-NZ 2.83Å; D383-K386 PolarHBondContact OD1-NZ 3.07Å
384	E	96.7	Very high	98	Very high	85 Å²	85	42.7 Å²	42.7	40%	0.397	21%	0.207	S	C	.	.	H	α-helix	trans	-53.7	-39.9	172.2	-179.6	179.2	106.9	0	0	112.1	Y336 W382 K386 A387 L388	Y336-E384 VanDerWaalsContact CE1-OE1 3.27Å; Y336-E384 WeakPolarHBondContact CE1-OE1 3.48Å; Y336-E384 PolarHBondContact OH-OE1 3.11Å; W382-E384 PolarHBondContact O-N 2.89Å; E384-K386 PolarHBondContact O-N 2.78Å; E384-A387 PolarHBondContact O-N 3.13Å; E384-L388 HydrophobicContact CG-CD2 4.47Å
385	F	98.6	Very high	98	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-29.7	-176.2	-59.3	-20.1	0	0	0	112	F303 Y336 P338 V378 T380 W382 D383 A387 L388 Y390 L409	F303-F385 VanDerWaalsContact C-CE2 3.5Å; F303-F385 HydrophobicContact CB-CD2 3.96Å; F303-F385 HydrophobicContact CB-CE1 4.33Å; F303-F385 HydrophobicContact CB-CE2 3.57Å; F303-F385 HydrophobicContact CB-CG 4.48Å; F303-F385 HydrophobicContact CB-CZ 3.78Å; F303-F385 HydrophobicContact CD2-CB 4.44Å; F303-F385 AromaticContact CD2-CD1 3.89Å; F303-F385 HydrophobicContact CD2-CD1 3.89Å; F303-F385 HydrophobicContact CD2-CD2 4.23Å; F303-F385 HydrophobicContact CD2-CE1 4.16Å; F303-F385 HydrophobicContact CD2-CE2 4.46Å; F303-F385 AromaticContact CD2-CG 3.94Å; F303-F385 HydrophobicContact CD2-CG 3.94Å; F303-F385 HydrophobicContact CD2-CZ 4.43Å; F303-F385 HydrophobicContact CE2-CD1 4.49Å; F303-F385 HydrophobicContact CG-CD1 4.42Å; F303-F385 HydrophobicContact CG-CE1 4.25Å; F303-F385 HydrophobicContact CG-CE2 4.31Å; F303-F385 HydrophobicContact CG-CZ 4.18Å; Y336-F385 AromaticContact CD1-CE1 3.87Å; Y336-F385 HydrophobicContact CD1-CE1 3.87Å; Y336-F385 HydrophobicContact CD1-CZ 4.42Å; Y336-F385 AromaticContact CE1-CE1 3.77Å; Y336-F385 HydrophobicContact CE1-CE1 3.77Å; P338-F385 HydrophobicContact CG-CE1 4.28Å; V378-F385 HydrophobicContact CG1-CD2 4.19Å; T380-F385 WeakPolarHBondContact O-CD2 3.15Å; T380-F385 VanDerWaalsContact O-CE2 3.3Å; T380-F385 WeakPolarHBondContact O-CE2 3.38Å; W382-F385 HydrophobicContact CB-CD1 4.32Å; W382-F385 HydrophobicContact CB-CD2 3.8Å; W382-F385 HydrophobicContact CB-CE1 4.26Å; W382-F385 HydrophobicContact CB-CE2 3.75Å; W382-F385 HydrophobicContact CB-CG 4.09Å; W382-F385 HydrophobicContact CB-CZ 4Å; W382-F385 AromaticContact CD1-CE2 3.5Å; W382-F385 VanDerWaalsContact CD1-CE2 3.5Å; W382-F385 AromaticContact CD1-CZ 3.59Å; W382-F385 HydrophobicContact CG-CE2 4.01Å; W382-F385 HydrophobicContact CG-CZ 4.1Å; W382-F385 WeakPolarHBondContact O-CB 3.26Å; W382-F385 PolarHBondContact O-N 2.78Å; D383-F385 PolarHBondContact O-N 2.86Å; F385-A387 VanDerWaalsContact C-N 3.25Å; F385-A387 PolarHBondContact O-N 3.08Å; F385-L388 HydrophobicContact CB-CD1 4.47Å; F385-L388 HydrophobicContact CD1-CD1 4.17Å; F385-Y390 WeakPolarHBondContact O-CE2 3.29Å; F385-Y390 PolarHBondContact O-OH 2.81Å; F385-L409 HydrophobicContact CB-CD2 3.79Å; F385-L409 HydrophobicContact CD2-CD2 4.21Å
386	K	97.6	Very high	98	Very high	108 Å²	108	47 Å²	47	47%	0.47	24%	0.242	S	C	.	.	H	α-helix	trans	-64.8	-30.7	175.3	-61	173.4	-177.7	162.7	0	112.7	D383 E384 L409	D383-K386 WeakPolarHBondContact O-CB 3.45Å; D383-K386 PolarHBondContact O-N 2.69Å; D383-K386 VanDerWaalsContact O-N 3.17Å; D383-K386 IonicContact OD1-NZ 2.83Å; D383-K386 PolarHBondContact OD1-NZ 3.07Å; E384-K386 PolarHBondContact O-N 2.78Å; K386-L409 HydrophobicContact CD-CD1 4.3Å; K386-L409 HydrophobicContact CG-CD1 4.12Å; K386-L409 HydrophobicContact CG-CD2 4.37Å; K386-L409 HydrophobicContact CG-CG 3.82Å
387	A	96.2	Very high	98	Very high	88 Å²	88	47.4 Å²	47.4	73%	0.727	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-1.6	-169.7	0	0	0	0	0	113.9	E384 F385	E384-A387 PolarHBondContact O-N 3.13Å; F385-A387 VanDerWaalsContact C-N 3.25Å; F385-A387 PolarHBondContact O-N 3.08Å
388	L	98.3	Very high	98	Very high	17 Å²	17	51.6 Å²	51.6	9%	0.089	27%	0.265	C	S	.	.	S	Bend	trans	-67.4	152.6	-177.7	-64.7	172	0	0	0	112.9	F303 A366 Y367 E384 F385 Y390 I393	F303-L388 HydrophobicContact CD2-CD1 4.27Å; F303-L388 HydrophobicContact CE2-CD1 3.48Å; F303-L388 VanDerWaalsContact CE2-CD1 3.48Å; F303-L388 HydrophobicContact CZ-CD1 4.17Å; A366-L388 HydrophobicContact CB-CD1 3.56Å; A366-L388 HydrophobicContact CB-CD2 3.96Å; A366-L388 HydrophobicContact CB-CG 4.44Å; Y367-L388 HydrophobicContact CE2-CD2 4.2Å; E384-L388 HydrophobicContact CG-CD2 4.47Å; F385-L388 HydrophobicContact CB-CD1 4.47Å; F385-L388 HydrophobicContact CD1-CD1 4.17Å; L388-Y390 HydrophobicContact CB-CD2 4.47Å; L388-Y390 HydrophobicContact CB-CE2 4.11Å; L388-Y390 VanDerWaalsContact O-CD2 3.3Å; L388-Y390 WeakPolarHBondContact O-CD2 3.22Å; L388-Y390 PolarHBondContact O-N 2.89Å; L388-Y390 VanDerWaalsContact O-N 3.07Å; L388-I393 HydrophobicContact CB-CD1 4.01Å; L388-I393 HydrophobicContact CD1-CD1 4.05Å
389	D	98.5	Very high	97.9	Very high	81 Å²	81	56.1 Å²	56.1	43%	0.433	29%	0.285	S	S	.	.			trans	-78	92.4	170.4	-176	-4.9	0	0	0	110.6	Y367 K391 R392 I393	Y367-D389 HydrophobicContact CE1-CB 4.29Å; Y367-D389 PolarHBondContact OH-N 3.13Å; Y367-D389 VanDerWaalsContact OH-N 3.15Å; D389-K391 VanDerWaalsContact C-N 3.26Å; D389-K391 PolarHBondContact O-N 2.83Å; D389-K391 WeakPolarHBondContact OD1-CB 3.26Å; D389-K391 PolarHBondContact OD1-N 3.45Å; D389-R392 HydrophobicContact CB-CB 4.05Å; D389-R392 WeakPolarHBondContact O-CB 3.49Å; D389-R392 PolarHBondContact O-N 3.49Å; D389-R392 PolarHBondContact OD1-N 3.44Å; D389-I393 PolarHBondContact O-N 2.84Å
390	Y	98.7	Very high	97.8	Very high	13 Å²	13	59.3 Å²	59.3	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-68.5	-18.7	178.2	-77.3	-79.4	0	0	0	114.5	L376 F385 L388 I393 Y394 L410 L415 F420	L376-Y390 HydrophobicContact CD2-CE1 3.91Å; F385-Y390 WeakPolarHBondContact O-CE2 3.29Å; F385-Y390 PolarHBondContact O-OH 2.81Å; L388-Y390 HydrophobicContact CB-CD2 4.47Å; L388-Y390 HydrophobicContact CB-CE2 4.11Å; L388-Y390 VanDerWaalsContact O-CD2 3.3Å; L388-Y390 WeakPolarHBondContact O-CD2 3.22Å; L388-Y390 PolarHBondContact O-N 2.89Å; L388-Y390 VanDerWaalsContact O-N 3.07Å; Y390-I393 HydrophobicContact CD1-CD1 3.96Å; Y390-I393 HydrophobicContact CE1-CD1 4Å; Y390-Y394 VanDerWaalsContact O-CB 3.29Å; Y390-Y394 WeakPolarHBondContact O-CB 3.39Å; Y390-Y394 PolarHBondContact O-N 3.25Å; Y390-L410 HydrophobicContact CE1-CD1 3.98Å; Y390-L410 HydrophobicContact CE2-CD2 4.28Å; Y390-L410 WeakPolarHBondContact OH-CD1 3.49Å; Y390-L410 WeakPolarHBondContact OH-CD2 3.34Å; Y390-L415 HydrophobicContact CD1-CD2 3.39Å; Y390-L415 HydrophobicContact CD2-CD2 4.16Å; Y390-L415 HydrophobicContact CE1-CD2 4.06Å; Y390-L415 HydrophobicContact CG-CD2 3.45Å; Y390-L415 VanDerWaalsContact CG-CD2 3.45Å; Y390-F420 HydrophobicContact CD1-CE2 4.43Å; Y390-F420 WeakPolarHBondContact O-CE2 3.44Å
391	K	98.7	Very high	97.9	Very high	147 Å²	147	59.3 Å²	59.3	64%	0.639	31%	0.305	S	S	*	.	H	α-helix	trans	-70.4	-41	171	-70.9	-177.2	176.5	-177.7	0	110.1	D389 Y394 A395 I418	D389-K391 VanDerWaalsContact C-N 3.26Å; D389-K391 PolarHBondContact O-N 2.83Å; D389-K391 WeakPolarHBondContact OD1-CB 3.26Å; D389-K391 PolarHBondContact OD1-N 3.45Å; K391-Y394 WeakPolarHBondContact O-CB 3.37Å; K391-Y394 PolarHBondContact O-N 2.98Å; K391-A395 PolarHBondContact O-N 3.23Å; K391-I418 HydrophobicContact CG-CD1 3.88Å; K391-I418 HydrophobicContact CG-CG1 3.97Å; K391-I418 HydrophobicContact CG-CG2 4.42Å
392	R	98.7	Very high	98	Very high	129 Å²	129	57.9 Å²	57.9	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-47.2	172.8	-179	178.5	176.1	-166.6	0.2	111.6	Y367 D389 Y394 A395 L396	Y367-R392 HydrophobicContact CD1-CB 4.49Å; Y367-R392 HydrophobicContact CD1-CG 4.02Å; Y367-R392 HydrophobicContact CE1-CB 4.27Å; Y367-R392 HydrophobicContact CE1-CG 4.22Å; D389-R392 HydrophobicContact CB-CB 4.05Å; D389-R392 WeakPolarHBondContact O-CB 3.49Å; D389-R392 PolarHBondContact O-N 3.49Å; D389-R392 PolarHBondContact OD1-N 3.44Å; R392-Y394 VanDerWaalsContact C-N 3.28Å; R392-Y394 PolarHBondContact O-N 3.15Å; R392-A395 PolarHBondContact O-N 3.45Å; R392-A395 VanDerWaalsContact O-N 3.14Å; R392-L396 HydrophobicContact CG-CD1 4.12Å; R392-L396 WeakPolarHBondContact O-CG 3.29Å; R392-L396 PolarHBondContact O-N 3.28Å; R392-L396 VanDerWaalsContact O-N 3.11Å
393	I	98.9	Very high	98.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.7	-44.8	175.9	-68.4	171.8	0	0	0	110.4	F303 Y367 C370 L376 L388 D389 Y390 A395 L396 M397 F420	F303-I393 HydrophobicContact CE2-CD1 4.35Å; F303-I393 HydrophobicContact CZ-CD1 4.29Å; Y367-I393 HydrophobicContact CD1-CG1 3.86Å; Y367-I393 HydrophobicContact CE1-CD1 4.47Å; Y367-I393 HydrophobicContact CE1-CG1 4.03Å; C370-I393 HydrophobicContact CB-CG2 3.93Å; L376-I393 HydrophobicContact CD2-CG2 4.33Å; L388-I393 HydrophobicContact CB-CD1 4.01Å; L388-I393 HydrophobicContact CD1-CD1 4.05Å; D389-I393 PolarHBondContact O-N 2.84Å; Y390-I393 HydrophobicContact CD1-CD1 3.96Å; Y390-I393 HydrophobicContact CE1-CD1 4Å; I393-A395 VanDerWaalsContact C-N 3.32Å; I393-A395 PolarHBondContact O-N 3.36Å; I393-L396 PolarHBondContact O-N 3.24Å; I393-M397 HydrophobicContact CG2-CG 4.31Å; I393-M397 HydrophobicContact CG2-SD 3.66Å; I393-M397 WeakPolarHBondContact O-CG 3.28Å; I393-M397 PolarHBondContact O-N 2.91Å; I393-M397 VanDerWaalsContact O-N 3.16Å; I393-F420 HydrophobicContact CG2-CZ 4.09Å
394	Y	98.8	Very high	98.2	Very high	62 Å²	62	53.9 Å²	53.9	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-44.9	176.3	-174.6	-103.9	0	0	0	111.5	Y390 K391 R392 L396 M397 K399 A401 I418 G419 F420	Y390-Y394 VanDerWaalsContact O-CB 3.29Å; Y390-Y394 WeakPolarHBondContact O-CB 3.39Å; Y390-Y394 PolarHBondContact O-N 3.25Å; K391-Y394 WeakPolarHBondContact O-CB 3.37Å; K391-Y394 PolarHBondContact O-N 2.98Å; R392-Y394 VanDerWaalsContact C-N 3.28Å; R392-Y394 PolarHBondContact O-N 3.15Å; Y394-L396 VanDerWaalsContact C-N 3.29Å; Y394-L396 PolarHBondContact O-N 3.27Å; Y394-M397 PolarHBondContact O-N 3.5Å; Y394-K399 HydrophobicContact CE1-CD 4.15Å; Y394-K399 VanDerWaalsContact CE1-CE 3.42Å; Y394-K399 HydrophobicContact CE2-CD 3.86Å; Y394-K399 VanDerWaalsContact CE2-CE 3.48Å; Y394-K399 VanDerWaalsContact O-CE 3.25Å; Y394-K399 WeakPolarHBondContact O-CE 3.36Å; Y394-K399 PolarHBondContact O-NZ 3.47Å; Y394-A401 HydrophobicContact CD2-CB 3.86Å; Y394-A401 HydrophobicContact CE2-CB 3.88Å; Y394-I418 HydrophobicContact CD1-CG2 3.92Å; Y394-I418 HydrophobicContact CD2-CG2 4.03Å; Y394-I418 HydrophobicContact CG-CG2 3.57Å; Y394-G419 WeakPolarHBondContact CE2-O 3.42Å; Y394-F420 VanDerWaalsContact CA-CZ 3.48Å; Y394-F420 VanDerWaalsContact CB-CZ 3.48Å; Y394-F420 AromaticContact CD2-CD1 3.8Å; Y394-F420 HydrophobicContact CD2-CD1 3.8Å; Y394-F420 AromaticContact CD2-CD2 3.9Å; Y394-F420 HydrophobicContact CD2-CD2 3.9Å; Y394-F420 AromaticContact CD2-CE1 3.76Å; Y394-F420 HydrophobicContact CD2-CE1 3.76Å; Y394-F420 AromaticContact CD2-CE2 3.85Å; Y394-F420 HydrophobicContact CD2-CE2 3.85Å; Y394-F420 AromaticContact CD2-CG 3.9Å; Y394-F420 HydrophobicContact CD2-CG 3.9Å; Y394-F420 AromaticContact CD2-CZ 3.8Å; Y394-F420 HydrophobicContact CD2-CZ 3.8Å; Y394-F420 HydrophobicContact CE2-CD1 4.45Å; Y394-F420 HydrophobicContact CE2-CG 4.45Å; Y394-F420 HydrophobicContact CG-CE1 4.49Å; Y394-F420 HydrophobicContact CG-CE2 4.18Å; Y394-F420 HydrophobicContact CG-CZ 4.15Å
395	A	98.7	Very high	98.3	Very high	80 Å²	80	49.9 Å²	49.9	66%	0.661	26%	0.259	S	S	*	.	H	α-helix	trans	-63.6	-32.3	179.1	0	0	0	0	0	113.7	K391 R392 I393	K391-A395 PolarHBondContact O-N 3.23Å; R392-A395 PolarHBondContact O-N 3.45Å; R392-A395 VanDerWaalsContact O-N 3.14Å; I393-A395 VanDerWaalsContact C-N 3.32Å; I393-A395 PolarHBondContact O-N 3.36Å
396	L	98.6	Very high	98.3	Very high	51 Å²	51	49.9 Å²	49.9	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-78.5	-26.8	-178.9	-68.7	170.9	0	0	0	113.9	G372 R392 I393 Y394	G372-L396 PolarHBondContact N-O 2.94Å; R392-L396 HydrophobicContact CG-CD1 4.12Å; R392-L396 WeakPolarHBondContact O-CG 3.29Å; R392-L396 PolarHBondContact O-N 3.28Å; R392-L396 VanDerWaalsContact O-N 3.11Å; I393-L396 PolarHBondContact O-N 3.24Å; Y394-L396 VanDerWaalsContact C-N 3.29Å; Y394-L396 PolarHBondContact O-N 3.27Å
397	M	98.8	Very high	98.3	Very high	9 Å²	9	46.5 Å²	46.5	4%	0.044	24%	0.244	C	C	.	.	S	Bend	trans	-80.4	160.7	-176	-73.3	178.3	71.1	0	0	112.8	C370 A373 A375 L376 I393 Y394 K399 A401 F420	C370-M397 HydrophobicContact CB-CG 3.99Å; C370-M397 HydrophobicContact CB-SD 4.43Å; C370-M397 VanDerWaalsContact O-CG 3.25Å; C370-M397 WeakPolarHBondContact O-CG 3.34Å; A373-M397 HydrophobicContact CB-CG 4.45Å; A373-M397 WeakPolarHBondContact O-CA 3.29Å; A373-M397 WeakPolarHBondContact O-CB 3.33Å; A375-M397 VanDerWaalsContact C-CE 3.42Å; L376-M397 HydrophobicContact CB-CE 3.99Å; L376-M397 HydrophobicContact CB-SD 4.16Å; I393-M397 HydrophobicContact CG2-CG 4.31Å; I393-M397 HydrophobicContact CG2-SD 3.66Å; I393-M397 WeakPolarHBondContact O-CG 3.28Å; I393-M397 PolarHBondContact O-N 2.91Å; I393-M397 VanDerWaalsContact O-N 3.16Å; Y394-M397 PolarHBondContact O-N 3.5Å; M397-K399 PolarHBondContact O-NZ 2.78Å; M397-A401 HydrophobicContact CB-CB 4.11Å; M397-A401 HydrophobicContact CE-CB 4.29Å; M397-F420 HydrophobicContact SD-CE1 3.77Å; M397-F420 HydrophobicContact SD-CZ 4.48Å
398	M	98.3	Very high	98.3	Very high	89 Å²	89	43.5 Å²	43.5	44%	0.438	22%	0.215	S	C	.	.			trans	-67	163.9	166.6	-69.6	-172	63.5	0	0	111.5	G372 A373 H374 A401	G372-M398 WeakPolarHBondContact O-CG 3.35Å; A373-M398 PolarHBondContact O-N 3.03Å; H374-M398 PolarHBondContact CE1-SD 2.9Å; H374-M398 PolarHBondContact NE2-SD 3.5Å; M398-A401 WeakPolarHBondContact O-CA 3.34Å; M398-A401 WeakPolarHBondContact O-CB 3.38Å; M398-A401 PolarHBondContact O-N 2.84Å
399	K	97.6	Very high	98.2	Very high	94 Å²	94	43.8 Å²	43.8	41%	0.409	22%	0.217	S	C	.	.	S	Bend	trans	-119.9	139.9	-178.9	-61.1	-69.3	158.7	-70.7	0	111	Y394 M397 A401	Y394-K399 HydrophobicContact CE1-CD 4.15Å; Y394-K399 VanDerWaalsContact CE1-CE 3.42Å; Y394-K399 HydrophobicContact CE2-CD 3.86Å; Y394-K399 VanDerWaalsContact CE2-CE 3.48Å; Y394-K399 VanDerWaalsContact O-CE 3.25Å; Y394-K399 WeakPolarHBondContact O-CE 3.36Å; Y394-K399 PolarHBondContact O-NZ 3.47Å; M397-K399 PolarHBondContact O-NZ 2.78Å; K399-A401 HydrophobicContact CD-CB 4.22Å
400	P	96.8	Very high	98.2	Very high	67 Å²	67	40.4 Å²	40.4	44%	0.435	20%	0.199	S	C	.	.	S	Bend	cis	-64.5	140.6	-6.4	24	-29.3	0	0	0	112	F292 F402 V421	F292-P400 HydrophobicContact CE2-CG 4.49Å; F292-P400 HydrophobicContact CZ-CG 4.22Å; P400-F402 HydrophobicContact CB-CE2 4.1Å; P400-F402 HydrophobicContact CG-CE2 3.73Å; P400-F402 HydrophobicContact CG-CZ 4.16Å; P400-F402 WeakPolarHBondContact O-CD2 3.38Å; P400-V421 HydrophobicContact CB-CG2 4.35Å
401	A	98.1	Very high	98.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-91.8	120.7	-177.9	0	0	0	0	0	109.5	Y394 M397 M398 K399 F420 V421	Y394-A401 HydrophobicContact CD2-CB 3.86Å; Y394-A401 HydrophobicContact CE2-CB 3.88Å; M397-A401 HydrophobicContact CB-CB 4.11Å; M397-A401 HydrophobicContact CE-CB 4.29Å; M398-A401 WeakPolarHBondContact O-CA 3.34Å; M398-A401 WeakPolarHBondContact O-CB 3.38Å; M398-A401 PolarHBondContact O-N 2.84Å; K399-A401 HydrophobicContact CD-CB 4.22Å; A401-F420 HydrophobicContact CB-CD1 3.62Å; A401-F420 HydrophobicContact CB-CE1 3.79Å; A401-F420 WeakPolarHBondContact O-CA 3.34Å; A401-V421 PolarHBondContact O-N 3.24Å
402	F	98.7	Very high	98.1	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.053	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	144.6	-179.2	-68.1	-99.6	0	0	0	112.1	R290 L291 F292 H374 A375 L376 P400 F404 V421	R290-F402 WeakPolarHBondContact O-CE1 3.49Å; L291-F402 HydrophobicContact CD2-CB 4.12Å; L291-F402 HydrophobicContact CD2-CD1 4.35Å; L291-F402 HydrophobicContact CD2-CD2 3.4Å; L291-F402 HydrophobicContact CD2-CE2 3.77Å; L291-F402 HydrophobicContact CD2-CG 3.72Å; L291-F402 HydrophobicContact CD2-CZ 4.41Å; F292-F402 HydrophobicContact CE2-CE2 4.1Å; F292-F402 HydrophobicContact CE2-CZ 4.09Å; F292-F402 HydrophobicContact CZ-CE2 4.36Å; F292-F402 AromaticContact CZ-CZ 3.99Å; F292-F402 HydrophobicContact CZ-CZ 3.99Å; H374-F402 PolarHBondContact O-N 3.14Å; A375-F402 CarbonylContact C-O 3.57Å; A375-F402 WeakPolarHBondContact CA-O 3.15Å; A375-F402 HydrophobicContact CB-CB 4.03Å; L376-F402 PolarHBondContact N-O 3.32Å; P400-F402 HydrophobicContact CB-CE2 4.1Å; P400-F402 HydrophobicContact CG-CE2 3.73Å; P400-F402 HydrophobicContact CG-CZ 4.16Å; P400-F402 WeakPolarHBondContact O-CD2 3.38Å; F402-F404 HydrophobicContact CB-CD2 4.35Å; F402-F404 HydrophobicContact CB-CE2 3.64Å; F402-F404 HydrophobicContact CB-CZ 4.25Å; F402-F404 HydrophobicContact CD1-CE2 4.5Å; F402-F404 HydrophobicContact CD1-CZ 4.27Å; F402-F404 HydrophobicContact CG-CE2 4.37Å; F402-V421 CarbonylContact C-O 3.47Å; F402-V421 VanDerWaalsContact CA-O 3.32Å; F402-V421 WeakPolarHBondContact CA-O 3.01Å; F402-V421 HydrophobicContact CD1-CB 3.62Å; F402-V421 HydrophobicContact CD1-CG1 3.68Å; F402-V421 HydrophobicContact CD1-CG2 4.49Å; F402-V421 HydrophobicContact CE1-CB 3.72Å; F402-V421 HydrophobicContact CE1-CG1 3.54Å; F402-V421 HydrophobicContact CE1-CG2 4.23Å; F402-V421 HydrophobicContact CG-CB 4.25Å; F402-V421 HydrophobicContact CZ-CB 4.44Å
403	V	98.8	Very high	98	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.2	168.5	177.9	0	0	0	0	109.2	L376 L410 L415 F420 V421 V422 H423	L376-V403 HydrophobicContact CB-CG2 4.34Å; L376-V403 HydrophobicContact CD2-CG2 4.38Å; L376-V403 CarbonylContact O-C 3.48Å; L376-V403 WeakPolarHBondContact O-CA 3.4Å; V403-L410 HydrophobicContact CG1-CD1 3.95Å; V403-L415 HydrophobicContact CB-CD1 4.47Å; V403-L415 HydrophobicContact CG1-CD1 4.05Å; V403-L415 HydrophobicContact CG2-CD1 4.47Å; V403-F420 HydrophobicContact CG2-CB 4.11Å; V403-F420 HydrophobicContact CG2-CD1 3.4Å; V403-F420 VanDerWaalsContact CG2-CD1 3.4Å; V403-F420 HydrophobicContact CG2-CD2 4.44Å; V403-F420 HydrophobicContact CG2-CE1 3.78Å; V403-F420 HydrophobicContact CG2-CG 3.76Å; V403-F420 HydrophobicContact CG2-CZ 4.43Å; V403-V421 PolarHBondContact N-O 2.9Å; V403-V422 HydrophobicContact CB-CG1 4.49Å; V403-V422 WeakPolarHBondContact O-CA 3.47Å; V403-H423 PolarHBondContact O-N 3.2Å
404	F	98.8	Very high	97.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	104.2	173	-61.9	-89.8	0	0	0	109.2	F283 I287 R290 L291 A375 L376 V377 V378 F402 G406 H423	F283-F404 HydrophobicContact CZ-CB 3.86Å; I287-F404 HydrophobicContact CB-CD1 4.41Å; I287-F404 HydrophobicContact CB-CE1 4.33Å; I287-F404 HydrophobicContact CB-CE2 4.44Å; I287-F404 HydrophobicContact CB-CZ 4.35Å; I287-F404 HydrophobicContact CG1-CB 4.1Å; I287-F404 HydrophobicContact CG1-CD1 3.73Å; I287-F404 HydrophobicContact CG1-CD2 4.06Å; I287-F404 HydrophobicContact CG1-CE1 4.15Å; I287-F404 HydrophobicContact CG1-CE2 4.43Å; I287-F404 HydrophobicContact CG1-CG 3.69Å; I287-F404 HydrophobicContact CG1-CZ 4.48Å; I287-F404 HydrophobicContact CG2-CD2 4.17Å; I287-F404 HydrophobicContact CG2-CE2 3.95Å; I287-F404 HydrophobicContact CG2-CZ 4.23Å; R290-F404 HydrophobicContact CB-CE1 3.75Å; R290-F404 HydrophobicContact CB-CZ 3.69Å; R290-F404 HydrophobicContact CG-CE1 4.11Å; L291-F404 HydrophobicContact CD1-CE2 4.41Å; L291-F404 HydrophobicContact CD2-CE2 4.5Å; L291-F404 HydrophobicContact CG-CE2 4.24Å; L291-F404 HydrophobicContact CG-CZ 4.32Å; A375-F404 HydrophobicContact CB-CD2 4.16Å; A375-F404 HydrophobicContact CB-CE2 3.95Å; L376-F404 PolarHBondContact O-N 2.97Å; V377-F404 CarbonylContact C-O 3.5Å; V377-F404 WeakPolarHBondContact CA-O 3.39Å; V377-F404 HydrophobicContact CG1-CB 4.24Å; V377-F404 HydrophobicContact CG2-CB 4.24Å; V377-F404 HydrophobicContact CG2-CD2 4.24Å; V378-F404 PolarHBondContact N-O 3.04Å; F402-F404 HydrophobicContact CB-CD2 4.35Å; F402-F404 HydrophobicContact CB-CE2 3.64Å; F402-F404 HydrophobicContact CB-CZ 4.25Å; F402-F404 HydrophobicContact CD1-CE2 4.5Å; F402-F404 HydrophobicContact CD1-CZ 4.27Å; F402-F404 HydrophobicContact CG-CE2 4.37Å; F404-G406 PolarHBondContact O-N 3.03Å; F404-H423 CarbonylContact C-O 3.51Å; F404-H423 WeakPolarHBondContact CA-O 3.46Å; F404-H423 HydrophobicContact CD1-CB 3.68Å; F404-H423 HydrophobicContact CE1-CB 3.91Å; F404-H423 AromaticContact CE1-CD2 3.54Å; F404-H423 AromaticContact CE1-CG 3.9Å; F404-H423 AromaticContact CZ-CD2 4Å
405	D	98.6	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	98.2	-178.3	-176.9	-1	0	0	0	110.7	R407 L408 L409 L410 H412 H423 S424 I425	D405-R407 PolarHBondContact O-N 3.11Å; D405-R407 PolarHBondContact OD1-N 3.4Å; D405-L408 PolarHBondContact OD1-N 3.4Å; D405-L409 PolarHBondContact OD1-N 3.34Å; D405-L409 PolarHBondContact OD2-N 2.96Å; D405-L410 PolarHBondContact OD2-N 3.01Å; D405-H412 IonicContact OD2-CD2 3.4Å; D405-H412 IonicContact OD2-CE1 2.66Å; D405-H412 IonicContact OD2-NE2 3.34Å; D405-H412 PolarHBondContact OD2-NE2 3.49Å; D405-H423 PolarHBondContact N-O 3.32Å; D405-S424 VanDerWaalsContact O-CA 3.27Å; D405-S424 WeakPolarHBondContact O-CA 3.46Å; D405-S424 WeakPolarHBondContact O-CB 3.47Å; D405-S424 PolarHBondContact O-OG 3.32Å; D405-I425 PolarHBondContact O-N 3.06Å; D405-I425 VanDerWaalsContact O-N 3.15Å
406	G	98.3	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	4.1	179	0	0	0	0	0	114.7	S238 V239 V378 F404	S238-G406 CarbonylContact C-O 3.47Å; S238-G406 WeakPolarHBondContact CA-O 3.4Å; V239-G406 PolarHBondContact N-O 3.48Å; V378-G406 WeakPolarHBondContact O-CA 3.42Å; V378-G406 PolarHBondContact O-N 3.35Å; F404-G406 PolarHBondContact O-N 3.03Å
407	R	97.7	Very high	97.8	Very high	38 Å²	38	40.7 Å²	40.7	14%	0.143	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	2.5	-173.1	-66.3	-64.1	-174.4	158.8	9.1	114.2	F307 V378 L379 E381 D405 L409	F307-R407 PolarHBondContact O-NH2 3.16Å; F307-R407 VanDerWaalsContact O-NH2 3.14Å; V378-R407 HydrophobicContact CG1-CB 4.5Å; L379-R407 VanDerWaalsContact O-CZ 3.25Å; L379-R407 PolarHBondContact O-NE 3.15Å; L379-R407 PolarHBondContact O-NH2 2.94Å; E381-R407 HydrophobicContact CB-CB 4.2Å; E381-R407 HydrophobicContact CB-CG 4.22Å; E381-R407 IonicContact OE2-CZ 3.15Å; E381-R407 IonicContact OE2-NE 3.88Å; E381-R407 PolarHBondContact OE2-NE 2.93Å; E381-R407 IonicContact OE2-NH1 2.67Å; E381-R407 PolarHBondContact OE2-NH1 3.26Å; E381-R407 IonicContact OE2-NH2 3.32Å; D405-R407 PolarHBondContact O-N 3.11Å; D405-R407 PolarHBondContact OD1-N 3.4Å; R407-L409 HydrophobicContact CB-CB 4.15Å; R407-L409 PolarHBondContact O-N 3.43Å
408	L	96.4	Very high	97.7	Very high	25 Å²	25	41.8 Å²	41.8	13%	0.131	20%	0.202	C	C	.	.	S	Bend	trans	52.1	36.3	-173.9	-71.4	155.5	0	0	0	112	I217 R218 A237 D405 I425 V427	I217-L408 HydrophobicContact CG2-CD1 3.31Å; R218-L408 HydrophobicContact CG-CD1 4.13Å; A237-L408 HydrophobicContact CB-CD1 4.12Å; D405-L408 PolarHBondContact OD1-N 3.4Å; L408-I425 WeakPolarHBondContact CD1-O 3.43Å; L408-I425 WeakPolarHBondContact CD2-O 3.39Å; L408-I425 VanDerWaalsContact CG-O 3.23Å; L408-I425 WeakPolarHBondContact CG-O 3.45Å; L408-V427 HydrophobicContact CD2-CG1 3.91Å; L408-V427 HydrophobicContact CD2-CG2 3.92Å
409	L	96.8	Very high	97.7	Very high	23 Å²	23	38.9 Å²	38.9	12%	0.12	20%	0.195	C	C	.	.			trans	-86.2	-33.8	-168.8	-165.4	71.9	0	0	0	112.7	V378 E381 F385 K386 D405 R407	V378-L409 HydrophobicContact CG1-CB 4.44Å; V378-L409 HydrophobicContact CG1-CD2 3.87Å; E381-L409 HydrophobicContact CB-CD1 3.79Å; F385-L409 HydrophobicContact CB-CD2 3.79Å; F385-L409 HydrophobicContact CD2-CD2 4.21Å; K386-L409 HydrophobicContact CD-CD1 4.3Å; K386-L409 HydrophobicContact CG-CD1 4.12Å; K386-L409 HydrophobicContact CG-CD2 4.37Å; K386-L409 HydrophobicContact CG-CG 3.82Å; D405-L409 PolarHBondContact OD1-N 3.34Å; D405-L409 PolarHBondContact OD2-N 2.96Å; R407-L409 HydrophobicContact CB-CB 4.15Å; R407-L409 PolarHBondContact O-N 3.43Å
410	L	97.9	Very high	97.8	Very high	9 Å²	9	34.4 Å²	34.4	5%	0.047	18%	0.175	C	C	.	.	S	Bend	trans	-99.4	157.6	-164.2	-51.8	-172.8	0	0	0	112.7	V378 Y390 V403 D405 H412 L415	V378-L410 HydrophobicContact CG2-CD1 3.89Å; V378-L410 HydrophobicContact CG2-CG 4.38Å; Y390-L410 HydrophobicContact CE1-CD1 3.98Å; Y390-L410 HydrophobicContact CE2-CD2 4.28Å; Y390-L410 WeakPolarHBondContact OH-CD1 3.49Å; Y390-L410 WeakPolarHBondContact OH-CD2 3.34Å; V403-L410 HydrophobicContact CG1-CD1 3.95Å; D405-L410 PolarHBondContact OD2-N 3.01Å; L410-H412 PolarHBondContact O-CD2 2.71Å; L410-H412 PolarHBondContact O-N 3.38Å; L410-H412 PolarHBondContact O-NE2 3.36Å; L410-L415 HydrophobicContact CB-CD1 3.85Å; L410-L415 HydrophobicContact CD1-CD1 3.79Å
411	D	97.3	Very high	97.8	Very high	91 Å²	91	33 Å²	33	49%	0.487	17%	0.166	S	C	.	.			trans	-77.3	88.6	170.2	-178.8	-14.8	0	0	0	109.9	A413 K414 L415	D411-A413 VanDerWaalsContact C-N 3.3Å; D411-A413 PolarHBondContact O-N 3.22Å; D411-A413 PolarHBondContact OD1-N 3.27Å; D411-K414 HydrophobicContact CB-CB 3.94Å; D411-K414 PolarHBondContact O-N 3.01Å; D411-K414 WeakPolarHBondContact OD1-CB 3.32Å; D411-K414 PolarHBondContact OD1-N 3.26Å; D411-K414 VanDerWaalsContact OD2-CB 3.3Å; D411-K414 WeakPolarHBondContact OD2-CB 3.47Å; D411-L415 WeakPolarHBondContact O-CG 3.32Å; D411-L415 PolarHBondContact O-N 2.9Å
412	H	97.2	Very high	97.8	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.046	17%	0.168	C	C	.	.	H	α-helix	trans	-58.8	-39.1	-176.2	-54.9	141.5	0	0	0	112.9	D405 L410 K414 L415 Q416 V422 S424 L429	D405-H412 IonicContact OD2-CD2 3.4Å; D405-H412 IonicContact OD2-CE1 2.66Å; D405-H412 IonicContact OD2-NE2 3.34Å; D405-H412 PolarHBondContact OD2-NE2 3.49Å; L410-H412 PolarHBondContact O-CD2 2.71Å; L410-H412 PolarHBondContact O-N 3.38Å; L410-H412 PolarHBondContact O-NE2 3.36Å; H412-K414 PolarHBondContact O-N 2.89Å; H412-L415 PolarHBondContact O-N 3.33Å; H412-Q416 WeakPolarHBondContact O-CG 3.49Å; H412-Q416 PolarHBondContact O-N 3.33Å; H412-V422 HydrophobicContact CB-CG1 4.13Å; H412-S424 VanDerWaalsContact CE1-CB 3.47Å; H412-S424 WeakPolarHBondContact CE1-CB 3.17Å; H412-S424 PolarHBondContact CE1-OG 3.26Å; H412-S424 PolarHBondContact NE2-OG 3.16Å; H412-L429 HydrophobicContact CB-CD1 3.95Å; H412-L429 HydrophobicContact CB-CD2 4Å
413	A	96	Very high	97.8	Very high	46 Å²	46	33.8 Å²	33.8	38%	0.38	17%	0.17	S	C	.	.	H	α-helix	trans	-65.4	-40.7	179.2	0	0	0	0	0	111.4	D411 R417	D411-A413 VanDerWaalsContact C-N 3.3Å; D411-A413 PolarHBondContact O-N 3.22Å; D411-A413 PolarHBondContact OD1-N 3.27Å; A413-R417 WeakPolarHBondContact O-CG 3.47Å; A413-R417 PolarHBondContact O-N 3.48Å; A413-R417 VanDerWaalsContact O-N 3.07Å
414	K	97.6	Very high	97.7	Very high	103 Å²	103	34.2 Å²	34.2	45%	0.448	17%	0.173	S	C	.	.	H	α-helix	trans	-64.4	-41.2	173.5	-177.4	-178.7	177.8	-174.7	0	111.9	D411 H412 R417 I418	D411-K414 HydrophobicContact CB-CB 3.94Å; D411-K414 PolarHBondContact O-N 3.01Å; D411-K414 WeakPolarHBondContact OD1-CB 3.32Å; D411-K414 PolarHBondContact OD1-N 3.26Å; D411-K414 VanDerWaalsContact OD2-CB 3.3Å; D411-K414 WeakPolarHBondContact OD2-CB 3.47Å; H412-K414 PolarHBondContact O-N 2.89Å; K414-R417 PolarHBondContact O-N 3.37Å; K414-I418 HydrophobicContact CG-CD1 4.37Å; K414-I418 WeakPolarHBondContact O-CG1 3.48Å; K414-I418 PolarHBondContact O-N 2.91Å; K414-I418 VanDerWaalsContact O-N 3.16Å
415	L	98.5	Very high	97.6	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-44.2	177	-67.5	176.4	0	0	0	112.1	Y390 V403 L410 D411 H412 R417 I418 G419 F420 V422	Y390-L415 HydrophobicContact CD1-CD2 3.39Å; Y390-L415 HydrophobicContact CD2-CD2 4.16Å; Y390-L415 HydrophobicContact CE1-CD2 4.06Å; Y390-L415 HydrophobicContact CG-CD2 3.45Å; Y390-L415 VanDerWaalsContact CG-CD2 3.45Å; V403-L415 HydrophobicContact CB-CD1 4.47Å; V403-L415 HydrophobicContact CG1-CD1 4.05Å; V403-L415 HydrophobicContact CG2-CD1 4.47Å; L410-L415 HydrophobicContact CB-CD1 3.85Å; L410-L415 HydrophobicContact CD1-CD1 3.79Å; D411-L415 WeakPolarHBondContact O-CG 3.32Å; D411-L415 PolarHBondContact O-N 2.9Å; H412-L415 PolarHBondContact O-N 3.33Å; L415-R417 VanDerWaalsContact C-N 3.34Å; L415-R417 PolarHBondContact O-N 3.48Å; L415-I418 WeakPolarHBondContact O-CB 3.44Å; L415-I418 PolarHBondContact O-N 3.06Å; L415-I418 VanDerWaalsContact O-N 3.11Å; L415-G419 PolarHBondContact O-N 3.28Å; L415-F420 HydrophobicContact CB-CB 4.28Å; L415-F420 HydrophobicContact CB-CD2 4.04Å; L415-F420 HydrophobicContact CD2-CD2 3.77Å; L415-F420 HydrophobicContact CD2-CE2 3.84Å; L415-F420 HydrophobicContact CG-CD2 4.49Å; L415-F420 PolarHBondContact O-N 3.43Å; L415-F420 VanDerWaalsContact O-N 3.14Å; L415-V422 HydrophobicContact CB-CG2 3.66Å; L415-V422 HydrophobicContact CD1-CG1 4.45Å; L415-V422 HydrophobicContact CD1-CG2 4.4Å
416	Q	97.5	Very high	97.5	Very high	47 Å²	47	34.2 Å²	34.2	22%	0.22	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-40.5	176	-71.8	177.5	-40.8	0	0	111.9	H412 I418 G419 V422 N430 V432	H412-Q416 WeakPolarHBondContact O-CG 3.49Å; H412-Q416 PolarHBondContact O-N 3.33Å; Q416-I418 PolarHBondContact O-N 3.49Å; Q416-G419 PolarHBondContact O-N 3.43Å; Q416-V422 HydrophobicContact CG-CB 4.18Å; Q416-V422 HydrophobicContact CG-CG2 3.75Å; Q416-N430 PolarHBondContact NE2-O 3.21Å; Q416-V432 HydrophobicContact CB-CG2 4.33Å; Q416-V432 HydrophobicContact CG-CG2 4.25Å
417	R	97.7	Very high	97.5	Very high	189 Å²	189	34.7 Å²	34.7	71%	0.713	18%	0.176	S	C	*	.	H	α-helix	trans	-62.7	-28.1	173.9	-75.5	-172.2	-64.1	-107.6	-1.5	113.8	A413 K414 L415 G419	A413-R417 WeakPolarHBondContact O-CG 3.47Å; A413-R417 PolarHBondContact O-N 3.48Å; A413-R417 VanDerWaalsContact O-N 3.07Å; K414-R417 PolarHBondContact O-N 3.37Å; L415-R417 VanDerWaalsContact C-N 3.34Å; L415-R417 PolarHBondContact O-N 3.48Å; R417-G419 VanDerWaalsContact C-N 3.33Å
418	I	98.1	Very high	97.3	Very high	32 Å²	32	39.1 Å²	39.1	16%	0.164	20%	0.196	C	C	.	.	H	α-helix	trans	-74.7	-28	174.5	-67.3	166.1	0	0	0	110.8	K391 Y394 K414 L415 Q416 F420	K391-I418 HydrophobicContact CG-CD1 3.88Å; K391-I418 HydrophobicContact CG-CG1 3.97Å; K391-I418 HydrophobicContact CG-CG2 4.42Å; Y394-I418 HydrophobicContact CD1-CG2 3.92Å; Y394-I418 HydrophobicContact CD2-CG2 4.03Å; Y394-I418 HydrophobicContact CG-CG2 3.57Å; K414-I418 HydrophobicContact CG-CD1 4.37Å; K414-I418 WeakPolarHBondContact O-CG1 3.48Å; K414-I418 PolarHBondContact O-N 2.91Å; K414-I418 VanDerWaalsContact O-N 3.16Å; L415-I418 WeakPolarHBondContact O-CB 3.44Å; L415-I418 PolarHBondContact O-N 3.06Å; L415-I418 VanDerWaalsContact O-N 3.11Å; Q416-I418 PolarHBondContact O-N 3.49Å; I418-F420 HydrophobicContact CB-CD2 4.22Å; I418-F420 HydrophobicContact CB-CE2 4.45Å; I418-F420 HydrophobicContact CG2-CD2 4.11Å; I418-F420 HydrophobicContact CG2-CE2 3.98Å
419	G	97.8	Very high	97.2	Very high	27 Å²	27	40 Å²	40	28%	0.278	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	118.4	6.3	179.6	0	0	0	0	0	114.4	Y394 L415 Q416 R417	Y394-G419 WeakPolarHBondContact CE2-O 3.42Å; L415-G419 PolarHBondContact O-N 3.28Å; Q416-G419 PolarHBondContact O-N 3.43Å; R417-G419 VanDerWaalsContact C-N 3.33Å
420	F	98.5	Very high	96.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.			trans	-67.9	143.6	173.4	-70.9	-78.8	0	0	0	111.3	Y390 I393 Y394 M397 A401 V403 L415 I418 V422	Y390-F420 HydrophobicContact CD1-CE2 4.43Å; Y390-F420 WeakPolarHBondContact O-CE2 3.44Å; I393-F420 HydrophobicContact CG2-CZ 4.09Å; Y394-F420 VanDerWaalsContact CA-CZ 3.48Å; Y394-F420 VanDerWaalsContact CB-CZ 3.48Å; Y394-F420 AromaticContact CD2-CD1 3.8Å; Y394-F420 HydrophobicContact CD2-CD1 3.8Å; Y394-F420 AromaticContact CD2-CD2 3.9Å; Y394-F420 HydrophobicContact CD2-CD2 3.9Å; Y394-F420 AromaticContact CD2-CE1 3.76Å; Y394-F420 HydrophobicContact CD2-CE1 3.76Å; Y394-F420 AromaticContact CD2-CE2 3.85Å; Y394-F420 HydrophobicContact CD2-CE2 3.85Å; Y394-F420 AromaticContact CD2-CG 3.9Å; Y394-F420 HydrophobicContact CD2-CG 3.9Å; Y394-F420 AromaticContact CD2-CZ 3.8Å; Y394-F420 HydrophobicContact CD2-CZ 3.8Å; Y394-F420 HydrophobicContact CE2-CD1 4.45Å; Y394-F420 HydrophobicContact CE2-CG 4.45Å; Y394-F420 HydrophobicContact CG-CE1 4.49Å; Y394-F420 HydrophobicContact CG-CE2 4.18Å; Y394-F420 HydrophobicContact CG-CZ 4.15Å; M397-F420 HydrophobicContact SD-CE1 3.77Å; M397-F420 HydrophobicContact SD-CZ 4.48Å; A401-F420 HydrophobicContact CB-CD1 3.62Å; A401-F420 HydrophobicContact CB-CE1 3.79Å; A401-F420 WeakPolarHBondContact O-CA 3.34Å; V403-F420 HydrophobicContact CG2-CB 4.11Å; V403-F420 HydrophobicContact CG2-CD1 3.4Å; V403-F420 VanDerWaalsContact CG2-CD1 3.4Å; V403-F420 HydrophobicContact CG2-CD2 4.44Å; V403-F420 HydrophobicContact CG2-CE1 3.78Å; V403-F420 HydrophobicContact CG2-CG 3.76Å; V403-F420 HydrophobicContact CG2-CZ 4.43Å; L415-F420 HydrophobicContact CB-CB 4.28Å; L415-F420 HydrophobicContact CB-CD2 4.04Å; L415-F420 HydrophobicContact CD2-CD2 3.77Å; L415-F420 HydrophobicContact CD2-CE2 3.84Å; L415-F420 HydrophobicContact CG-CD2 4.49Å; L415-F420 PolarHBondContact O-N 3.43Å; L415-F420 VanDerWaalsContact O-N 3.14Å; I418-F420 HydrophobicContact CB-CD2 4.22Å; I418-F420 HydrophobicContact CB-CE2 4.45Å; I418-F420 HydrophobicContact CG2-CD2 4.11Å; I418-F420 HydrophobicContact CG2-CE2 3.98Å; F420-V422 HydrophobicContact CB-CG2 3.81Å
421	V	98.1	Very high	94.8	Very high	38 Å²	38	49.3 Å²	49.3	23%	0.23	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.3	161.5	-176.1	0	0	0	0	107.3	P400 A401 F402 V403	P400-V421 HydrophobicContact CB-CG2 4.35Å; A401-V421 PolarHBondContact O-N 3.24Å; F402-V421 CarbonylContact C-O 3.47Å; F402-V421 VanDerWaalsContact CA-O 3.32Å; F402-V421 WeakPolarHBondContact CA-O 3.01Å; F402-V421 HydrophobicContact CD1-CB 3.62Å; F402-V421 HydrophobicContact CD1-CG1 3.68Å; F402-V421 HydrophobicContact CD1-CG2 4.49Å; F402-V421 HydrophobicContact CE1-CB 3.72Å; F402-V421 HydrophobicContact CE1-CG1 3.54Å; F402-V421 HydrophobicContact CE1-CG2 4.23Å; F402-V421 HydrophobicContact CG-CB 4.25Å; F402-V421 HydrophobicContact CZ-CB 4.44Å; V403-V421 PolarHBondContact N-O 2.9Å
422	V	98.3	Very high	92.8	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.6	-168.8	-169.7	0	0	0	0	110.6	V403 H412 L415 Q416 F420 L429	V403-V422 HydrophobicContact CB-CG1 4.49Å; V403-V422 WeakPolarHBondContact O-CA 3.47Å; H412-V422 HydrophobicContact CB-CG1 4.13Å; L415-V422 HydrophobicContact CB-CG2 3.66Å; L415-V422 HydrophobicContact CD1-CG1 4.45Å; L415-V422 HydrophobicContact CD1-CG2 4.4Å; Q416-V422 HydrophobicContact CG-CB 4.18Å; Q416-V422 HydrophobicContact CG-CG2 3.75Å; F420-V422 HydrophobicContact CB-CG2 3.81Å; V422-L429 HydrophobicContact CB-CD1 3.88Å; V422-L429 HydrophobicContact CG1-CD1 3.55Å; V422-L429 WeakPolarHBondContact O-CD1 3.37Å
423	H	97.3	Very high	90.3	Very high	22 Å²	22	51.4 Å²	51.4	10%	0.102	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.5	169.4	-61.4	-77.3	0	0	0	109	R290 V403 F404 D405	R290-H423 VanDerWaalsContact CD-CE1 3.42Å; R290-H423 WeakPolarHBondContact CD-CE1 3.37Å; V403-H423 PolarHBondContact O-N 3.2Å; F404-H423 CarbonylContact C-O 3.51Å; F404-H423 WeakPolarHBondContact CA-O 3.46Å; F404-H423 HydrophobicContact CD1-CB 3.68Å; F404-H423 HydrophobicContact CE1-CB 3.91Å; F404-H423 AromaticContact CE1-CD2 3.54Å; F404-H423 AromaticContact CE1-CG 3.9Å; F404-H423 AromaticContact CZ-CD2 4Å; D405-H423 PolarHBondContact N-O 3.32Å
424	S	97.2	Very high	87.7	Confident	8 Å²	8	52.8 Å²	52.8	6%	0.056	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	153.5	178.1	-170.3	0	0	0	0	111	D405 H412	D405-S424 VanDerWaalsContact O-CA 3.27Å; D405-S424 WeakPolarHBondContact O-CA 3.46Å; D405-S424 WeakPolarHBondContact O-CB 3.47Å; D405-S424 PolarHBondContact O-OG 3.32Å; H412-S424 VanDerWaalsContact CE1-CB 3.47Å; H412-S424 WeakPolarHBondContact CE1-CB 3.17Å; H412-S424 PolarHBondContact CE1-OG 3.26Å; H412-S424 PolarHBondContact NE2-OG 3.16Å
425	I	96.7	Very high	84.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	139.9	172.9	-72.8	179.8	0	0	0	109.7	E211 A237 S238 V239 F283 D405 L408 V427	E211-I425 WeakPolarHBondContact OE1-CA 3.34Å; A237-I425 HydrophobicContact CB-CG2 4.18Å; S238-I425 VanDerWaalsContact C-CD1 3.41Å; S238-I425 WeakPolarHBondContact O-CD1 3.15Å; V239-I425 HydrophobicContact CB-CD1 4.17Å; V239-I425 HydrophobicContact CG1-CD1 3.54Å; V239-I425 VanDerWaalsContact N-CD1 3.33Å; F283-I425 HydrophobicContact CD2-CD1 3.57Å; F283-I425 HydrophobicContact CD2-CG1 3.49Å; F283-I425 VanDerWaalsContact CD2-CG1 3.49Å; F283-I425 HydrophobicContact CE2-CD1 3.96Å; F283-I425 HydrophobicContact CE2-CG1 3.7Å; F283-I425 HydrophobicContact CG-CD1 4.2Å; D405-I425 PolarHBondContact O-N 3.06Å; D405-I425 VanDerWaalsContact O-N 3.15Å; L408-I425 WeakPolarHBondContact CD1-O 3.43Å; L408-I425 WeakPolarHBondContact CD2-O 3.39Å; L408-I425 VanDerWaalsContact CG-O 3.23Å; L408-I425 WeakPolarHBondContact CG-O 3.45Å; I425-V427 VanDerWaalsContact C-N 3.29Å; I425-V427 PolarHBondContact O-N 2.91Å
426	G	97.5	Very high	81.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	7.7	168.8	0	0	0	0	0	117.2	S207 C210 E211 I217	S207-G426 WeakPolarHBondContact O-CA 3.25Å; C210-G426 WeakPolarHBondContact CB-O 3.45Å; E211-G426 PolarHBondContact OE1-N 3.02Å; I217-G426 WeakPolarHBondContact CB-O 3.45Å; I217-G426 WeakPolarHBondContact CG2-O 3.43Å; I217-G426 PolarHBondContact N-O 3.19Å
427	V	97.3	Very high	78.5	Confident	11 Å²	11	62.5 Å²	62.5	7%	0.067	36%	0.358	C	S	.	.			trans	-142.2	143.9	175.1	-68.5	0	0	0	0	110.9	D216 L408 I425 L429	D216-V427 HydrophobicContact CB-CG1 4.11Å; D216-V427 VanDerWaalsContact CG-CG1 3.4Å; D216-V427 WeakPolarHBondContact OD1-CG1 3.42Å; D216-V427 WeakPolarHBondContact OD2-CG1 3.44Å; L408-V427 HydrophobicContact CD2-CG1 3.91Å; L408-V427 HydrophobicContact CD2-CG2 3.92Å; I425-V427 VanDerWaalsContact C-N 3.29Å; I425-V427 PolarHBondContact O-N 2.91Å; V427-L429 HydrophobicContact CG2-CD2 4.09Å; V427-L429 HydrophobicContact CG2-CG 4.11Å
428	K	94.7	Very high	75.3	Confident	131 Å²	131	59.1 Å²	59.1	57%	0.57	36%	0.359	S	S	*	.			trans	-93.5	112.2	168.5	-171.5	173.7	-176.8	174.8	0	109.8	T213	T213-K428 WeakPolarHBondContact O-CB 3.41Å; T213-K428 WeakPolarHBondContact O-CD 3.34Å
429	L	92.4	Very high	72	Confident	42 Å²	42	61.8 Å²	61.8	22%	0.22	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-95.1	139	177.3	-60.3	176.1	0	0	0	110	H412 V422 V427 E431	H412-L429 HydrophobicContact CB-CD1 3.95Å; H412-L429 HydrophobicContact CB-CD2 4Å; V422-L429 HydrophobicContact CB-CD1 3.88Å; V422-L429 HydrophobicContact CG1-CD1 3.55Å; V422-L429 WeakPolarHBondContact O-CD1 3.37Å; V427-L429 HydrophobicContact CG2-CD2 4.09Å; V427-L429 HydrophobicContact CG2-CG 4.11Å; L429-E431 PolarHBondContact O-N 2.91Å
430	N	79	Confident	68.7	Low	112 Å²	112	65.7 Å²	65.7	60%	0.599	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-65.7	129.9	175.6	-70	-20	0	0	0	109.9	Q416 V432	Q416-N430 PolarHBondContact NE2-O 3.21Å; N430-V432 PolarHBondContact O-N 3.48Å
431	E	65.9	Low	65.5	Low	117 Å²	117	70.9 Å²	70.9	55%	0.547	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-65.3	134.1	172.4	-67	-176.9	179.1	0	0	109.3	R290 L429 G433 A434	R290-E431 IonicContact CZ-OE1 3.66Å; R290-E431 IonicContact NH1-OE1 2.82Å; R290-E431 PolarHBondContact NH1-OE1 3.21Å; L429-E431 PolarHBondContact O-N 2.91Å; E431-G433 VanDerWaalsContact C-N 3.26Å; E431-G433 PolarHBondContact O-N 2.7Å; E431-A434 PolarHBondContact O-N 3.12Å; E431-A434 VanDerWaalsContact O-N 3.12Å
432	V	55.8	Low	62.1	Low	94 Å²	94	73.8 Å²	73.8	57%	0.57	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	88.4	179.3	-173.8	0	0	0	0	107.8	Q416 N430	Q416-V432 HydrophobicContact CB-CG2 4.33Å; Q416-V432 HydrophobicContact CG-CG2 4.25Å; N430-V432 PolarHBondContact O-N 3.48Å
433	G	45.3	Very low	58.8	Low	51 Å²	51	81.1 Å²	81.1	53%	0.526	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	164	-30.8	-172.8	0	0	0	0	0	112.6	E431 L435 N436	E431-G433 VanDerWaalsContact C-N 3.26Å; E431-G433 PolarHBondContact O-N 2.7Å; G433-L435 PolarHBondContact O-N 3Å; G433-N436 PolarHBondContact O-N 2.95Å
434	A	39.9	Very low	55.4	Low	75 Å²	75	85.7 Å²	85.7	62%	0.62	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.1	177.8	0	0	0	0	0	114.1	E431 N436	E431-A434 PolarHBondContact O-N 3.12Å; E431-A434 VanDerWaalsContact O-N 3.12Å; A434-N436 VanDerWaalsContact C-N 3.33Å
435	L	35.8	Very low	52.1	Low	156 Å²	156	93.2 Å²	93.2	82%	0.817	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-7.2	172.9	-72.4	172.9	0	0	0	113.7	G433 G437	G433-L435 PolarHBondContact O-N 3Å; L435-G437 PolarHBondContact O-N 3.1Å
436	N	35.5	Very low	48.8	Very low	134 Å²	134	95.9 Å²	95.9	72%	0.717	59%	0.589	S	S	*	*			trans	-91.3	42.1	164.9	-73.8	-1.5	0	0	0	110.8	G433 A434 T438	G433-N436 PolarHBondContact O-N 2.95Å; A434-N436 VanDerWaalsContact C-N 3.33Å; N436-T438 PolarHBondContact O-N 3.19Å; N436-T438 PolarHBondContact O-OG1 2.96Å
437	G	29.5	Very low	45.7	Very low	67 Å²	67	104.3 Å²	104.3	69%	0.691	63%	0.628	S	S	*	*			trans	-65.5	53.9	154.1	0	0	0	0	0	110.6	L435 A439	L435-G437 PolarHBondContact O-N 3.1Å; G437-A439 PolarHBondContact O-N 3.08Å; G437-A439 VanDerWaalsContact O-N 3.09Å
438	T	30.1	Very low	42.7	Very low	118 Å²	118	109.9 Å²	109.9	72%	0.724	66%	0.658	S	S	*	*			trans	-61.5	104	142.5	48.8	0	0	0	0	103.9	N436 D440	N436-T438 PolarHBondContact O-N 3.19Å; N436-T438 PolarHBondContact O-OG1 2.96Å; T438-D440 PolarHBondContact O-N 3.47Å
439	A	29.1	Very low	39.7	Very low	88 Å²	88	111.8 Å²	111.8	73%	0.727	67%	0.674	S	S	*	*			trans	-41	108.9	163.7	0	0	0	0	0	107.3	G437 P441	G437-A439 PolarHBondContact O-N 3.08Å; G437-A439 VanDerWaalsContact O-N 3.09Å; A439-P441 WeakPolarHBondContact O-CD 3.47Å
440	D	29.7	Very low	37.2	Very low	109 Å²	109	116 Å²	116	58%	0.583	70%	0.701	S	S	*	*			trans	-66.5	111.2	170.4	-177.2	1.2	0	0	0	105.9	T438 C442	T438-D440 PolarHBondContact O-N 3.47Å; D440-C442 PolarHBondContact O-N 3.36Å; D440-C442 VanDerWaalsContact OD1-CB 3.26Å; D440-C442 WeakPolarHBondContact OD1-CB 3.06Å; D440-C442 PolarHBondContact OD1-N 3.44Å; D440-C442 VanDerWaalsContact OD1-N 3.1Å; D440-C442 PolarHBondContact OD1-SG 2.67Å
441	P	29.6	Very low	35.2	Very low	108 Å²	108	121.8 Å²	121.8	70%	0.701	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	1	-179.3	-11.6	29.3	0	0	0	112.2	A439 L443	A439-P441 WeakPolarHBondContact O-CD 3.47Å; P441-L443 PolarHBondContact O-N 3.37Å
442	C	28	Very low	33.7	Very low	99 Å²	99	122.1 Å²	122.1	67%	0.669	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	3	-171.8	-57.4	0	0	0	0	115.1	D440	D440-C442 PolarHBondContact O-N 3.36Å; D440-C442 VanDerWaalsContact OD1-CB 3.26Å; D440-C442 WeakPolarHBondContact OD1-CB 3.06Å; D440-C442 PolarHBondContact OD1-N 3.44Å; D440-C442 VanDerWaalsContact OD1-N 3.1Å; D440-C442 PolarHBondContact OD1-SG 2.67Å
443	L	27.6	Very low	32.5	Very low	162 Å²	162	123.5 Å²	123.5	85%	0.848	75%	0.751	S	S	*	*			trans	-106.3	50.1	169.4	-63.3	178.1	0	0	0	111.6	P441	P441-L443 PolarHBondContact O-N 3.37Å
444	V	26.6	Very low	31.8	Very low	117 Å²	117	127.6 Å²	127.6	71%	0.709	76%	0.763	S	S	*	*			trans	-116.8	78	158.9	-172.9	0	0	0	0	106.3
445	N	29.1	Very low	31.3	Very low	166 Å²	166	130.6 Å²	130.6	89%	0.888	77%	0.772	S	S	*	*			trans	-164.9	118.4	160.7	-92.7	-32.9	0	0	0	110.8
446	G	27.4	Very low	31	Very low	57 Å²	57	129.1 Å²	129.1	59%	0.588	77%	0.769	S	S	*	*			trans	104.7	112.5	135	0	0	0	0	0	115.8
447	H	31.8	Very low	30.7	Very low	177 Å²	177	128.7 Å²	128.7	82%	0.819	77%	0.772	S	S	*	*			trans	80.9	143.9	146.6	-54.6	-69.3	0	0	0	117.6
448	D	34.5	Very low	30.8	Very low	127 Å²	127	133.1 Å²	133.1	68%	0.679	78%	0.778	S	S	*	*			cis	-161.7	140.2	-36.5	-106.5	-31.8	0	0	0	100.8	V450	D448-V450 PolarHBondContact O-N 2.84Å
449	N	31.5	Very low	30.9	Very low	172 Å²	172	134.3 Å²	134.3	92%	0.92	78%	0.782	S	S	*	*			trans	-58.6	116.3	168.2	-75.9	-37.2	0	0	0	107.8
450	V	39.5	Very low	31	Very low	130 Å²	130	138.2 Å²	138.2	79%	0.788	79%	0.787	S	S	*	*			trans	-115	102.4	159.1	-173.7	0	0	0	0	105.3	D448	D448-V450 PolarHBondContact O-N 2.84Å
451	D	37.2	Very low	31.2	Very low	234 Å²	234	140.8 Å²	140.8	100%	1.251	81%	0.805	S	S	*	*			trans	22.8	0	160.4	-64.9	-30	0	0	0	120.6

Retrieved 451 of 451 residues in 290.7 ms (Link to these results)

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