X2JEW0_DROME Loading...

Serine/threonine-protein

AlphaFold DB (Q961E7), UniProt , Accession X2JEW0, Species DROME (Drosophila melanogaster, Fruit fly), Gene PhKgamma, Length 419 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	45	Very low	248 Å²	248	131.5 Å²	131.5	100%	1.222	68%	0.68	S	S	*	*				0	52	0	-72.5	176.5	123.3	0	0	110.6
2	A	35.3	Very low	46.7	Very low	95 Å²	95	129.6 Å²	129.6	79%	0.785	67%	0.671	S	S	*	*			trans	-165.3	38.9	178.1	0	0	0	0	0	111.2
3	K	32.4	Very low	47.8	Very low	184 Å²	184	131.2 Å²	131.2	80%	0.8	67%	0.67	S	S	*	*	S	Bend	trans	-133.6	1.1	178.5	-116.6	-171.5	179.4	-170.9	0	114.4
4	D	37.7	Very low	48.6	Very low	147 Å²	147	129.6 Å²	129.6	79%	0.786	66%	0.664	S	S	*	*	S	Bend	trans	-105.1	-2.7	-176.5	-60.7	-35.5	0	0	0	113.2
5	E	37.9	Very low	49.4	Very low	182 Å²	182	123.5 Å²	123.5	85%	0.85	64%	0.641	S	S	*	*	S	Bend	trans	-93.4	-13.4	-179.4	-72.7	-175	169.1	0	0	113.9
6	E	39.6	Very low	51	Low	171 Å²	171	116.3 Å²	116.3	80%	0.799	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-11.2	-175	-119.5	172.7	179.5	0	0	114
7	D	44.1	Very low	52.6	Low	116 Å²	116	117.1 Å²	117.1	62%	0.62	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	18.1	-176.6	-97.1	-4.6	0	0	0	113.3	L9 R31	D7-L9 PolarHBondContact O-N 3.19Å; D7-R31 PolarHBondContact O-NH2 3.44Å
8	D	50.1	Low	54.5	Low	72 Å²	72	112.7 Å²	112.7	39%	0.385	59%	0.591	S	S	.	*			trans	-91.6	46.4	172.2	-158.1	24.9	0	0	0	111.7	L10 R38	D8-L10 VanDerWaalsContact C-N 3.32Å; D8-L10 PolarHBondContact O-N 3.31Å; D8-R38 IonicContact OD1-CZ 3.02Å; D8-R38 VanDerWaalsContact OD1-CZ 3.31Å; D8-R38 IonicContact OD1-NH1 3.54Å; D8-R38 PolarHBondContact OD1-NH1 3.02Å; D8-R38 IonicContact OD1-NH2 3.74Å; D8-R38 PolarHBondContact OD1-NH2 3.2Å; D8-R38 IonicContact OD2-CZ 2.99Å; D8-R38 IonicContact OD2-NH1 2.84Å; D8-R38 IonicContact OD2-NH2 2.71Å; D8-R38 PolarHBondContact OD2-NH2 3.13Å
9	L	56.5	Low	56.4	Low	152 Å²	152	106.9 Å²	106.9	80%	0.796	56%	0.56	S	S	*	*			trans	-70.5	89.3	176.6	-77.2	158.6	0	0	0	109.5	D7	D7-L9 PolarHBondContact O-N 3.19Å
10	L	61.1	Low	58.1	Low	65 Å²	65	103 Å²	103	34%	0.34	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-58.8	138.2	163.6	-83.8	168.1	0	0	0	109.2	D8 D12 P25 R38	D8-L10 VanDerWaalsContact C-N 3.32Å; D8-L10 PolarHBondContact O-N 3.31Å; L10-D12 PolarHBondContact O-N 2.98Å; L10-P25 HydrophobicContact CD1-CG 4.36Å; L10-P25 HydrophobicContact CD2-CB 4.28Å; L10-P25 HydrophobicContact CD2-CG 4.21Å; L10-R38 VanDerWaalsContact CG-NH1 3.29Å
11	P	63.5	Low	59.7	Low	14 Å²	14	101.6 Å²	101.6	9%	0.091	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-53.2	139.8	170.8	-25.7	35	0	0	0	110.3	K13 Y20 I53 F102 F104	P11-K13 PolarHBondContact O-N 3.48Å; P11-Y20 WeakPolarHBondContact O-CE2 3.26Å; P11-Y20 PolarHBondContact O-OH 3.47Å; P11-I53 HydrophobicContact CG-CG2 4.03Å; P11-F102 HydrophobicContact CB-CD1 4.47Å; P11-F102 HydrophobicContact CB-CD2 3.75Å; P11-F102 HydrophobicContact CB-CE1 4.45Å; P11-F102 HydrophobicContact CB-CE2 3.73Å; P11-F102 HydrophobicContact CB-CG 4.15Å; P11-F102 HydrophobicContact CB-CZ 4.1Å; P11-F102 HydrophobicContact CG-CD1 3.95Å; P11-F102 HydrophobicContact CG-CD2 4.14Å; P11-F102 HydrophobicContact CG-CE1 3.96Å; P11-F102 HydrophobicContact CG-CE2 4.15Å; P11-F102 HydrophobicContact CG-CG 4.05Å; P11-F102 HydrophobicContact CG-CZ 4.06Å; P11-F104 HydrophobicContact CB-CZ 4.05Å; P11-F104 HydrophobicContact CG-CE1 4.32Å; P11-F104 HydrophobicContact CG-CZ 3.8Å
12	D	65.1	Low	62.5	Low	109 Å²	109	92.9 Å²	92.9	58%	0.583	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-51	140.4	-178.7	-163.3	-15.8	0	0	0	110.6	L10 D14 A15 A16	L10-D12 PolarHBondContact O-N 2.98Å; D12-D14 PolarHBondContact O-N 2.86Å; D12-D14 VanDerWaalsContact O-N 3.09Å; D12-D14 PolarHBondContact OD1-N 2.7Å; D12-A15 HydrophobicContact CB-CB 4.43Å; D12-A15 WeakPolarHBondContact O-CB 3.29Å; D12-A15 PolarHBondContact O-N 2.96Å; D12-A16 PolarHBondContact O-N 3.33Å
13	K	61.8	Low	65.4	Low	150 Å²	150	88.3 Å²	88.3	65%	0.652	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-29	179.9	-76.4	-178.2	178.8	174.5	0	111.6	P11 K17 Y20	P11-K13 PolarHBondContact O-N 3.48Å; K13-K17 VanDerWaalsContact O-CG 3.25Å; K13-K17 WeakPolarHBondContact O-CG 3.25Å; K13-K17 PolarHBondContact O-N 2.77Å; K13-Y20 HydrophobicContact CB-CD2 4.43Å; K13-Y20 HydrophobicContact CG-CD2 4.23Å; K13-Y20 HydrophobicContact CG-CE2 4.32Å; K13-Y20 HydrophobicContact CG-CG 4.45Å
14	D	58.8	Low	68.4	Low	110 Å²	110	83.8 Å²	83.8	59%	0.588	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.8	175.7	-79.8	-45.6	0	0	0	113.5	D12 K17	D12-D14 PolarHBondContact O-N 2.86Å; D12-D14 VanDerWaalsContact O-N 3.09Å; D12-D14 PolarHBondContact OD1-N 2.7Å; D14-K17 WeakPolarHBondContact OD1-CE 3.4Å; D14-K17 IonicContact OD1-NZ 3.34Å; D14-K17 PolarHBondContact OD1-NZ 2.95Å
15	A	60.3	Low	71	Confident	38 Å²	38	78 Å²	78	31%	0.314	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-15.9	179.4	0	0	0	0	0	113.8	D12 S99	D12-A15 HydrophobicContact CB-CB 4.43Å; D12-A15 WeakPolarHBondContact O-CB 3.29Å; D12-A15 PolarHBondContact O-N 2.96Å; A15-S99 WeakPolarHBondContact O-CB 3.41Å; A15-S99 PolarHBondContact O-OG 3.36Å
16	A	74.4	Confident	73.7	Confident	7 Å²	7	72 Å²	72	6%	0.058	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	40.7	-177.3	0	0	0	0	0	113.8	D12 G18 F19 Y20 F104	D12-A16 PolarHBondContact O-N 3.33Å; A16-G18 VanDerWaalsContact C-N 3.26Å; A16-G18 PolarHBondContact O-N 3.4Å; A16-G18 VanDerWaalsContact O-N 3.14Å; A16-F19 HydrophobicContact CB-CB 4.48Å; A16-F19 PolarHBondContact O-N 3.48Å; A16-F19 VanDerWaalsContact O-N 3.11Å; A16-Y20 HydrophobicContact CB-CD2 3.94Å; A16-Y20 HydrophobicContact CB-CE2 3.77Å; A16-Y20 VanDerWaalsContact O-CD2 3.22Å; A16-Y20 WeakPolarHBondContact O-CD2 3.49Å; A16-Y20 PolarHBondContact O-N 2.71Å; A16-Y20 VanDerWaalsContact O-N 3.16Å; A16-F104 HydrophobicContact CB-CD2 4.27Å; A16-F104 HydrophobicContact CB-CE1 4.26Å; A16-F104 HydrophobicContact CB-CE2 3.32Å; A16-F104 HydrophobicContact CB-CZ 3.31Å
17	K	79.3	Confident	76.3	Confident	130 Å²	130	68.3 Å²	68.3	57%	0.565	37%	0.365	S	S	*	.	H	α-helix	trans	-49.1	-42.8	-176.5	-72	-176.6	-175.4	-177.1	0	113.9	K13 D14 Y20 A21	K13-K17 VanDerWaalsContact O-CG 3.25Å; K13-K17 WeakPolarHBondContact O-CG 3.25Å; K13-K17 PolarHBondContact O-N 2.77Å; D14-K17 WeakPolarHBondContact OD1-CE 3.4Å; D14-K17 IonicContact OD1-NZ 3.34Å; D14-K17 PolarHBondContact OD1-NZ 2.95Å; K17-Y20 PolarHBondContact O-N 3.27Å; K17-A21 VanDerWaalsContact O-CB 3.28Å; K17-A21 WeakPolarHBondContact O-CB 3.44Å; K17-A21 PolarHBondContact O-N 3.44Å
18	G	86.1	Confident	78.6	Confident	39 Å²	39	65.2 Å²	65.2	40%	0.402	35%	0.348	S	S	.	.	H	α-helix	trans	-62.1	-45.4	-179	0	0	0	0	0	113.1	A16 A21 K22 F97	A16-G18 VanDerWaalsContact C-N 3.26Å; A16-G18 PolarHBondContact O-N 3.4Å; A16-G18 VanDerWaalsContact O-N 3.14Å; G18-A21 PolarHBondContact O-N 3.26Å; G18-K22 PolarHBondContact O-N 3.28Å; G18-F97 VanDerWaalsContact C-CE1 3.48Å; G18-F97 WeakPolarHBondContact O-CE1 2.9Å
19	F	91.3	Very high	80.4	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.009	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-51.7	177.2	173.4	-99.1	0	0	0	110.8	A16 A21 K22 Y23 P25 C40 A51 F97 F104 V106	A16-F19 HydrophobicContact CB-CB 4.48Å; A16-F19 PolarHBondContact O-N 3.48Å; A16-F19 VanDerWaalsContact O-N 3.11Å; F19-A21 PolarHBondContact O-N 3.3Å; F19-K22 PolarHBondContact O-N 2.87Å; F19-K22 VanDerWaalsContact O-N 3.16Å; F19-Y23 HydrophobicContact CD2-CD2 4.11Å; F19-Y23 HydrophobicContact CD2-CG 4.41Å; F19-Y23 HydrophobicContact CE2-CD2 4.2Å; F19-Y23 HydrophobicContact CE2-CG 4.1Å; F19-Y23 PolarHBondContact O-N 3.29Å; F19-P25 HydrophobicContact CE1-CB 4.2Å; F19-P25 HydrophobicContact CE1-CG 4.29Å; F19-P25 HydrophobicContact CZ-CB 4.46Å; F19-C40 HydrophobicContact CZ-CB 4.17Å; F19-A51 HydrophobicContact CE2-CB 3.72Å; F19-A51 HydrophobicContact CZ-CB 3.87Å; F19-F97 HydrophobicContact CB-CB 4.32Å; F19-F97 HydrophobicContact CB-CD2 3.9Å; F19-F97 HydrophobicContact CB-CE2 4.36Å; F19-F97 HydrophobicContact CB-CG 3.98Å; F19-F97 AromaticContact CD2-CD2 3.94Å; F19-F97 HydrophobicContact CD2-CD2 3.94Å; F19-F97 HydrophobicContact CD2-CE2 4.05Å; F19-F97 HydrophobicContact CG-CD2 4.44Å; F19-F104 HydrophobicContact CB-CD1 4.22Å; F19-F104 HydrophobicContact CB-CG 4.25Å; F19-F104 AromaticContact CD1-CD1 3.94Å; F19-F104 HydrophobicContact CD1-CD1 3.94Å; F19-F104 AromaticContact CD1-CE1 3.94Å; F19-F104 HydrophobicContact CD1-CE1 3.94Å; F19-F104 HydrophobicContact CD2-CB 4.22Å; F19-F104 AromaticContact CD2-CD1 3.93Å; F19-F104 HydrophobicContact CD2-CD1 3.93Å; F19-F104 HydrophobicContact CD2-CG 4.3Å; F19-F104 HydrophobicContact CE1-CD1 4.29Å; F19-F104 HydrophobicContact CE1-CE1 4.33Å; F19-F104 HydrophobicContact CE2-CD1 4.28Å; F19-F104 AromaticContact CG-CD1 3.74Å; F19-F104 HydrophobicContact CG-CD1 3.74Å; F19-F104 HydrophobicContact CG-CE1 4.15Å; F19-F104 HydrophobicContact CG-CG 4.19Å; F19-F104 HydrophobicContact CZ-CD1 4.45Å; F19-V106 HydrophobicContact CD2-CG2 4.26Å; F19-V106 HydrophobicContact CE2-CG2 4.13Å
20	Y	90.3	Very high	81.7	Confident	29 Å²	29	60 Å²	60	11%	0.114	33%	0.327	C	S	.	.	H	α-helix	trans	-66.9	-21.6	-179	-69.3	-68.2	0	0	0	113.7	P11 K13 A16 K17 P25 K43	P11-Y20 WeakPolarHBondContact O-CE2 3.26Å; P11-Y20 PolarHBondContact O-OH 3.47Å; K13-Y20 HydrophobicContact CB-CD2 4.43Å; K13-Y20 HydrophobicContact CG-CD2 4.23Å; K13-Y20 HydrophobicContact CG-CE2 4.32Å; K13-Y20 HydrophobicContact CG-CG 4.45Å; A16-Y20 HydrophobicContact CB-CD2 3.94Å; A16-Y20 HydrophobicContact CB-CE2 3.77Å; A16-Y20 VanDerWaalsContact O-CD2 3.22Å; A16-Y20 WeakPolarHBondContact O-CD2 3.49Å; A16-Y20 PolarHBondContact O-N 2.71Å; A16-Y20 VanDerWaalsContact O-N 3.16Å; K17-Y20 PolarHBondContact O-N 3.27Å; Y20-P25 HydrophobicContact CD1-CG 4.32Å; Y20-P25 HydrophobicContact CE1-CG 3.86Å; Y20-K43 PolarHBondContact O-NZ 2.92Å
21	A	91.6	Very high	82.6	Confident	73 Å²	73	63.7 Å²	63.7	60%	0.603	34%	0.336	S	S	*	.	H	α-helix	trans	-68.5	-41.6	173.7	0	0	0	0	0	111.4	K17 G18 F19	K17-A21 VanDerWaalsContact O-CB 3.28Å; K17-A21 WeakPolarHBondContact O-CB 3.44Å; K17-A21 PolarHBondContact O-N 3.44Å; G18-A21 PolarHBondContact O-N 3.26Å; F19-A21 PolarHBondContact O-N 3.3Å
22	K	95.2	Very high	83	Confident	65 Å²	65	65.2 Å²	65.2	28%	0.283	36%	0.355	S	S	.	.	H	α-helix	trans	-95.1	-35.2	-174.3	-172.1	171.9	178.9	-172.8	0	114	G18 F19 E42 K43 D95 F97	G18-K22 PolarHBondContact O-N 3.28Å; F19-K22 PolarHBondContact O-N 2.87Å; F19-K22 VanDerWaalsContact O-N 3.16Å; K22-E42 WeakPolarHBondContact CE-OE1 3.44Å; K22-E42 HydrophobicContact CG-CG 4.49Å; K22-E42 IonicContact NZ-OE1 3.17Å; K22-E42 PolarHBondContact NZ-OE1 3.05Å; K22-K43 WeakPolarHBondContact O-CG 3.38Å; K22-K43 PolarHBondContact O-N 3.43Å; K22-D95 WeakPolarHBondContact CE-OD2 3.49Å; K22-D95 IonicContact NZ-OD1 3.36Å; K22-D95 IonicContact NZ-OD2 2.8Å; K22-D95 PolarHBondContact NZ-OD2 3.34Å; K22-F97 HydrophobicContact CB-CZ 4.44Å; K22-F97 HydrophobicContact CD-CZ 4.4Å
23	Y	96.5	Very high	83.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.1	-172.2	-68	-81.1	0	0	0	112.4	F19 C40 I41 E42 F49 D95 F97 V106	F19-Y23 HydrophobicContact CD2-CD2 4.11Å; F19-Y23 HydrophobicContact CD2-CG 4.41Å; F19-Y23 HydrophobicContact CE2-CD2 4.2Å; F19-Y23 HydrophobicContact CE2-CG 4.1Å; F19-Y23 PolarHBondContact O-N 3.29Å; Y23-C40 HydrophobicContact CD1-CB 4.48Å; Y23-I41 CarbonylContact C-O 3.41Å; Y23-I41 WeakPolarHBondContact CA-O 3.49Å; Y23-E42 HydrophobicContact CD1-CB 4.05Å; Y23-E42 HydrophobicContact CE1-CB 3.65Å; Y23-E42 HydrophobicContact CE1-CG 4.16Å; Y23-F49 HydrophobicContact CD1-CD2 4.46Å; Y23-F49 AromaticContact CE1-CD2 3.66Å; Y23-F49 HydrophobicContact CE1-CD2 3.66Å; Y23-F49 HydrophobicContact CE1-CE2 4.06Å; Y23-F49 HydrophobicContact CE1-CG 4.2Å; Y23-D95 HydrophobicContact CE2-CB 4.35Å; Y23-D95 WeakPolarHBondContact CE2-OD2 3.42Å; Y23-D95 PolarHBondContact OH-OD2 3.36Å; Y23-F97 AromaticContact CD2-CE2 3.92Å; Y23-F97 HydrophobicContact CD2-CE2 3.92Å; Y23-F97 HydrophobicContact CD2-CZ 4.12Å; Y23-F97 AromaticContact CE2-CE2 3.86Å; Y23-F97 HydrophobicContact CE2-CE2 3.86Å; Y23-F97 AromaticContact CE2-CZ 3.98Å; Y23-F97 HydrophobicContact CE2-CZ 3.98Å; Y23-V106 HydrophobicContact CD2-CG2 4.26Å; Y23-V106 HydrophobicContact CE1-CG1 3.94Å; Y23-V106 HydrophobicContact CE2-CG1 4.27Å; Y23-V106 HydrophobicContact CE2-CG2 4.01Å
24	E	94.7	Very high	83.7	Confident	88 Å²	88	63 Å²	63	41%	0.411	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.5	168.3	-166.8	-166.3	169.9	0	0	109.1	K26 C40 I41 K43	E24-K26 IonicContact OE1-NZ 3.68Å; E24-K26 PolarHBondContact OE1-NZ 3.05Å; E24-K26 WeakPolarHBondContact OE2-CE 3.09Å; E24-K26 IonicContact OE2-NZ 2.8Å; E24-K26 PolarHBondContact OE2-NZ 3.49Å; E24-C40 CarbonylContact O-C 3.6Å; E24-C40 WeakPolarHBondContact O-CA 3.49Å; E24-C40 WeakPolarHBondContact O-CB 3.39Å; E24-I41 PolarHBondContact N-O 3.05Å; E24-I41 PolarHBondContact O-N 2.88Å; E24-K43 HydrophobicContact CB-CG 4.44Å
25	P	93.6	Very high	84.9	Confident	25 Å²	25	58.9 Å²	58.9	16%	0.162	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	148	176.5	29.4	-33.5	0	0	0	111.4	L10 F19 Y20	L10-P25 HydrophobicContact CD1-CG 4.36Å; L10-P25 HydrophobicContact CD2-CB 4.28Å; L10-P25 HydrophobicContact CD2-CG 4.21Å; F19-P25 HydrophobicContact CE1-CB 4.2Å; F19-P25 HydrophobicContact CE1-CG 4.29Å; F19-P25 HydrophobicContact CZ-CB 4.46Å; Y20-P25 HydrophobicContact CD1-CG 4.32Å; Y20-P25 HydrophobicContact CE1-CG 3.86Å
26	K	94.6	Very high	86.4	Confident	56 Å²	56	59.2 Å²	59.2	24%	0.243	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-145	179.7	-57.3	-65.7	-176.4	-178	0	109.5	E24 R38 R39 I41	E24-K26 IonicContact OE1-NZ 3.68Å; E24-K26 PolarHBondContact OE1-NZ 3.05Å; E24-K26 WeakPolarHBondContact OE2-CE 3.09Å; E24-K26 IonicContact OE2-NZ 2.8Å; E24-K26 PolarHBondContact OE2-NZ 3.49Å; K26-R38 VanDerWaalsContact O-CZ 3.3Å; K26-R38 PolarHBondContact O-NE 3.4Å; K26-R38 PolarHBondContact O-NH2 3.5Å; K26-R39 WeakPolarHBondContact CA-O 3.5Å; K26-R39 HydrophobicContact CB-CB 4.24Å; K26-R39 WeakPolarHBondContact CB-O 3.19Å; K26-R39 PolarHBondContact N-O 3.39Å; K26-I41 HydrophobicContact CD-CD1 4.45Å; K26-I41 VanDerWaalsContact CE-CD1 3.43Å; K26-I41 HydrophobicContact CG-CD1 4.32Å; K26-I41 HydrophobicContact CG-CG1 4.13Å
27	E	93.1	Very high	87.2	Confident	94 Å²	94	60.9 Å²	60.9	44%	0.439	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	158	-178.5	72.4	-78.7	-177.4	0	0	113.5	R38 R39	E27-R38 CarbonylContact O-C 3.31Å; E27-R38 WeakPolarHBondContact O-CA 3.48Å; E27-R39 VanDerWaalsContact CD-NE 3.32Å; E27-R39 PolarHBondContact O-N 2.91Å; E27-R39 IonicContact OE1-CZ 3.79Å; E27-R39 IonicContact OE1-NE 3.31Å; E27-R39 PolarHBondContact OE1-NE 2.83Å; E27-R39 IonicContact OE1-NH2 2.66Å; E27-R39 PolarHBondContact OE1-NH2 3.04Å; E27-R39 IonicContact OE2-CZ 2.67Å; E27-R39 IonicContact OE2-NE 3.77Å; E27-R39 PolarHBondContact OE2-NE 3.14Å; E27-R39 IonicContact OE2-NH2 2.84Å; E27-R39 PolarHBondContact OE2-NH2 3.38Å
28	I	92.4	Very high	87.9	Confident	51 Å²	51	55.5 Å²	55.5	26%	0.262	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	129.7	173.2	-64	173.2	0	0	0	109	R31 T36 R38	I28-R31 VanDerWaalsContact CD1-NH2 3.28Å; I28-R31 HydrophobicContact CG2-CG 3.93Å; I28-T36 HydrophobicContact CD1-CG2 4.11Å; I28-T36 HydrophobicContact CG1-CG2 4.05Å; I28-T36 HydrophobicContact CG2-CG2 3.95Å; I28-R38 HydrophobicContact CG1-CG 4.02Å
29	L	88.3	Confident	88.4	Confident	87 Å²	87	55.6 Å²	55.6	46%	0.455	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-30.9	174.5	-60.4	177.8	0	0	0	111.8	V37 R39 A50 L109	L29-V37 HydrophobicContact CB-CG1 4.32Å; L29-V37 PolarHBondContact N-O 2.87Å; L29-R39 HydrophobicContact CD1-CB 4.01Å; L29-R39 HydrophobicContact CD2-CB 4.15Å; L29-R39 HydrophobicContact CG-CB 4.1Å; L29-A50 HydrophobicContact CD1-CB 4.14Å; L29-L109 HydrophobicContact CD1-CD1 3.72Å
30	G	83.3	Confident	88.7	Confident	28 Å²	28	55.5 Å²	55.5	29%	0.289	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	155.8	179.3	0	0	0	0	0	113.1	V37	G30-V37 PolarHBondContact N-O 3.47Å; G30-V37 PolarHBondContact O-N 3.04Å
31	R	81.4	Confident	89	Confident	143 Å²	143	55.7 Å²	55.7	54%	0.54	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.7	174.6	-65.7	-174.9	177.7	-156.5	-6.5	109.2	D7 I28 T36	D7-R31 PolarHBondContact O-NH2 3.44Å; I28-R31 VanDerWaalsContact CD1-NH2 3.28Å; I28-R31 HydrophobicContact CG2-CG 3.93Å; R31-T36 HydrophobicContact CG-CG2 4.33Å
32	G	71.5	Confident	89.3	Confident	46 Å²	46	53.1 Å²	53.1	47%	0.474	28%	0.281	S	S	.	.			trans	-110.4	-175.1	169.7	0	0	0	0	0	110.9	S35	G32-S35 WeakPolarHBondContact CA-O 3.43Å; G32-S35 PolarHBondContact N-O 3.19Å
33	I	69	Low	89.4	Confident	169 Å²	169	55.9 Å²	55.9	87%	0.867	29%	0.293	S	S	*	.	S	Bend	trans	-65.2	-42.2	-176.3	-61.1	169.9	0	0	0	111.8
34	S	72.8	Confident	89.3	Confident	42 Å²	42	64.3 Å²	64.3	29%	0.294	33%	0.332	S	S	.	.	S	Bend	trans	-127.2	14.7	-178.1	58.5	0	0	0	0	113.1	D55	S34-D55 PolarHBondContact O-N 3.1Å
35	S	84.5	Confident	89.4	Confident	24 Å²	24	64.2 Å²	64.2	17%	0.168	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	144.8	-177.8	69.1	0	0	0	0	113	G32 I53	G32-S35 WeakPolarHBondContact CA-O 3.43Å; G32-S35 PolarHBondContact N-O 3.19Å; S35-I53 CarbonylContact C-O 3.57Å; S35-I53 WeakPolarHBondContact CA-O 3.34Å; S35-I53 WeakPolarHBondContact CB-O 3.27Å
36	T	90.1	Very high	89.5	Confident	45 Å²	45	65.3 Å²	65.3	28%	0.276	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.2	171.8	-62.9	0	0	0	0	109.9	I28 R31 R38 I53	I28-T36 HydrophobicContact CD1-CG2 4.11Å; I28-T36 HydrophobicContact CG1-CG2 4.05Å; I28-T36 HydrophobicContact CG2-CG2 3.95Å; R31-T36 HydrophobicContact CG-CG2 4.33Å; T36-R38 HydrophobicContact CG2-CG 4.23Å; T36-I53 PolarHBondContact N-O 3.41Å; T36-I53 WeakPolarHBondContact O-CB 3.42Å; T36-I53 PolarHBondContact O-N 3.01Å
37	V	92.5	Very high	89.6	Confident	43 Å²	43	68.3 Å²	68.3	26%	0.261	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.6	176.1	-174	0	0	0	0	109.1	L29 G30 A50 A51 K52	L29-V37 HydrophobicContact CB-CG1 4.32Å; L29-V37 PolarHBondContact N-O 2.87Å; G30-V37 PolarHBondContact N-O 3.47Å; G30-V37 PolarHBondContact O-N 3.04Å; V37-A50 HydrophobicContact CG1-CB 4.23Å; V37-A51 CarbonylContact C-O 3.59Å; V37-A51 VanDerWaalsContact CA-O 3.31Å; V37-A51 WeakPolarHBondContact CA-O 3.41Å; V37-K52 HydrophobicContact CG2-CB 4.19Å; V37-K52 HydrophobicContact CG2-CG 4.16Å
38	R	94.3	Very high	89.8	Confident	16 Å²	16	68.1 Å²	68.1	6%	0.06	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149	177.5	-61.8	-175.9	80.6	124.9	3.9	111.3	D8 L10 K26 E27 I28 T36 A50 A51 I53	D8-R38 IonicContact OD1-CZ 3.02Å; D8-R38 VanDerWaalsContact OD1-CZ 3.31Å; D8-R38 IonicContact OD1-NH1 3.54Å; D8-R38 PolarHBondContact OD1-NH1 3.02Å; D8-R38 IonicContact OD1-NH2 3.74Å; D8-R38 PolarHBondContact OD1-NH2 3.2Å; D8-R38 IonicContact OD2-CZ 2.99Å; D8-R38 IonicContact OD2-NH1 2.84Å; D8-R38 IonicContact OD2-NH2 2.71Å; D8-R38 PolarHBondContact OD2-NH2 3.13Å; L10-R38 VanDerWaalsContact CG-NH1 3.29Å; K26-R38 VanDerWaalsContact O-CZ 3.3Å; K26-R38 PolarHBondContact O-NE 3.4Å; K26-R38 PolarHBondContact O-NH2 3.5Å; E27-R38 CarbonylContact O-C 3.31Å; E27-R38 WeakPolarHBondContact O-CA 3.48Å; I28-R38 HydrophobicContact CG1-CG 4.02Å; T36-R38 HydrophobicContact CG2-CG 4.23Å; R38-A50 CarbonylContact O-C 3.53Å; R38-A50 WeakPolarHBondContact O-CA 3.43Å; R38-A51 PolarHBondContact N-O 3.49Å; R38-A51 PolarHBondContact O-N 2.88Å; R38-I53 HydrophobicContact CG-CD1 4.2Å
39	R	96.2	Very high	90.1	Very high	41 Å²	41	65.9 Å²	65.9	16%	0.155	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	142.2	162.1	-170.2	174.1	59.9	89.9	5.9	108.3	K26 E27 L29 E48 F49 L109	K26-R39 WeakPolarHBondContact CA-O 3.5Å; K26-R39 HydrophobicContact CB-CB 4.24Å; K26-R39 WeakPolarHBondContact CB-O 3.19Å; K26-R39 PolarHBondContact N-O 3.39Å; E27-R39 VanDerWaalsContact CD-NE 3.32Å; E27-R39 PolarHBondContact O-N 2.91Å; E27-R39 IonicContact OE1-CZ 3.79Å; E27-R39 IonicContact OE1-NE 3.31Å; E27-R39 PolarHBondContact OE1-NE 2.83Å; E27-R39 IonicContact OE1-NH2 2.66Å; E27-R39 PolarHBondContact OE1-NH2 3.04Å; E27-R39 IonicContact OE2-CZ 2.67Å; E27-R39 IonicContact OE2-NE 3.77Å; E27-R39 PolarHBondContact OE2-NE 3.14Å; E27-R39 IonicContact OE2-NH2 2.84Å; E27-R39 PolarHBondContact OE2-NH2 3.38Å; L29-R39 HydrophobicContact CD1-CB 4.01Å; L29-R39 HydrophobicContact CD2-CB 4.15Å; L29-R39 HydrophobicContact CG-CB 4.1Å; R39-E48 IonicContact CZ-OE1 2.74Å; R39-E48 IonicContact NH1-OE1 2.82Å; R39-E48 PolarHBondContact NH1-OE1 3.3Å; R39-F49 WeakPolarHBondContact CA-O 3.2Å; R39-L109 HydrophobicContact CG-CD2 4.22Å
40	C	96.8	Very high	90.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	158.4	171.2	63.2	0	0	0	0	111	F19 Y23 E24 E48 F49	F19-C40 HydrophobicContact CZ-CB 4.17Å; Y23-C40 HydrophobicContact CD1-CB 4.48Å; E24-C40 CarbonylContact O-C 3.6Å; E24-C40 WeakPolarHBondContact O-CA 3.49Å; E24-C40 WeakPolarHBondContact O-CB 3.39Å; C40-E48 WeakPolarHBondContact O-CA 3.45Å; C40-F49 PolarHBondContact N-O 3.41Å; C40-F49 PolarHBondContact O-N 2.97Å
41	I	97.3	Very high	91.1	Very high	33 Å²	33	60.9 Å²	60.9	17%	0.169	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128	179.1	-54.7	-174.1	0	0	0	108.4	Y23 E24 K26 K43 K47 E48	Y23-I41 CarbonylContact C-O 3.41Å; Y23-I41 WeakPolarHBondContact CA-O 3.49Å; E24-I41 PolarHBondContact N-O 3.05Å; E24-I41 PolarHBondContact O-N 2.88Å; K26-I41 HydrophobicContact CD-CD1 4.45Å; K26-I41 VanDerWaalsContact CE-CD1 3.43Å; K26-I41 HydrophobicContact CG-CD1 4.32Å; K26-I41 HydrophobicContact CG-CG1 4.13Å; I41-K43 PolarHBondContact O-N 3.29Å; I41-K47 WeakPolarHBondContact CA-O 3.27Å; I41-E48 HydrophobicContact CG1-CG 4.44Å
42	E	97.5	Very high	91.7	Very high	19 Å²	19	55.4 Å²	55.4	9%	0.089	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	122.2	170.9	-176.8	174.4	-133.9	0	0	109.5	K22 Y23 E44 T45 G46 K47 F49	K22-E42 WeakPolarHBondContact CE-OE1 3.44Å; K22-E42 HydrophobicContact CG-CG 4.49Å; K22-E42 IonicContact NZ-OE1 3.17Å; K22-E42 PolarHBondContact NZ-OE1 3.05Å; Y23-E42 HydrophobicContact CD1-CB 4.05Å; Y23-E42 HydrophobicContact CE1-CB 3.65Å; Y23-E42 HydrophobicContact CE1-CG 4.16Å; E42-E44 VanDerWaalsContact C-N 3.31Å; E42-E44 PolarHBondContact O-N 3.07Å; E42-T45 WeakPolarHBondContact OE2-CB 3.44Å; E42-T45 WeakPolarHBondContact OE2-CG2 3.43Å; E42-T45 PolarHBondContact OE2-OG1 2.97Å; E42-G46 VanDerWaalsContact O-CA 3.29Å; E42-G46 WeakPolarHBondContact O-CA 3.42Å; E42-G46 PolarHBondContact O-N 3.18Å; E42-K47 PolarHBondContact N-O 3.27Å; E42-F49 HydrophobicContact CB-CD2 4.17Å; E42-F49 HydrophobicContact CB-CE2 3.77Å
43	K	96.3	Very high	92.6	Very high	123 Å²	123	53.9 Å²	53.9	54%	0.535	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.8	-170.8	-69.1	177.9	178.4	176.5	0	113.8	Y20 K22 E24 I41	Y20-K43 PolarHBondContact O-NZ 2.92Å; K22-K43 WeakPolarHBondContact O-CG 3.38Å; K22-K43 PolarHBondContact O-N 3.43Å; E24-K43 HydrophobicContact CB-CG 4.44Å; I41-K43 PolarHBondContact O-N 3.29Å
44	E	95.7	Very high	93.6	Very high	178 Å²	178	46.1 Å²	46.1	83%	0.832	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-43	-177.4	-174.2	176.6	177.6	0	0	112.1	E42	E42-E44 VanDerWaalsContact C-N 3.31Å; E42-E44 PolarHBondContact O-N 3.07Å
45	T	96.4	Very high	94.2	Very high	85 Å²	85	46.8 Å²	46.8	52%	0.521	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-19.1	-172.2	67.8	0	0	0	0	113.4	E42 K47	E42-T45 WeakPolarHBondContact OE2-CB 3.44Å; E42-T45 WeakPolarHBondContact OE2-CG2 3.43Å; E42-T45 PolarHBondContact OE2-OG1 2.97Å; T45-K47 PolarHBondContact O-N 3.43Å; T45-K47 VanDerWaalsContact OG1-CB 3.3Å; T45-K47 WeakPolarHBondContact OG1-CB 3.36Å; T45-K47 PolarHBondContact OG1-N 2.93Å; T45-K47 VanDerWaalsContact OG1-N 3.13Å
46	G	95.6	Very high	94.1	Very high	48 Å²	48	46.3 Å²	46.3	50%	0.495	24%	0.24	S	C	.	.			trans	71.4	6.8	-170.1	0	0	0	0	0	114	E42	E42-G46 VanDerWaalsContact O-CA 3.29Å; E42-G46 WeakPolarHBondContact O-CA 3.42Å; E42-G46 PolarHBondContact O-N 3.18Å
47	K	96.8	Very high	93.1	Very high	120 Å²	120	46.6 Å²	46.6	52%	0.522	25%	0.252	S	S	.	.			trans	-74.1	141.1	-179.4	-174.3	176.4	174.4	-170.1	0	111	I41 E42 T45 F49	I41-K47 WeakPolarHBondContact CA-O 3.27Å; E42-K47 PolarHBondContact N-O 3.27Å; T45-K47 PolarHBondContact O-N 3.43Å; T45-K47 VanDerWaalsContact OG1-CB 3.3Å; T45-K47 WeakPolarHBondContact OG1-CB 3.36Å; T45-K47 PolarHBondContact OG1-N 2.93Å; T45-K47 VanDerWaalsContact OG1-N 3.13Å; K47-F49 HydrophobicContact CB-CE2 3.79Å; K47-F49 HydrophobicContact CB-CZ 4.33Å; K47-F49 HydrophobicContact CD-CE1 4.42Å; K47-F49 HydrophobicContact CD-CE2 4.01Å; K47-F49 HydrophobicContact CD-CZ 3.67Å; K47-F49 HydrophobicContact CG-CD2 4.47Å; K47-F49 HydrophobicContact CG-CE2 3.77Å; K47-F49 HydrophobicContact CG-CZ 3.95Å; K47-F49 VanDerWaalsContact O-CD2 3.31Å; K47-F49 WeakPolarHBondContact O-CD2 3.37Å
48	E	97.3	Very high	91.6	Very high	89 Å²	89	46 Å²	46	42%	0.416	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	144.6	180	-53.2	-166.3	133.8	0	0	112.6	R39 C40 I41 L109	R39-E48 IonicContact CZ-OE1 2.74Å; R39-E48 IonicContact NH1-OE1 2.82Å; R39-E48 PolarHBondContact NH1-OE1 3.3Å; C40-E48 WeakPolarHBondContact O-CA 3.45Å; I41-E48 HydrophobicContact CG1-CG 4.44Å; E48-L109 HydrophobicContact CB-CD2 3.74Å
49	F	97.8	Very high	89.6	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	172.7	-178.1	-66	-87.6	0	0	0	110.6	Y23 R39 C40 E42 K47 Q94 V106 F107	Y23-F49 HydrophobicContact CD1-CD2 4.46Å; Y23-F49 AromaticContact CE1-CD2 3.66Å; Y23-F49 HydrophobicContact CE1-CD2 3.66Å; Y23-F49 HydrophobicContact CE1-CE2 4.06Å; Y23-F49 HydrophobicContact CE1-CG 4.2Å; R39-F49 WeakPolarHBondContact CA-O 3.2Å; C40-F49 PolarHBondContact N-O 3.41Å; C40-F49 PolarHBondContact O-N 2.97Å; E42-F49 HydrophobicContact CB-CD2 4.17Å; E42-F49 HydrophobicContact CB-CE2 3.77Å; K47-F49 HydrophobicContact CB-CE2 3.79Å; K47-F49 HydrophobicContact CB-CZ 4.33Å; K47-F49 HydrophobicContact CD-CE1 4.42Å; K47-F49 HydrophobicContact CD-CE2 4.01Å; K47-F49 HydrophobicContact CD-CZ 3.67Å; K47-F49 HydrophobicContact CG-CD2 4.47Å; K47-F49 HydrophobicContact CG-CE2 3.77Å; K47-F49 HydrophobicContact CG-CZ 3.95Å; K47-F49 VanDerWaalsContact O-CD2 3.31Å; K47-F49 WeakPolarHBondContact O-CD2 3.37Å; F49-Q94 HydrophobicContact CD1-CB 4.21Å; F49-Q94 HydrophobicContact CD1-CG 4.3Å; F49-Q94 HydrophobicContact CE1-CB 3.96Å; F49-Q94 HydrophobicContact CE1-CG 3.7Å; F49-Q94 HydrophobicContact CZ-CG 4.1Å; F49-V106 HydrophobicContact CB-CG1 3.67Å; F49-V106 HydrophobicContact CD1-CG1 4.12Å; F49-V106 HydrophobicContact CG-CG1 3.97Å; F49-F107 WeakPolarHBondContact CA-O 3.49Å; F49-F107 WeakPolarHBondContact CB-O 3.5Å; F49-F107 WeakPolarHBondContact CD1-O 2.99Å
50	A	97.1	Very high	87.6	Confident	11 Å²	11	51.2 Å²	51.2	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.9	171.3	0	0	0	0	0	110.2	L29 V37 R38 V106 F107 L109	L29-A50 HydrophobicContact CD1-CB 4.14Å; V37-A50 HydrophobicContact CG1-CB 4.23Å; R38-A50 CarbonylContact O-C 3.53Å; R38-A50 WeakPolarHBondContact O-CA 3.43Å; A50-V106 CarbonylContact O-C 3.52Å; A50-F107 PolarHBondContact N-O 3.14Å; A50-F107 PolarHBondContact O-N 3.14Å; A50-L109 HydrophobicContact CB-CD1 4.16Å
51	A	96.1	Very high	85.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.1	176.4	0	0	0	0	0	110.4	F19 V37 R38 L105	F19-A51 HydrophobicContact CE2-CB 3.72Å; F19-A51 HydrophobicContact CZ-CB 3.87Å; V37-A51 CarbonylContact C-O 3.59Å; V37-A51 VanDerWaalsContact CA-O 3.31Å; V37-A51 WeakPolarHBondContact CA-O 3.41Å; R38-A51 PolarHBondContact N-O 3.49Å; R38-A51 PolarHBondContact O-N 2.88Å; A51-L105 CarbonylContact C-O 3.58Å; A51-L105 WeakPolarHBondContact CA-O 3.31Å
52	K	93.8	Very high	82.8	Confident	28 Å²	28	64 Å²	64	12%	0.122	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	113.8	167.4	-176.5	179.3	177.7	-175.5	0	107.7	V37 I54 E77 F104 L105 F107 D171	V37-K52 HydrophobicContact CG2-CB 4.19Å; V37-K52 HydrophobicContact CG2-CG 4.16Å; K52-I54 HydrophobicContact CG-CG1 4.29Å; K52-E77 IonicContact NZ-OE1 3.43Å; K52-E77 PolarHBondContact NZ-OE1 2.91Å; K52-E77 VanDerWaalsContact NZ-OE1 3.08Å; K52-E77 IonicContact NZ-OE2 3.26Å; K52-F104 WeakPolarHBondContact O-CA 3.32Å; K52-L105 HydrophobicContact CB-CB 4.32Å; K52-L105 PolarHBondContact N-O 3.17Å; K52-L105 PolarHBondContact O-N 3.21Å; K52-F107 HydrophobicContact CB-CD2 4.34Å; K52-F107 HydrophobicContact CB-CE2 3.91Å; K52-F107 HydrophobicContact CD-CE2 4.27Å; K52-D171 IonicContact NZ-OD1 2.86Å; K52-D171 PolarHBondContact NZ-OD1 3.26Å
53	I	91.8	Very high	80.2	Confident	13 Å²	13	66.2 Å²	66.2	7%	0.067	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.1	-179.2	-50	173.7	0	0	0	106.8	P11 S35 T36 R38 F102 V103 F104	P11-I53 HydrophobicContact CG-CG2 4.03Å; S35-I53 CarbonylContact C-O 3.57Å; S35-I53 WeakPolarHBondContact CA-O 3.34Å; S35-I53 WeakPolarHBondContact CB-O 3.27Å; T36-I53 PolarHBondContact N-O 3.41Å; T36-I53 WeakPolarHBondContact O-CB 3.42Å; T36-I53 PolarHBondContact O-N 3.01Å; R38-I53 HydrophobicContact CG-CD1 4.2Å; I53-F102 HydrophobicContact CG2-CD1 4.11Å; I53-V103 WeakPolarHBondContact CA-O 3.37Å; I53-F104 HydrophobicContact CB-CD1 4.42Å; I53-F104 HydrophobicContact CB-CE1 4.41Å; I53-F104 HydrophobicContact CD1-CD1 4.31Å; I53-F104 HydrophobicContact CD1-CE1 3.98Å; I53-F104 HydrophobicContact CG1-CD1 3.76Å; I53-F104 HydrophobicContact CG1-CE1 3.85Å; I53-F104 HydrophobicContact CG2-CD1 4.18Å; I53-F104 HydrophobicContact CG2-CE1 3.8Å; I53-F104 HydrophobicContact CG2-CZ 4.06Å
54	I	88.8	Confident	77.9	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.036	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.3	-179.4	-58	167.2	0	0	0	107.6	K52 M70 T74 F102 V103 L105	K52-I54 HydrophobicContact CG-CG1 4.29Å; I54-M70 HydrophobicContact CG2-SD 4.19Å; I54-T74 HydrophobicContact CD1-CG2 3.67Å; I54-F102 CarbonylContact O-C 3.46Å; I54-F102 VanDerWaalsContact O-CA 3.26Å; I54-F102 WeakPolarHBondContact O-CA 3.46Å; I54-V103 HydrophobicContact CB-CB 4.35Å; I54-V103 PolarHBondContact N-O 3.28Å; I54-V103 PolarHBondContact O-N 2.72Å; I54-L105 HydrophobicContact CD1-CD1 4.03Å; I54-L105 HydrophobicContact CD1-CG 4.45Å
55	D	86.6	Confident	75.9	Confident	56 Å²	56	62.5 Å²	62.5	30%	0.299	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.4	177	-173.4	-18	0	0	0	109.8	S34 G57 A58 F102	S34-D55 PolarHBondContact O-N 3.1Å; D55-G57 VanDerWaalsContact C-N 3.32Å; D55-G57 WeakPolarHBondContact OD1-CA 3.43Å; D55-G57 PolarHBondContact OD1-N 2.87Å; D55-A58 HydrophobicContact CB-CB 4.03Å; D55-A58 PolarHBondContact OD1-N 3.48Å; D55-F102 HydrophobicContact CB-CD1 4.06Å; D55-F102 HydrophobicContact CB-CE1 3.76Å
56	L	80.6	Confident	74.1	Confident	13 Å²	13	62.8 Å²	62.8	7%	0.068	37%	0.374	C	S	.	.	S	Bend	trans	-78.3	-18	-179.7	-60.9	175.4	0	0	0	112.7	M70 L71 A101 V103	L56-M70 HydrophobicContact CD2-CG 4.35Å; L56-L71 HydrophobicContact CD1-CD1 3.97Å; L56-L71 HydrophobicContact CD2-CB 4.22Å; L56-L71 HydrophobicContact CD2-CD1 4.22Å; L56-A101 WeakPolarHBondContact CB-O 3.4Å; L56-A101 PolarHBondContact N-O 2.66Å; L56-V103 HydrophobicContact CD1-CG2 3.99Å; L56-V103 HydrophobicContact CD2-CG2 4.09Å; L56-V103 HydrophobicContact CG-CG2 4.2Å
57	G	69.2	Low	72.6	Confident	52 Å²	52	63.9 Å²	63.9	54%	0.536	37%	0.372	S	S	.	.	S	Bend	trans	-92.8	-9	179.6	0	0	0	0	0	114	D55 T59	D55-G57 VanDerWaalsContact C-N 3.32Å; D55-G57 WeakPolarHBondContact OD1-CA 3.43Å; D55-G57 PolarHBondContact OD1-N 2.87Å; G57-T59 PolarHBondContact O-N 3.14Å
58	A	62.3	Low	71.2	Confident	31 Å²	31	66.4 Å²	66.4	26%	0.256	38%	0.379	S	S	.	.			trans	-65.1	105.8	-178.9	0	0	0	0	0	111.6	D55 T60	D55-A58 HydrophobicContact CB-CB 4.03Å; D55-A58 PolarHBondContact OD1-N 3.48Å; A58-T60 PolarHBondContact O-N 2.98Å
59	T	52.7	Low	70.1	Confident	122 Å²	122	68.2 Å²	68.2	75%	0.748	39%	0.387	S	S	*	.			trans	-68	119.6	167	42.5	0	0	0	0	109.5	G57	G57-T59 PolarHBondContact O-N 3.14Å
60	T	52.3	Low	69	Low	43 Å²	43	69.2 Å²	69.2	26%	0.264	39%	0.392	S	S	.	.			trans	-62.4	152.1	166.6	53.3	0	0	0	0	109.8	A58 S62 G63 T65	A58-T60 PolarHBondContact O-N 2.98Å; T60-S62 PolarHBondContact O-N 2.88Å; T60-G63 PolarHBondContact O-N 3.49Å; T60-T65 WeakPolarHBondContact CG2-OG1 3.31Å; T60-T65 PolarHBondContact OG1-OG1 3.26Å
61	E	45.9	Very low	68.3	Low	211 Å²	211	70.2 Å²	70.2	99%	0.986	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-15.9	176.2	-66.6	-177.4	169.2	0	0	113.4
62	S	47.3	Very low	67.8	Low	90 Å²	90	76.4 Å²	76.4	63%	0.629	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.5	178.4	-34.1	0	0	0	0	114.6	T60 E64	T60-S62 PolarHBondContact O-N 2.88Å; S62-E64 PolarHBondContact O-N 2.92Å; S62-E64 VanDerWaalsContact O-N 3.07Å
63	G	45	Very low	67.3	Low	67 Å²	67	77.1 Å²	77.1	69%	0.691	44%	0.436	S	S	*	.	S	Bend	trans	67.2	5.7	174.1	0	0	0	0	0	116.9	T60	T60-G63 PolarHBondContact O-N 3.49Å
64	E	46.9	Very low	67.2	Low	174 Å²	174	76.8 Å²	76.8	81%	0.813	44%	0.435	S	S	*	.			trans	-114.4	3.9	-167.5	-78.4	-176.6	173.2	0	0	115.4	S62 N66	S62-E64 PolarHBondContact O-N 2.92Å; S62-E64 VanDerWaalsContact O-N 3.07Å; E64-N66 PolarHBondContact O-N 2.95Å
65	T	54.2	Low	67.3	Low	49 Å²	49	82.5 Å²	82.5	30%	0.301	46%	0.456	S	S	.	.			trans	-88.1	105.3	-177.2	-35.1	0	0	0	0	110.9	T60 P67 M70	T60-T65 WeakPolarHBondContact CG2-OG1 3.31Å; T60-T65 PolarHBondContact OG1-OG1 3.26Å; T65-P67 WeakPolarHBondContact O-CD 3.45Å; T65-M70 HydrophobicContact CG2-CE 4.19Å
66	N	58.8	Low	67.5	Low	91 Å²	91	84 Å²	84	49%	0.487	46%	0.461	S	S	.	.			trans	-65.9	121.5	168.1	-176.4	-11.9	0	0	0	109.2	E64 Y68 H69	E64-N66 PolarHBondContact O-N 2.95Å; N66-Y68 PolarHBondContact O-N 2.91Å; N66-Y68 VanDerWaalsContact OD1-CD2 3.25Å; N66-Y68 WeakPolarHBondContact OD1-CD2 3.21Å; N66-Y68 PolarHBondContact OD1-N 3.11Å; N66-H69 WeakPolarHBondContact O-CB 3.23Å; N66-H69 PolarHBondContact O-N 3.14Å
67	P	63.6	Low	68.1	Low	70 Å²	70	84 Å²	84	46%	0.455	46%	0.461	S	S	.	.	H	α-helix	trans	-49	-32.8	178.7	-30.7	36.3	0	0	0	114.1	T65 H69 M70 L71	T65-P67 WeakPolarHBondContact O-CD 3.45Å; P67-H69 VanDerWaalsContact C-N 3.33Å; P67-H69 PolarHBondContact O-N 2.91Å; P67-M70 PolarHBondContact O-N 3.49Å; P67-L71 PolarHBondContact O-N 2.97Å; P67-L71 VanDerWaalsContact O-N 3.1Å
68	Y	66.4	Low	69.3	Low	173 Å²	173	82.1 Å²	82.1	68%	0.678	44%	0.438	S	S	*	.	H	α-helix	trans	-59.8	-39.5	175.8	-74.2	-79.2	0	0	0	113	N66 L71 E72	N66-Y68 PolarHBondContact O-N 2.91Å; N66-Y68 VanDerWaalsContact OD1-CD2 3.25Å; N66-Y68 WeakPolarHBondContact OD1-CD2 3.21Å; N66-Y68 PolarHBondContact OD1-N 3.11Å; Y68-L71 PolarHBondContact O-N 3.42Å; Y68-E72 WeakPolarHBondContact O-CG 3.49Å; Y68-E72 PolarHBondContact O-N 2.62Å
69	H	74.2	Confident	71	Confident	128 Å²	128	83.4 Å²	83.4	59%	0.593	45%	0.445	S	S	*	.	H	α-helix	trans	-70.4	-35.4	-179.3	-170.5	-92.8	0	0	0	112	N66 P67 A73	N66-H69 WeakPolarHBondContact O-CB 3.23Å; N66-H69 PolarHBondContact O-N 3.14Å; P67-H69 VanDerWaalsContact C-N 3.33Å; P67-H69 PolarHBondContact O-N 2.91Å; H69-A73 WeakPolarHBondContact O-CB 3.27Å; H69-A73 PolarHBondContact O-N 2.73Å
70	M	76.1	Confident	73.1	Confident	25 Å²	25	77.8 Å²	77.8	12%	0.123	41%	0.411	C	S	.	.	H	α-helix	trans	-69.7	-39.3	176.3	-169.5	178.7	-65.5	0	0	111.6	I54 L56 T65 P67 A73 T74	I54-M70 HydrophobicContact CG2-SD 4.19Å; L56-M70 HydrophobicContact CD2-CG 4.35Å; T65-M70 HydrophobicContact CG2-CE 4.19Å; P67-M70 PolarHBondContact O-N 3.49Å; M70-A73 PolarHBondContact O-N 2.71Å; M70-T74 WeakPolarHBondContact O-CB 3.48Å; M70-T74 PolarHBondContact O-N 3.12Å; M70-T74 PolarHBondContact O-OG1 2.93Å
71	L	81.8	Confident	75.2	Confident	31 Å²	31	75.8 Å²	75.8	16%	0.162	40%	0.398	C	S	.	.	H	α-helix	trans	-63.9	-44.4	175.3	-177.2	62	0	0	0	111.7	L56 P67 Y68 T74 R75 V103	L56-L71 HydrophobicContact CD1-CD1 3.97Å; L56-L71 HydrophobicContact CD2-CB 4.22Å; L56-L71 HydrophobicContact CD2-CD1 4.22Å; P67-L71 PolarHBondContact O-N 2.97Å; P67-L71 VanDerWaalsContact O-N 3.1Å; Y68-L71 PolarHBondContact O-N 3.42Å; L71-T74 PolarHBondContact O-N 2.83Å; L71-R75 WeakPolarHBondContact O-CB 3.48Å; L71-R75 WeakPolarHBondContact O-CG 3.29Å; L71-R75 PolarHBondContact O-N 2.94Å; L71-V103 HydrophobicContact CD1-CG2 4.29Å
72	E	85.1	Confident	77.6	Confident	130 Å²	130	73.3 Å²	73.3	61%	0.607	38%	0.38	S	S	*	.	H	α-helix	trans	-61.4	-45.4	176.1	-75.8	-177.3	170.9	0	0	112.2	Y68 T74 R75 Q76	Y68-E72 WeakPolarHBondContact O-CG 3.49Å; Y68-E72 PolarHBondContact O-N 2.62Å; E72-T74 VanDerWaalsContact C-N 3.32Å; E72-T74 PolarHBondContact O-N 3.41Å; E72-R75 PolarHBondContact O-N 2.76Å; E72-Q76 PolarHBondContact O-N 2.78Å
73	A	84.5	Confident	79.9	Confident	43 Å²	43	72.1 Å²	72.1	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-59.8	-42.6	175.2	0	0	0	0	0	111.9	H69 M70 Q76 E77	H69-A73 WeakPolarHBondContact O-CB 3.27Å; H69-A73 PolarHBondContact O-N 2.73Å; M70-A73 PolarHBondContact O-N 2.71Å; A73-Q76 WeakPolarHBondContact O-CB 3.36Å; A73-Q76 PolarHBondContact O-N 3.31Å; A73-E77 PolarHBondContact O-N 2.8Å
74	T	88.4	Confident	82.4	Confident	6 Å²	6	69 Å²	69	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-65.4	-41.7	177.5	-55	0	0	0	0	111.6	I54 M70 L71 E72 Q76 E77 I78 V103	I54-T74 HydrophobicContact CD1-CG2 3.67Å; M70-T74 WeakPolarHBondContact O-CB 3.48Å; M70-T74 PolarHBondContact O-N 3.12Å; M70-T74 PolarHBondContact O-OG1 2.93Å; L71-T74 PolarHBondContact O-N 2.83Å; E72-T74 VanDerWaalsContact C-N 3.32Å; E72-T74 PolarHBondContact O-N 3.41Å; T74-Q76 VanDerWaalsContact C-N 3.32Å; T74-Q76 PolarHBondContact O-N 3.36Å; T74-E77 WeakPolarHBondContact O-CB 3.44Å; T74-E77 PolarHBondContact O-N 3.11Å; T74-I78 HydrophobicContact CG2-CD1 4.1Å; T74-I78 WeakPolarHBondContact O-CD1 3.05Å; T74-I78 VanDerWaalsContact O-CG1 3.29Å; T74-I78 WeakPolarHBondContact O-CG1 3.13Å; T74-I78 PolarHBondContact O-N 2.88Å; T74-V103 HydrophobicContact CG2-CB 4.06Å; T74-V103 HydrophobicContact CG2-CG1 3.79Å; T74-V103 HydrophobicContact CG2-CG2 4.15Å
75	R	91	Very high	84.6	Confident	128 Å²	128	64.6 Å²	64.6	48%	0.483	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-36.5	175.7	-75.7	177.9	175.2	172.7	1.3	112.1	L71 E72 I78 S79 E98	L71-R75 WeakPolarHBondContact O-CB 3.48Å; L71-R75 WeakPolarHBondContact O-CG 3.29Å; L71-R75 PolarHBondContact O-N 2.94Å; E72-R75 PolarHBondContact O-N 2.76Å; R75-I78 PolarHBondContact O-N 2.94Å; R75-S79 WeakPolarHBondContact O-CB 3.49Å; R75-S79 PolarHBondContact O-N 3.25Å; R75-E98 IonicContact CZ-OE1 3.43Å; R75-E98 IonicContact NE-OE1 3.81Å; R75-E98 PolarHBondContact NE-OE1 3.22Å; R75-E98 IonicContact NE-OE2 2.71Å; R75-E98 IonicContact NH2-OE1 2.7Å; R75-E98 PolarHBondContact NH2-OE1 2.88Å
76	Q	91.1	Very high	86.5	Confident	88 Å²	88	65.1 Å²	65.1	41%	0.411	33%	0.327	S	S	.	.	H	α-helix	trans	-64.1	-45.2	172.6	-178.6	176.9	-28.6	0	0	111.4	E72 A73 T74 I78 S79 I80 A175	E72-Q76 PolarHBondContact O-N 2.78Å; A73-Q76 WeakPolarHBondContact O-CB 3.36Å; A73-Q76 PolarHBondContact O-N 3.31Å; T74-Q76 VanDerWaalsContact C-N 3.32Å; T74-Q76 PolarHBondContact O-N 3.36Å; Q76-I78 PolarHBondContact O-N 3.17Å; Q76-S79 WeakPolarHBondContact O-CB 3.44Å; Q76-S79 PolarHBondContact O-N 3.13Å; Q76-I80 HydrophobicContact CG-CD1 4.23Å; Q76-I80 WeakPolarHBondContact O-CG1 3.37Å; Q76-I80 PolarHBondContact O-N 3.08Å; Q76-A175 PolarHBondContact NE2-O 2.96Å; Q76-A175 VanDerWaalsContact NE2-O 3.14Å
77	E	93.6	Very high	88.3	Confident	12 Å²	12	62.2 Å²	62.2	6%	0.056	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-48.6	174.4	-178.7	179	-173.2	0	0	110.9	K52 A73 T74 S79 I80 L81 F172	K52-E77 IonicContact NZ-OE1 3.43Å; K52-E77 PolarHBondContact NZ-OE1 2.91Å; K52-E77 VanDerWaalsContact NZ-OE1 3.08Å; K52-E77 IonicContact NZ-OE2 3.26Å; A73-E77 PolarHBondContact O-N 2.8Å; T74-E77 WeakPolarHBondContact O-CB 3.44Å; T74-E77 PolarHBondContact O-N 3.11Å; E77-S79 VanDerWaalsContact C-N 3.34Å; E77-S79 PolarHBondContact O-N 3.41Å; E77-I80 PolarHBondContact O-N 3.32Å; E77-L81 HydrophobicContact CG-CD1 3.83Å; E77-L81 HydrophobicContact CG-CG 4.4Å; E77-L81 WeakPolarHBondContact O-CB 3.41Å; E77-L81 WeakPolarHBondContact O-CG 2.99Å; E77-L81 PolarHBondContact O-N 2.87Å; E77-F172 HydrophobicContact CG-CB 4.22Å
78	I	94.8	Very high	89.9	Confident	12 Å²	12	62.5 Å²	62.5	6%	0.062	31%	0.312	C	S	.	.	H	α-helix	trans	-58.2	-45	176.8	-67.6	158.7	0	0	0	111.4	T74 R75 Q76 I80 L81 R82 L93 V96 V103 L105	T74-I78 HydrophobicContact CG2-CD1 4.1Å; T74-I78 WeakPolarHBondContact O-CD1 3.05Å; T74-I78 VanDerWaalsContact O-CG1 3.29Å; T74-I78 WeakPolarHBondContact O-CG1 3.13Å; T74-I78 PolarHBondContact O-N 2.88Å; R75-I78 PolarHBondContact O-N 2.94Å; Q76-I78 PolarHBondContact O-N 3.17Å; I78-I80 PolarHBondContact O-N 3.22Å; I78-L81 PolarHBondContact O-N 2.93Å; I78-R82 HydrophobicContact CG2-CG 4.46Å; I78-R82 WeakPolarHBondContact O-CB 2.77Å; I78-R82 WeakPolarHBondContact O-CG 3.28Å; I78-R82 PolarHBondContact O-N 2.89Å; I78-L93 HydrophobicContact CG2-CD2 4.39Å; I78-V96 HydrophobicContact CD1-CG1 3.82Å; I78-V96 HydrophobicContact CG1-CG1 4.43Å; I78-V96 HydrophobicContact CG1-CG2 4.41Å; I78-V96 HydrophobicContact CG2-CG2 4.1Å; I78-V103 HydrophobicContact CD1-CG1 4.29Å; I78-L105 HydrophobicContact CD1-CD2 3.82Å; I78-L105 HydrophobicContact CG1-CD2 3.54Å
79	S	96.7	Very high	91.4	Very high	59 Å²	59	56.4 Å²	56.4	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-46.7	178.8	179.5	0	0	0	0	111.3	R75 Q76 E77 R82 Q83	R75-S79 WeakPolarHBondContact O-CB 3.49Å; R75-S79 PolarHBondContact O-N 3.25Å; Q76-S79 WeakPolarHBondContact O-CB 3.44Å; Q76-S79 PolarHBondContact O-N 3.13Å; E77-S79 VanDerWaalsContact C-N 3.34Å; E77-S79 PolarHBondContact O-N 3.41Å; S79-R82 PolarHBondContact O-N 3.48Å; S79-Q83 WeakPolarHBondContact O-CG 3.26Å; S79-Q83 PolarHBondContact O-N 3.09Å
80	I	97.3	Very high	92.6	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-49	177.7	-71.9	173.7	0	0	0	110.7	Q76 E77 I78 R82 Q83 V84 I149 F172 A175	Q76-I80 HydrophobicContact CG-CD1 4.23Å; Q76-I80 WeakPolarHBondContact O-CG1 3.37Å; Q76-I80 PolarHBondContact O-N 3.08Å; E77-I80 PolarHBondContact O-N 3.32Å; I78-I80 PolarHBondContact O-N 3.22Å; I80-R82 VanDerWaalsContact C-N 3.27Å; I80-R82 PolarHBondContact O-N 3.5Å; I80-Q83 WeakPolarHBondContact O-CA 3.25Å; I80-Q83 WeakPolarHBondContact O-CB 3.42Å; I80-Q83 PolarHBondContact O-N 2.83Å; I80-V84 WeakPolarHBondContact O-CG2 3.44Å; I80-V84 PolarHBondContact O-N 2.82Å; I80-V84 VanDerWaalsContact O-N 3.07Å; I80-I149 HydrophobicContact CG2-CD1 4.28Å; I80-I149 HydrophobicContact CG2-CG2 4.06Å; I80-F172 HydrophobicContact CG2-CB 4.17Å; I80-F172 HydrophobicContact CG2-CD1 3.58Å; I80-F172 HydrophobicContact CG2-CE1 4.35Å; I80-F172 HydrophobicContact CG2-CG 4.16Å; I80-A175 VanDerWaalsContact CD1-C 3.43Å; I80-A175 HydrophobicContact CD1-CB 3.75Å; I80-A175 VanDerWaalsContact CD1-O 3.23Å; I80-A175 WeakPolarHBondContact CD1-O 3.34Å; I80-A175 HydrophobicContact CG2-CB 4.09Å
81	L	96.9	Very high	93.6	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-55.3	-42.6	178.7	-77.3	168.3	0	0	0	112	E77 I78 Q83 V84 M85 I91 L93 F107 F172	E77-L81 HydrophobicContact CG-CD1 3.83Å; E77-L81 HydrophobicContact CG-CG 4.4Å; E77-L81 WeakPolarHBondContact O-CB 3.41Å; E77-L81 WeakPolarHBondContact O-CG 2.99Å; E77-L81 PolarHBondContact O-N 2.87Å; I78-L81 PolarHBondContact O-N 2.93Å; L81-Q83 VanDerWaalsContact C-N 3.32Å; L81-Q83 PolarHBondContact O-N 3.27Å; L81-V84 PolarHBondContact O-N 3.07Å; L81-M85 PolarHBondContact O-N 3.35Å; L81-I91 HydrophobicContact CD2-CG2 4.12Å; L81-L93 HydrophobicContact CB-CB 4.25Å; L81-L93 HydrophobicContact CB-CD2 3.83Å; L81-L93 HydrophobicContact CD1-CD2 4.13Å; L81-F107 HydrophobicContact CD1-CE1 3.71Å; L81-F107 HydrophobicContact CD1-CZ 3.75Å; L81-F107 HydrophobicContact CD2-CE1 4.08Å; L81-F172 HydrophobicContact CD2-CB 4.22Å; L81-F172 HydrophobicContact CD2-CD2 3.49Å; L81-F172 VanDerWaalsContact CD2-CD2 3.49Å; L81-F172 HydrophobicContact CD2-CE2 4.13Å; L81-F172 HydrophobicContact CD2-CG 4.05Å; L81-F172 HydrophobicContact CG-CB 4.25Å; L81-F172 HydrophobicContact CG-CD2 4.4Å
82	R	96.4	Very high	94.2	Very high	159 Å²	159	50 Å²	50	60%	0.6	26%	0.26	S	S	*	.	H	α-helix	trans	-63.5	-35.5	175.3	-74.4	178.2	175.2	177.3	0.6	112.9	I78 S79 I80 L93	I78-R82 HydrophobicContact CG2-CG 4.46Å; I78-R82 WeakPolarHBondContact O-CB 2.77Å; I78-R82 WeakPolarHBondContact O-CG 3.28Å; I78-R82 PolarHBondContact O-N 2.89Å; S79-R82 PolarHBondContact O-N 3.48Å; I80-R82 VanDerWaalsContact C-N 3.27Å; I80-R82 PolarHBondContact O-N 3.5Å; R82-L93 HydrophobicContact CG-CD2 4.47Å
83	Q	96.4	Very high	94.8	Very high	65 Å²	65	44.1 Å²	44.1	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-72.2	-28.9	177.4	-69.6	-177.8	56.6	0	0	113.4	S79 I80 L81 K147 I149	S79-Q83 WeakPolarHBondContact O-CG 3.26Å; S79-Q83 PolarHBondContact O-N 3.09Å; I80-Q83 WeakPolarHBondContact O-CA 3.25Å; I80-Q83 WeakPolarHBondContact O-CB 3.42Å; I80-Q83 PolarHBondContact O-N 2.83Å; L81-Q83 VanDerWaalsContact C-N 3.32Å; L81-Q83 PolarHBondContact O-N 3.27Å; Q83-K147 WeakPolarHBondContact O-CE 3.26Å; Q83-I149 HydrophobicContact CB-CD1 4.48Å
84	V	96.8	Very high	95.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-100	-3.6	-175.9	-57.8	0	0	0	0	113.9	I80 L81 I90 Y143 I144 K147 I149 F172	I80-V84 WeakPolarHBondContact O-CG2 3.44Å; I80-V84 PolarHBondContact O-N 2.82Å; I80-V84 VanDerWaalsContact O-N 3.07Å; L81-V84 PolarHBondContact O-N 3.07Å; V84-I90 HydrophobicContact CB-CG2 4.23Å; V84-I90 HydrophobicContact CG2-CG2 3.68Å; V84-Y143 HydrophobicContact CB-CE1 4.02Å; V84-Y143 VanDerWaalsContact O-CE1 3.24Å; V84-Y143 WeakPolarHBondContact O-CE1 3.45Å; V84-I144 HydrophobicContact CB-CG2 4.31Å; V84-I144 HydrophobicContact CG1-CG2 3.84Å; V84-K147 HydrophobicContact CG1-CD 4.38Å; V84-I149 HydrophobicContact CG1-CD1 3.54Å; V84-F172 HydrophobicContact CG2-CE1 4.27Å; V84-F172 HydrophobicContact CG2-CZ 4.15Å
85	M	93.6	Very high	95.7	Very high	83 Å²	83	48 Å²	48	41%	0.409	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	147.4	178.3	-170	-175.9	-60.8	0	0	113	L81 L93 Y143	L81-M85 PolarHBondContact O-N 3.35Å; M85-L93 HydrophobicContact CE-CB 4.32Å; M85-L93 WeakPolarHBondContact CE-O 3.48Å; M85-Y143 PolarHBondContact O-OH 3.36Å
86	G	92.5	Very high	95.9	Very high	59 Å²	59	43.7 Å²	43.7	61%	0.608	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.8	0.1	172.2	0	0	0	0	0	115.2	D92	G86-D92 PolarHBondContact N-OD1 3.17Å
87	H	97.3	Very high	96	Very high	30 Å²	30	41.5 Å²	41.5	14%	0.139	22%	0.221	C	C	.	.			trans	-85.9	133.3	172.4	-173	-92	0	0	0	110.8	Y89 I90 Y143	H87-Y89 AromaticContact CE1-CD2 3.72Å; H87-Y89 PolarHBondContact ND1-N 3.24Å; H87-Y89 PolarHBondContact O-N 2.85Å; H87-I90 HydrophobicContact CB-CB 4.18Å; H87-I90 HydrophobicContact CB-CG1 3.82Å; H87-I90 PolarHBondContact O-N 3.13Å; H87-Y143 HydrophobicContact CB-CD1 3.67Å; H87-Y143 HydrophobicContact CB-CD2 4.29Å; H87-Y143 HydrophobicContact CB-CE1 3.52Å; H87-Y143 HydrophobicContact CB-CE2 4.14Å; H87-Y143 HydrophobicContact CB-CG 4.04Å; H87-Y143 AromaticContact CD2-CD1 3.92Å; H87-Y143 AromaticContact CD2-CD2 3.39Å; H87-Y143 WeakPolarHBondContact CD2-CD2 3.39Å; H87-Y143 AromaticContact CD2-CE2 3.91Å; H87-Y143 AromaticContact CD2-CG 3.37Å; H87-Y143 AromaticContact CG-CD1 3.72Å; H87-Y143 AromaticContact CG-CG 3.67Å; H87-Y143 AromaticContact NE2-CG 3.98Å
88	P	97.3	Very high	95.7	Very high	76 Å²	76	45.4 Å²	45.4	49%	0.494	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.8	-172.9	22.4	-35.2	0	0	0	114.6	K168	P88-K168 WeakPolarHBondContact O-CD 3.42Å; P88-K168 WeakPolarHBondContact O-CE 3.27Å; P88-K168 PolarHBondContact O-NZ 2.88Å
89	Y	98.3	Very high	95.2	Very high	46 Å²	46	46.1 Å²	46.1	18%	0.18	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	10.2	-178.4	-50.2	-45.8	0	0	0	114.7	H87 Q136 E139 V167 I169	H87-Y89 AromaticContact CE1-CD2 3.72Å; H87-Y89 PolarHBondContact ND1-N 3.24Å; H87-Y89 PolarHBondContact O-N 2.85Å; Y89-Q136 HydrophobicContact CD1-CB 3.83Å; Y89-Q136 HydrophobicContact CD1-CG 4.01Å; Y89-Q136 HydrophobicContact CD2-CB 3.97Å; Y89-Q136 HydrophobicContact CD2-CG 4.36Å; Y89-Q136 WeakPolarHBondContact CD2-O 3.48Å; Y89-Q136 HydrophobicContact CE1-CB 3.92Å; Y89-Q136 HydrophobicContact CE1-CG 3.55Å; Y89-Q136 HydrophobicContact CE2-CB 4.06Å; Y89-Q136 HydrophobicContact CE2-CG 3.96Å; Y89-Q136 HydrophobicContact CG-CB 3.87Å; Y89-Q136 HydrophobicContact CG-CG 4.4Å; Y89-E139 HydrophobicContact CD2-CB 3.82Å; Y89-E139 HydrophobicContact CE2-CB 4.01Å; Y89-E139 WeakPolarHBondContact CE2-OE2 3.39Å; Y89-V167 WeakPolarHBondContact CA-O 3.38Å; Y89-V167 WeakPolarHBondContact CD1-O 3.35Å; Y89-I169 WeakPolarHBondContact O-CG1 3.37Å; Y89-I169 PolarHBondContact O-N 2.76Å
90	I	98.2	Very high	94.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-111.4	144.5	170.5	-54.2	-56.7	0	0	0	107.8	V84 H87 Y143 I144 K168 I169 F172	V84-I90 HydrophobicContact CB-CG2 4.23Å; V84-I90 HydrophobicContact CG2-CG2 3.68Å; H87-I90 HydrophobicContact CB-CB 4.18Å; H87-I90 HydrophobicContact CB-CG1 3.82Å; H87-I90 PolarHBondContact O-N 3.13Å; I90-Y143 HydrophobicContact CG1-CD1 4.12Å; I90-Y143 HydrophobicContact CG1-CE1 4.5Å; I90-I144 HydrophobicContact CD1-CG2 3.92Å; I90-I144 HydrophobicContact CG1-CG2 4.4Å; I90-K168 PolarHBondContact O-NZ 2.77Å; I90-I169 HydrophobicContact CD1-CB 3.87Å; I90-I169 HydrophobicContact CD1-CD1 3.93Å; I90-I169 HydrophobicContact CD1-CG1 4.27Å; I90-I169 HydrophobicContact CD1-CG2 4.5Å; I90-F172 HydrophobicContact CD1-CZ 4.28Å; I90-F172 HydrophobicContact CG2-CE2 3.83Å; I90-F172 HydrophobicContact CG2-CZ 3.77Å
91	I	97.4	Very high	93.7	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	28%	0.283	C	S	.	.			trans	-64.6	131.4	175.5	-164.2	74.8	0	0	0	110.6	L81 F107 E108 L160 K168 I169	L81-I91 HydrophobicContact CD2-CG2 4.12Å; I91-F107 HydrophobicContact CG1-CB 4.02Å; I91-F107 HydrophobicContact CG1-CD1 3.79Å; I91-F107 HydrophobicContact CG1-CG 4.21Å; I91-F107 HydrophobicContact CG2-CD1 4.04Å; I91-F107 HydrophobicContact CG2-CE1 4.13Å; I91-E108 WeakPolarHBondContact CA-OE1 3.31Å; I91-E108 HydrophobicContact CD1-CG 3.41Å; I91-E108 VanDerWaalsContact CD1-CG 3.41Å; I91-E108 HydrophobicContact CG1-CG 4.11Å; I91-L160 HydrophobicContact CD1-CD1 4.27Å; I91-K168 HydrophobicContact CD1-CB 4.24Å; I91-I169 WeakPolarHBondContact CB-O 3.47Å; I91-I169 WeakPolarHBondContact CG2-O 3.4Å; I91-I169 PolarHBondContact N-O 3.5Å
92	D	95.8	Very high	93.3	Very high	48 Å²	48	54.9 Å²	54.9	26%	0.257	29%	0.291	S	S	.	.			trans	-85.7	125.1	175.8	-78	-30.3	0	0	0	111.5	G86 F107 E108	G86-D92 PolarHBondContact N-OD1 3.17Å; D92-F107 VanDerWaalsContact O-CA 3.31Å; D92-F107 WeakPolarHBondContact O-CA 3.46Å; D92-E108 HydrophobicContact CB-CG 4.4Å; D92-E108 PolarHBondContact N-OE1 3.13Å; D92-E108 PolarHBondContact O-N 3.36Å
93	L	96.8	Very high	93	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	107.9	171.3	178.2	69.4	0	0	0	109.3	I78 L81 R82 M85 V96 L105 V106 F107	I78-L93 HydrophobicContact CG2-CD2 4.39Å; L81-L93 HydrophobicContact CB-CB 4.25Å; L81-L93 HydrophobicContact CB-CD2 3.83Å; L81-L93 HydrophobicContact CD1-CD2 4.13Å; R82-L93 HydrophobicContact CG-CD2 4.47Å; M85-L93 HydrophobicContact CE-CB 4.32Å; M85-L93 WeakPolarHBondContact CE-O 3.48Å; L93-V96 HydrophobicContact CD1-CG2 4.15Å; L93-V96 HydrophobicContact CD2-CG2 3.73Å; L93-V96 HydrophobicContact CG-CG2 4.15Å; L93-L105 HydrophobicContact CD1-CB 3.88Å; L93-L105 HydrophobicContact CD1-CD2 4.38Å; L93-V106 CarbonylContact C-O 3.56Å; L93-F107 HydrophobicContact CB-CD1 4.22Å; L93-F107 HydrophobicContact CB-CE1 4.06Å; L93-F107 HydrophobicContact CD1-CD1 4.05Å; L93-F107 HydrophobicContact CD1-CE1 3.69Å; L93-F107 HydrophobicContact CD1-CE2 4.42Å; L93-F107 HydrophobicContact CD1-CZ 3.9Å; L93-F107 HydrophobicContact CG-CE1 4.45Å
94	Q	95.8	Very high	92.9	Very high	90 Å²	90	44.3 Å²	44.3	42%	0.421	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-54	-177.3	-179.4	61.6	52.7	0	0	112.6	F49 V106	F49-Q94 HydrophobicContact CD1-CB 4.21Å; F49-Q94 HydrophobicContact CD1-CG 4.3Å; F49-Q94 HydrophobicContact CE1-CB 3.96Å; F49-Q94 HydrophobicContact CE1-CG 3.7Å; F49-Q94 HydrophobicContact CZ-CG 4.1Å; Q94-V106 WeakPolarHBondContact CA-O 3.24Å; Q94-V106 HydrophobicContact CB-CB 4.48Å; Q94-V106 HydrophobicContact CB-CG1 4.26Å; Q94-V106 WeakPolarHBondContact CB-O 3.24Å; Q94-V106 PolarHBondContact N-O 2.86Å
95	D	95.4	Very high	92.8	Very high	40 Å²	40	44.3 Å²	44.3	21%	0.214	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.4	-175.1	-77.1	-45.7	0	0	0	111.4	K22 Y23 F97 V106	K22-D95 WeakPolarHBondContact CE-OD2 3.49Å; K22-D95 IonicContact NZ-OD1 3.36Å; K22-D95 IonicContact NZ-OD2 2.8Å; K22-D95 PolarHBondContact NZ-OD2 3.34Å; Y23-D95 HydrophobicContact CE2-CB 4.35Å; Y23-D95 WeakPolarHBondContact CE2-OD2 3.42Å; Y23-D95 PolarHBondContact OH-OD2 3.36Å; D95-F97 HydrophobicContact CB-CE2 3.76Å; D95-F97 HydrophobicContact CB-CZ 4.08Å; D95-V106 HydrophobicContact CB-CB 4.12Å; D95-V106 HydrophobicContact CB-CG2 4.19Å; D95-V106 PolarHBondContact N-O 2.89Å; D95-V106 PolarHBondContact O-N 3.15Å
96	V	95.1	Very high	92.9	Very high	37 Å²	37	40.4 Å²	40.4	22%	0.224	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.7	175.8	179.1	0	0	0	0	108.9	I78 L93 F104 L105	I78-V96 HydrophobicContact CD1-CG1 3.82Å; I78-V96 HydrophobicContact CG1-CG1 4.43Å; I78-V96 HydrophobicContact CG1-CG2 4.41Å; I78-V96 HydrophobicContact CG2-CG2 4.1Å; L93-V96 HydrophobicContact CD1-CG2 4.15Å; L93-V96 HydrophobicContact CD2-CG2 3.73Å; L93-V96 HydrophobicContact CG-CG2 4.15Å; V96-F104 WeakPolarHBondContact CA-O 3.48Å; V96-L105 HydrophobicContact CB-CD2 4.45Å; V96-L105 HydrophobicContact CG1-CD2 3.96Å; V96-L105 HydrophobicContact CG2-CD2 3.92Å
97	F	93.1	Very high	93.2	Very high	42 Å²	42	38.3 Å²	38.3	18%	0.184	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.4	170.9	-51.2	-89.9	0	0	0	109.2	G18 F19 K22 Y23 D95 F104 V106	G18-F97 VanDerWaalsContact C-CE1 3.48Å; G18-F97 WeakPolarHBondContact O-CE1 2.9Å; F19-F97 HydrophobicContact CB-CB 4.32Å; F19-F97 HydrophobicContact CB-CD2 3.9Å; F19-F97 HydrophobicContact CB-CE2 4.36Å; F19-F97 HydrophobicContact CB-CG 3.98Å; F19-F97 AromaticContact CD2-CD2 3.94Å; F19-F97 HydrophobicContact CD2-CD2 3.94Å; F19-F97 HydrophobicContact CD2-CE2 4.05Å; F19-F97 HydrophobicContact CG-CD2 4.44Å; K22-F97 HydrophobicContact CB-CZ 4.44Å; K22-F97 HydrophobicContact CD-CZ 4.4Å; Y23-F97 AromaticContact CD2-CE2 3.92Å; Y23-F97 HydrophobicContact CD2-CE2 3.92Å; Y23-F97 HydrophobicContact CD2-CZ 4.12Å; Y23-F97 AromaticContact CE2-CE2 3.86Å; Y23-F97 HydrophobicContact CE2-CE2 3.86Å; Y23-F97 AromaticContact CE2-CZ 3.98Å; Y23-F97 HydrophobicContact CE2-CZ 3.98Å; D95-F97 HydrophobicContact CB-CE2 3.76Å; D95-F97 HydrophobicContact CB-CZ 4.08Å; F97-F104 HydrophobicContact CB-CB 4.11Å; F97-F104 HydrophobicContact CB-CD2 4.36Å; F97-F104 HydrophobicContact CD2-CB 4.22Å; F97-F104 PolarHBondContact N-O 3.29Å; F97-F104 PolarHBondContact O-N 2.81Å; F97-V106 HydrophobicContact CD2-CG2 4.32Å; F97-V106 HydrophobicContact CE2-CG2 3.95Å
98	E	88.8	Confident	93.1	Very high	94 Å²	94	38.9 Å²	38.9	44%	0.439	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.8	-179.1	-175.9	175.8	159.6	0	0	109	R75 V103	R75-E98 IonicContact CZ-OE1 3.43Å; R75-E98 IonicContact NE-OE1 3.81Å; R75-E98 PolarHBondContact NE-OE1 3.22Å; R75-E98 IonicContact NE-OE2 2.71Å; R75-E98 IonicContact NH2-OE1 2.7Å; R75-E98 PolarHBondContact NH2-OE1 2.88Å; E98-V103 HydrophobicContact CG-CG2 4.32Å
99	S	84.5	Confident	93.1	Very high	27 Å²	27	37 Å²	37	19%	0.189	19%	0.191	C	C	.	.			trans	-134.6	174.3	168.7	74.6	0	0	0	0	110.3	A15 A101 F102	A15-S99 WeakPolarHBondContact O-CB 3.41Å; A15-S99 PolarHBondContact O-OG 3.36Å; S99-A101 PolarHBondContact O-N 3.46Å; S99-F102 PolarHBondContact N-O 3.41Å; S99-F102 PolarHBondContact OG-N 3.12Å; S99-F102 PolarHBondContact OG-O 3.15Å
100	D	80.4	Confident	93	Very high	172 Å²	172	35.3 Å²	35.3	92%	0.92	19%	0.186	S	C	*	.	S	Bend	trans	-62.4	-25.9	-176.5	-61.8	-27.9	0	0	0	113.2
101	A	82.2	Confident	92.8	Very high	38 Å²	38	38.6 Å²	38.6	31%	0.314	21%	0.208	S	C	.	.	S	Bend	trans	-112.2	-23.4	-177	0	0	0	0	0	113.8	L56 S99	L56-A101 WeakPolarHBondContact CB-O 3.4Å; L56-A101 PolarHBondContact N-O 2.66Å; S99-A101 PolarHBondContact O-N 3.46Å
102	F	86.9	Confident	92.7	Very high	39 Å²	39	43.6 Å²	43.6	17%	0.171	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.5	-172.3	-63.1	-82.2	0	0	0	113	P11 I53 I54 D55 S99 F104	P11-F102 HydrophobicContact CB-CD1 4.47Å; P11-F102 HydrophobicContact CB-CD2 3.75Å; P11-F102 HydrophobicContact CB-CE1 4.45Å; P11-F102 HydrophobicContact CB-CE2 3.73Å; P11-F102 HydrophobicContact CB-CG 4.15Å; P11-F102 HydrophobicContact CB-CZ 4.1Å; P11-F102 HydrophobicContact CG-CD1 3.95Å; P11-F102 HydrophobicContact CG-CD2 4.14Å; P11-F102 HydrophobicContact CG-CE1 3.96Å; P11-F102 HydrophobicContact CG-CE2 4.15Å; P11-F102 HydrophobicContact CG-CG 4.05Å; P11-F102 HydrophobicContact CG-CZ 4.06Å; I53-F102 HydrophobicContact CG2-CD1 4.11Å; I54-F102 CarbonylContact O-C 3.46Å; I54-F102 VanDerWaalsContact O-CA 3.26Å; I54-F102 WeakPolarHBondContact O-CA 3.46Å; D55-F102 HydrophobicContact CB-CD1 4.06Å; D55-F102 HydrophobicContact CB-CE1 3.76Å; S99-F102 PolarHBondContact N-O 3.41Å; S99-F102 PolarHBondContact OG-N 3.12Å; S99-F102 PolarHBondContact OG-O 3.15Å; F102-F104 HydrophobicContact CB-CD2 4.34Å; F102-F104 HydrophobicContact CB-CE2 3.62Å; F102-F104 HydrophobicContact CB-CZ 4.2Å
103	V	90.4	Very high	92.7	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.6	167.4	-174	0	0	0	0	109.7	I53 I54 L56 L71 T74 I78 E98 L105	I53-V103 WeakPolarHBondContact CA-O 3.37Å; I54-V103 HydrophobicContact CB-CB 4.35Å; I54-V103 PolarHBondContact N-O 3.28Å; I54-V103 PolarHBondContact O-N 2.72Å; L56-V103 HydrophobicContact CD1-CG2 3.99Å; L56-V103 HydrophobicContact CD2-CG2 4.09Å; L56-V103 HydrophobicContact CG-CG2 4.2Å; L71-V103 HydrophobicContact CD1-CG2 4.29Å; T74-V103 HydrophobicContact CG2-CB 4.06Å; T74-V103 HydrophobicContact CG2-CG1 3.79Å; T74-V103 HydrophobicContact CG2-CG2 4.15Å; I78-V103 HydrophobicContact CD1-CG1 4.29Å; E98-V103 HydrophobicContact CG-CG2 4.32Å; V103-L105 HydrophobicContact CG1-CD2 3.95Å; V103-L105 HydrophobicContact CG1-CG 4.43Å
104	F	93.6	Very high	92.5	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.8	177.1	-59.1	-107.3	0	0	0	109.1	P11 A16 F19 K52 I53 V96 F97 F102	P11-F104 HydrophobicContact CB-CZ 4.05Å; P11-F104 HydrophobicContact CG-CE1 4.32Å; P11-F104 HydrophobicContact CG-CZ 3.8Å; A16-F104 HydrophobicContact CB-CD2 4.27Å; A16-F104 HydrophobicContact CB-CE1 4.26Å; A16-F104 HydrophobicContact CB-CE2 3.32Å; A16-F104 HydrophobicContact CB-CZ 3.31Å; F19-F104 HydrophobicContact CB-CD1 4.22Å; F19-F104 HydrophobicContact CB-CG 4.25Å; F19-F104 AromaticContact CD1-CD1 3.94Å; F19-F104 HydrophobicContact CD1-CD1 3.94Å; F19-F104 AromaticContact CD1-CE1 3.94Å; F19-F104 HydrophobicContact CD1-CE1 3.94Å; F19-F104 HydrophobicContact CD2-CB 4.22Å; F19-F104 AromaticContact CD2-CD1 3.93Å; F19-F104 HydrophobicContact CD2-CD1 3.93Å; F19-F104 HydrophobicContact CD2-CG 4.3Å; F19-F104 HydrophobicContact CE1-CD1 4.29Å; F19-F104 HydrophobicContact CE1-CE1 4.33Å; F19-F104 HydrophobicContact CE2-CD1 4.28Å; F19-F104 AromaticContact CG-CD1 3.74Å; F19-F104 HydrophobicContact CG-CD1 3.74Å; F19-F104 HydrophobicContact CG-CE1 4.15Å; F19-F104 HydrophobicContact CG-CG 4.19Å; F19-F104 HydrophobicContact CZ-CD1 4.45Å; K52-F104 WeakPolarHBondContact O-CA 3.32Å; I53-F104 HydrophobicContact CB-CD1 4.42Å; I53-F104 HydrophobicContact CB-CE1 4.41Å; I53-F104 HydrophobicContact CD1-CD1 4.31Å; I53-F104 HydrophobicContact CD1-CE1 3.98Å; I53-F104 HydrophobicContact CG1-CD1 3.76Å; I53-F104 HydrophobicContact CG1-CE1 3.85Å; I53-F104 HydrophobicContact CG2-CD1 4.18Å; I53-F104 HydrophobicContact CG2-CE1 3.8Å; I53-F104 HydrophobicContact CG2-CZ 4.06Å; V96-F104 WeakPolarHBondContact CA-O 3.48Å; F97-F104 HydrophobicContact CB-CB 4.11Å; F97-F104 HydrophobicContact CB-CD2 4.36Å; F97-F104 HydrophobicContact CD2-CB 4.22Å; F97-F104 PolarHBondContact N-O 3.29Å; F97-F104 PolarHBondContact O-N 2.81Å; F102-F104 HydrophobicContact CB-CD2 4.34Å; F102-F104 HydrophobicContact CB-CE2 3.62Å; F102-F104 HydrophobicContact CB-CZ 4.2Å
105	L	95.1	Very high	92.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.9	172.8	-53.4	-177.9	0	0	0	108.4	A51 K52 I54 I78 L93 V96 V103 F107	A51-L105 CarbonylContact C-O 3.58Å; A51-L105 WeakPolarHBondContact CA-O 3.31Å; K52-L105 HydrophobicContact CB-CB 4.32Å; K52-L105 PolarHBondContact N-O 3.17Å; K52-L105 PolarHBondContact O-N 3.21Å; I54-L105 HydrophobicContact CD1-CD1 4.03Å; I54-L105 HydrophobicContact CD1-CG 4.45Å; I78-L105 HydrophobicContact CD1-CD2 3.82Å; I78-L105 HydrophobicContact CG1-CD2 3.54Å; L93-L105 HydrophobicContact CD1-CB 3.88Å; L93-L105 HydrophobicContact CD1-CD2 4.38Å; V96-L105 HydrophobicContact CB-CD2 4.45Å; V96-L105 HydrophobicContact CG1-CD2 3.96Å; V96-L105 HydrophobicContact CG2-CD2 3.92Å; V103-L105 HydrophobicContact CG1-CD2 3.95Å; V103-L105 HydrophobicContact CG1-CG 4.43Å; L105-F107 HydrophobicContact CB-CD2 4.22Å; L105-F107 HydrophobicContact CB-CE2 3.42Å; L105-F107 VanDerWaalsContact CB-CE2 3.42Å; L105-F107 HydrophobicContact CB-CZ 3.8Å; L105-F107 HydrophobicContact CD1-CE2 4.24Å; L105-F107 HydrophobicContact CD1-CZ 4.05Å; L105-F107 HydrophobicContact CG-CE2 4.48Å; L105-F107 WeakPolarHBondContact O-CD2 3.45Å
106	V	97.3	Very high	92.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.7	179.7	-175.1	0	0	0	0	109	F19 Y23 F49 A50 L93 Q94 D95 F97	F19-V106 HydrophobicContact CD2-CG2 4.26Å; F19-V106 HydrophobicContact CE2-CG2 4.13Å; Y23-V106 HydrophobicContact CD2-CG2 4.26Å; Y23-V106 HydrophobicContact CE1-CG1 3.94Å; Y23-V106 HydrophobicContact CE2-CG1 4.27Å; Y23-V106 HydrophobicContact CE2-CG2 4.01Å; F49-V106 HydrophobicContact CB-CG1 3.67Å; F49-V106 HydrophobicContact CD1-CG1 4.12Å; F49-V106 HydrophobicContact CG-CG1 3.97Å; A50-V106 CarbonylContact O-C 3.52Å; L93-V106 CarbonylContact C-O 3.56Å; Q94-V106 WeakPolarHBondContact CA-O 3.24Å; Q94-V106 HydrophobicContact CB-CB 4.48Å; Q94-V106 HydrophobicContact CB-CG1 4.26Å; Q94-V106 WeakPolarHBondContact CB-O 3.24Å; Q94-V106 PolarHBondContact N-O 2.86Å; D95-V106 HydrophobicContact CB-CB 4.12Å; D95-V106 HydrophobicContact CB-CG2 4.19Å; D95-V106 PolarHBondContact N-O 2.89Å; D95-V106 PolarHBondContact O-N 3.15Å; F97-V106 HydrophobicContact CD2-CG2 4.32Å; F97-V106 HydrophobicContact CE2-CG2 3.95Å
107	F	97.5	Very high	92.1	Very high	15 Å²	15	40.5 Å²	40.5	7%	0.066	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	158.9	-179.4	-63.6	-81.4	0	0	0	111.8	F49 A50 K52 L81 I91 D92 L93 L105	F49-F107 WeakPolarHBondContact CA-O 3.49Å; F49-F107 WeakPolarHBondContact CB-O 3.5Å; F49-F107 WeakPolarHBondContact CD1-O 2.99Å; A50-F107 PolarHBondContact N-O 3.14Å; A50-F107 PolarHBondContact O-N 3.14Å; K52-F107 HydrophobicContact CB-CD2 4.34Å; K52-F107 HydrophobicContact CB-CE2 3.91Å; K52-F107 HydrophobicContact CD-CE2 4.27Å; L81-F107 HydrophobicContact CD1-CE1 3.71Å; L81-F107 HydrophobicContact CD1-CZ 3.75Å; L81-F107 HydrophobicContact CD2-CE1 4.08Å; I91-F107 HydrophobicContact CG1-CB 4.02Å; I91-F107 HydrophobicContact CG1-CD1 3.79Å; I91-F107 HydrophobicContact CG1-CG 4.21Å; I91-F107 HydrophobicContact CG2-CD1 4.04Å; I91-F107 HydrophobicContact CG2-CE1 4.13Å; D92-F107 VanDerWaalsContact O-CA 3.31Å; D92-F107 WeakPolarHBondContact O-CA 3.46Å; L93-F107 HydrophobicContact CB-CD1 4.22Å; L93-F107 HydrophobicContact CB-CE1 4.06Å; L93-F107 HydrophobicContact CD1-CD1 4.05Å; L93-F107 HydrophobicContact CD1-CE1 3.69Å; L93-F107 HydrophobicContact CD1-CE2 4.42Å; L93-F107 HydrophobicContact CD1-CZ 3.9Å; L93-F107 HydrophobicContact CG-CE1 4.45Å; L105-F107 HydrophobicContact CB-CD2 4.22Å; L105-F107 HydrophobicContact CB-CE2 3.42Å; L105-F107 VanDerWaalsContact CB-CE2 3.42Å; L105-F107 HydrophobicContact CB-CZ 3.8Å; L105-F107 HydrophobicContact CD1-CE2 4.24Å; L105-F107 HydrophobicContact CD1-CZ 4.05Å; L105-F107 HydrophobicContact CG-CE2 4.48Å; L105-F107 WeakPolarHBondContact O-CD2 3.45Å
108	E	96.3	Very high	92	Very high	42 Å²	42	41 Å²	41	20%	0.196	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	141.7	163.8	69.3	-180	135.7	0	0	111.3	I91 D92 K168	I91-E108 WeakPolarHBondContact CA-OE1 3.31Å; I91-E108 HydrophobicContact CD1-CG 3.41Å; I91-E108 VanDerWaalsContact CD1-CG 3.41Å; I91-E108 HydrophobicContact CG1-CG 4.11Å; D92-E108 HydrophobicContact CB-CG 4.4Å; D92-E108 PolarHBondContact N-OE1 3.13Å; D92-E108 PolarHBondContact O-N 3.36Å; E108-K168 VanDerWaalsContact CD-NZ 3.26Å; E108-K168 WeakPolarHBondContact OE1-CD 3.46Å; E108-K168 VanDerWaalsContact OE1-CE 3.25Å; E108-K168 WeakPolarHBondContact OE1-CE 3.46Å; E108-K168 IonicContact OE1-NZ 3.73Å; E108-K168 PolarHBondContact OE1-NZ 2.89Å; E108-K168 VanDerWaalsContact OE2-CE 3.26Å; E108-K168 WeakPolarHBondContact OE2-CE 3.31Å; E108-K168 IonicContact OE2-NZ 3.9Å; E108-K168 PolarHBondContact OE2-NZ 2.74Å
109	L	96.5	Very high	92.1	Very high	36 Å²	36	36.6 Å²	36.6	19%	0.188	20%	0.2	C	C	.	.			trans	-80.9	127.9	178.2	-176.9	64.2	0	0	0	110.6	L29 R39 E48 A50 P111	L29-L109 HydrophobicContact CD1-CD1 3.72Å; R39-L109 HydrophobicContact CG-CD2 4.22Å; E48-L109 HydrophobicContact CB-CD2 3.74Å; A50-L109 HydrophobicContact CB-CD1 4.16Å; L109-P111 VanDerWaalsContact O-CD 3.28Å; L109-P111 WeakPolarHBondContact O-CD 3.5Å
110	C	96.8	Very high	92.1	Very high	12 Å²	12	36.7 Å²	36.7	8%	0.081	20%	0.199	C	C	.	.			trans	-105.2	91.8	172	-68.6	0	0	0	0	110.2	K112 G113 L160 L161	C110-K112 PolarHBondContact O-N 3.04Å; C110-G113 PolarHBondContact O-N 3.38Å; C110-L160 HydrophobicContact CB-CB 3.62Å; C110-L160 HydrophobicContact CB-CD1 4.01Å; C110-L160 HydrophobicContact CB-CG 4.39Å; C110-L161 CarbonylContact C-O 3.6Å; C110-L161 WeakPolarHBondContact CB-O 3.31Å
111	P	94	Very high	92.3	Very high	68 Å²	68	32.7 Å²	32.7	44%	0.442	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.7	-166.6	28.1	-35.3	0	0	0	114.3	L109 G113 E163	L109-P111 VanDerWaalsContact O-CD 3.28Å; L109-P111 WeakPolarHBondContact O-CD 3.5Å; P111-G113 VanDerWaalsContact C-N 3.29Å; P111-E163 HydrophobicContact CG-CB 4.39Å; P111-E163 HydrophobicContact CG-CG 3.39Å
112	K	95.3	Very high	92.5	Very high	107 Å²	107	33.7 Å²	33.7	47%	0.465	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	2	172.5	-58.5	-60.3	178.5	-169.3	0	112.8	C110 L161 D162	C110-K112 PolarHBondContact O-N 3.04Å; K112-L161 HydrophobicContact CB-CB 3.6Å; K112-L161 WeakPolarHBondContact CB-O 3.46Å; K112-L161 PolarHBondContact N-O 3.36Å; K112-L161 VanDerWaalsContact N-O 3.16Å; K112-D162 WeakPolarHBondContact CG-O 3.48Å
113	G	94.1	Very high	92.3	Very high	28 Å²	28	32.2 Å²	32.2	29%	0.289	18%	0.181	S	C	.	.			trans	66.6	-150.7	173.6	0	0	0	0	0	112.8	C110 P111 L160 L161	C110-G113 PolarHBondContact O-N 3.38Å; P111-G113 VanDerWaalsContact C-N 3.29Å; G113-L160 CarbonylContact O-C 3.44Å; G113-L160 WeakPolarHBondContact O-CA 3.2Å; G113-L161 PolarHBondContact O-N 2.94Å
114	E	94	Very high	92.3	Very high	44 Å²	44	33.7 Å²	33.7	21%	0.206	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-78.7	145.6	-175.7	-61.4	168.3	-151.1	0	0	112.5	F116 D117 Y118 L160 K391	E114-F116 HydrophobicContact CB-CB 4.34Å; E114-F116 PolarHBondContact O-N 3.16Å; E114-D117 HydrophobicContact CB-CB 4.5Å; E114-D117 PolarHBondContact O-N 2.72Å; E114-Y118 PolarHBondContact O-N 2.87Å; E114-L160 HydrophobicContact CB-CD2 4.44Å; E114-L160 HydrophobicContact CG-CD2 3.8Å; E114-K391 IonicContact OE1-NZ 2.98Å; E114-K391 PolarHBondContact OE1-NZ 3.28Å; E114-K391 WeakPolarHBondContact OE2-CE 3.37Å; E114-K391 IonicContact OE2-NZ 3.69Å; E114-K391 PolarHBondContact OE2-NZ 2.8Å
115	L	95.8	Very high	92.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-30.2	170.6	177.7	60	0	0	0	111.2	Y118 L119 I133 I137 P156 I159 L161 L226	L115-Y118 HydrophobicContact CD1-CD1 4.06Å; L115-Y118 PolarHBondContact O-N 2.92Å; L115-L119 WeakPolarHBondContact O-CB 3.49Å; L115-L119 PolarHBondContact O-N 3.25Å; L115-I133 HydrophobicContact CD1-CD1 3.89Å; L115-I133 HydrophobicContact CD1-CG2 4.44Å; L115-I133 HydrophobicContact CD2-CG2 3.9Å; L115-I137 HydrophobicContact CD2-CD1 4.35Å; L115-P156 HydrophobicContact CB-CB 4.46Å; L115-P156 WeakPolarHBondContact CB-O 3.49Å; L115-P156 HydrophobicContact CG-CB 4.41Å; L115-P156 PolarHBondContact N-O 2.82Å; L115-I159 HydrophobicContact CB-CB 3.91Å; L115-I159 HydrophobicContact CB-CG2 3.9Å; L115-I159 WeakPolarHBondContact CB-O 3.27Å; L115-I159 HydrophobicContact CD2-CB 4Å; L115-I159 HydrophobicContact CD2-CG1 4.46Å; L115-I159 HydrophobicContact CD2-CG2 3.71Å; L115-I159 HydrophobicContact CG-CG2 4.45Å; L115-I159 PolarHBondContact N-O 2.84Å; L115-L161 HydrophobicContact CD1-CD1 4.31Å; L115-L226 HydrophobicContact CD1-CD2 4.14Å; L115-L226 HydrophobicContact CD2-CD1 4.36Å; L115-L226 HydrophobicContact CD2-CD2 4.12Å; L115-L226 HydrophobicContact CG-CD2 4.13Å
116	F	91.7	Very high	92.1	Very high	14 Å²	14	37 Å²	37	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-50.8	172.2	-176.4	-92.5	0	0	0	112.5	E114 Y118 L119 T120 P156 E157 V389 K391 R397	E114-F116 HydrophobicContact CB-CB 4.34Å; E114-F116 PolarHBondContact O-N 3.16Å; F116-Y118 VanDerWaalsContact C-N 3.34Å; F116-L119 PolarHBondContact O-N 2.89Å; F116-T120 WeakPolarHBondContact O-CB 3.49Å; F116-T120 PolarHBondContact O-N 3.38Å; F116-T120 PolarHBondContact O-OG1 3.44Å; F116-P156 HydrophobicContact CB-CB 3.91Å; F116-P156 HydrophobicContact CD2-CB 4.38Å; F116-P156 PolarHBondContact N-O 2.77Å; F116-P156 VanDerWaalsContact N-O 3.1Å; F116-E157 HydrophobicContact CB-CG 3.96Å; F116-E157 HydrophobicContact CD2-CG 4.19Å; F116-E157 HydrophobicContact CG-CG 4.03Å; F116-V389 HydrophobicContact CE1-CG1 4.28Å; F116-V389 HydrophobicContact CZ-CG1 3.82Å; F116-K391 HydrophobicContact CD1-CG 4.48Å; F116-K391 HydrophobicContact CE1-CG 4.24Å; F116-R397 HydrophobicContact CE2-CG 4.13Å; F116-R397 HydrophobicContact CZ-CG 4.14Å
117	D	89.4	Confident	92	Very high	71 Å²	71	38.9 Å²	38.9	38%	0.38	22%	0.221	S	C	.	.	H	α-helix	trans	-66.8	-40	-179.7	-68.8	-31.9	0	0	0	110.4	E114 T120 S121 K391	E114-D117 HydrophobicContact CB-CB 4.5Å; E114-D117 PolarHBondContact O-N 2.72Å; D117-T120 PolarHBondContact O-N 3.34Å; D117-S121 PolarHBondContact O-N 2.91Å; D117-K391 VanDerWaalsContact OD1-CE 3.29Å; D117-K391 WeakPolarHBondContact OD1-CE 3.01Å; D117-K391 IonicContact OD1-NZ 3.29Å; D117-K391 IonicContact OD2-NZ 3.17Å; D117-K391 PolarHBondContact OD2-NZ 3.21Å
118	Y	92	Very high	91.8	Very high	53 Å²	53	43.3 Å²	43.3	21%	0.208	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-50.5	172.7	179.2	-122.2	0	0	0	111.9	E114 L115 F116 T120 S121 V122 L125 L161	E114-Y118 PolarHBondContact O-N 2.87Å; L115-Y118 HydrophobicContact CD1-CD1 4.06Å; L115-Y118 PolarHBondContact O-N 2.92Å; F116-Y118 VanDerWaalsContact C-N 3.34Å; Y118-T120 PolarHBondContact O-N 2.78Å; Y118-S121 PolarHBondContact O-N 2.66Å; Y118-S121 VanDerWaalsContact O-N 3.12Å; Y118-S121 PolarHBondContact O-OG 3.28Å; Y118-V122 HydrophobicContact CE2-CG1 4.11Å; Y118-V122 WeakPolarHBondContact O-CG2 3.49Å; Y118-V122 PolarHBondContact O-N 3.38Å; Y118-L125 HydrophobicContact CD1-CD2 4.35Å; Y118-L125 HydrophobicContact CE1-CD1 4.48Å; Y118-L125 HydrophobicContact CE1-CD2 3.69Å; Y118-L161 HydrophobicContact CD1-CD1 3.8Å; Y118-L161 HydrophobicContact CG-CD1 3.81Å
119	L	90.4	Very high	91.7	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-37.6	176	179.7	66.1	0	0	0	111.4	L115 F116 S121 V122 V123 L125 T225 L226	L115-L119 WeakPolarHBondContact O-CB 3.49Å; L115-L119 PolarHBondContact O-N 3.25Å; F116-L119 PolarHBondContact O-N 2.89Å; L119-S121 VanDerWaalsContact C-N 3.32Å; L119-S121 PolarHBondContact O-N 3.13Å; L119-V122 PolarHBondContact O-N 3.21Å; L119-V123 WeakPolarHBondContact CD1-O 3.45Å; L119-V123 VanDerWaalsContact O-CA 3.29Å; L119-V123 WeakPolarHBondContact O-CA 3.44Å; L119-V123 PolarHBondContact O-N 3.33Å; L119-L125 HydrophobicContact CD1-CG 4.21Å; L119-T225 HydrophobicContact CD2-CG2 3.89Å; L119-L226 HydrophobicContact CD1-CD2 4.28Å; L119-L226 HydrophobicContact CD2-CD2 4.2Å
120	T	85	Confident	91.7	Very high	28 Å²	28	42.1 Å²	42.1	17%	0.172	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-36.5	177.4	-59.5	0	0	0	0	112.8	F116 D117 Y118 V122 F382 R397	F116-T120 WeakPolarHBondContact O-CB 3.49Å; F116-T120 PolarHBondContact O-N 3.38Å; F116-T120 PolarHBondContact O-OG1 3.44Å; D117-T120 PolarHBondContact O-N 3.34Å; Y118-T120 PolarHBondContact O-N 2.78Å; T120-V122 VanDerWaalsContact C-N 3.34Å; T120-V122 PolarHBondContact O-N 3.16Å; T120-F382 HydrophobicContact CG2-CD1 4.25Å; T120-R397 PolarHBondContact OG1-NH1 2.85Å
121	S	85.1	Confident	91.8	Very high	89 Å²	89	42.5 Å²	42.5	62%	0.622	23%	0.233	S	C	*	.	H	α-helix	trans	-68.7	-28.7	176.2	76.8	0	0	0	0	114.3	D117 Y118 L119	D117-S121 PolarHBondContact O-N 2.91Å; Y118-S121 PolarHBondContact O-N 2.66Å; Y118-S121 VanDerWaalsContact O-N 3.12Å; Y118-S121 PolarHBondContact O-OG 3.28Å; L119-S121 VanDerWaalsContact C-N 3.32Å; L119-S121 PolarHBondContact O-N 3.13Å
122	V	84.6	Confident	91.9	Very high	59 Å²	59	41.2 Å²	41.2	36%	0.358	22%	0.224	S	C	.	.	H	α-helix	trans	-113.6	-3.5	-175	-58.4	0	0	0	0	114.6	Y118 L119 T120 T124 L125	Y118-V122 HydrophobicContact CE2-CG1 4.11Å; Y118-V122 WeakPolarHBondContact O-CG2 3.49Å; Y118-V122 PolarHBondContact O-N 3.38Å; L119-V122 PolarHBondContact O-N 3.21Å; T120-V122 VanDerWaalsContact C-N 3.34Å; T120-V122 PolarHBondContact O-N 3.16Å; V122-T124 PolarHBondContact O-N 3.08Å; V122-L125 HydrophobicContact CG2-CD2 3.52Å
123	V	83.8	Confident	92	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.042	20%	0.202	C	C	.	.	S	Bend	trans	66.5	-52.1	-177.6	-171.6	0	0	0	0	115	L119 G229 D378 F382 R397 F401	L119-V123 WeakPolarHBondContact CD1-O 3.45Å; L119-V123 VanDerWaalsContact O-CA 3.29Å; L119-V123 WeakPolarHBondContact O-CA 3.44Å; L119-V123 PolarHBondContact O-N 3.33Å; V123-G229 VanDerWaalsContact O-CA 3.26Å; V123-G229 WeakPolarHBondContact O-CA 3.3Å; V123-D378 HydrophobicContact CG1-CB 3.93Å; V123-F382 HydrophobicContact CB-CD2 4.26Å; V123-F382 HydrophobicContact CG1-CD2 3.73Å; V123-F382 HydrophobicContact CG1-CE2 3.72Å; V123-F382 HydrophobicContact CG2-CB 3.82Å; V123-F382 HydrophobicContact CG2-CD2 3.59Å; V123-F382 HydrophobicContact CG2-CE2 4.37Å; V123-F382 HydrophobicContact CG2-CG 3.76Å; V123-R397 PolarHBondContact O-NH2 3.43Å; V123-F401 HydrophobicContact CG1-CE1 4.38Å; V123-F401 HydrophobicContact CG1-CZ 4.06Å
124	T	89.5	Confident	92.2	Very high	32 Å²	32	34.8 Å²	34.8	20%	0.196	19%	0.188	C	C	.	.	S	Bend	trans	-142	152.5	-179.5	59.9	0	0	0	0	110.6	V122	V122-T124 PolarHBondContact O-N 3.08Å
125	L	92.3	Very high	92.4	Very high	8 Å²	8	36 Å²	36	4%	0.042	19%	0.191	C	C	.	.			trans	-101	146.2	173.4	-61.1	-173.5	0	0	0	111.6	Y118 L119 V122 K129 T130 I133 L226	Y118-L125 HydrophobicContact CD1-CD2 4.35Å; Y118-L125 HydrophobicContact CE1-CD1 4.48Å; Y118-L125 HydrophobicContact CE1-CD2 3.69Å; L119-L125 HydrophobicContact CD1-CG 4.21Å; V122-L125 HydrophobicContact CG2-CD2 3.52Å; L125-K129 HydrophobicContact CD1-CG 4.27Å; L125-K129 HydrophobicContact CD2-CG 4.28Å; L125-T130 WeakPolarHBondContact CB-OG1 3.35Å; L125-I133 HydrophobicContact CD1-CD1 3.61Å; L125-L226 WeakPolarHBondContact CB-O 3.22Å; L125-L226 HydrophobicContact CD1-CB 4.26Å; L125-L226 HydrophobicContact CD1-CD1 4.3Å; L125-L226 HydrophobicContact CD1-CD2 3.83Å; L125-L226 HydrophobicContact CD1-CG 4.34Å; L125-L226 PolarHBondContact N-O 3.4Å
126	S	93	Very high	92.6	Very high	64 Å²	64	36.2 Å²	36.2	45%	0.448	19%	0.192	S	C	.	.			trans	-66.2	149.7	168.4	70.4	0	0	0	0	110.7	K128 K129 T130	S126-K128 PolarHBondContact O-N 3.25Å; S126-K129 PolarHBondContact O-N 3.16Å; S126-K129 PolarHBondContact OG-N 2.66Å; S126-T130 PolarHBondContact O-N 2.83Å; S126-T130 PolarHBondContact O-OG1 2.99Å
127	E	94.5	Very high	92.9	Very high	38 Å²	38	35.6 Å²	35.6	18%	0.178	19%	0.189	C	C	.	.	H	α-helix	trans	-51.4	-36.5	175.3	-70.3	-176.2	-145.2	0	0	113	R131 L227 I260 S261 P264	E127-R131 WeakPolarHBondContact O-CB 3.35Å; E127-R131 PolarHBondContact O-N 2.87Å; E127-L227 HydrophobicContact CG-CD2 4.01Å; E127-I260 HydrophobicContact CG-CD1 4.29Å; E127-I260 WeakPolarHBondContact OE1-CA 3.4Å; E127-S261 PolarHBondContact OE1-N 2.97Å; E127-S261 PolarHBondContact OE1-OG 3.36Å; E127-S261 PolarHBondContact OE2-OG 2.98Å; E127-P264 HydrophobicContact CG-CG 4.47Å
128	K	93.7	Very high	93.3	Very high	108 Å²	108	32.2 Å²	32.2	47%	0.47	17%	0.171	S	C	.	.	H	α-helix	trans	-62.9	-45.8	176.6	-177.6	170.7	-176.2	160.2	0	111.9	S126 T132 E297	S126-K128 PolarHBondContact O-N 3.25Å; K128-T132 PolarHBondContact O-N 2.95Å; K128-T132 PolarHBondContact O-OG1 3.02Å; K128-E297 IonicContact NZ-OE1 3.67Å; K128-E297 PolarHBondContact NZ-OE1 2.89Å; K128-E297 IonicContact NZ-OE2 3.6Å; K128-E297 PolarHBondContact NZ-OE2 2.8Å
129	K	94.9	Very high	93.6	Very high	53 Å²	53	32 Å²	32	23%	0.23	17%	0.172	C	C	.	.	H	α-helix	trans	-70.5	-43.6	178.8	-173.4	67.2	173.1	177.1	0	110.7	L125 S126 R131 T132 I133	L125-K129 HydrophobicContact CD1-CG 4.27Å; L125-K129 HydrophobicContact CD2-CG 4.28Å; S126-K129 PolarHBondContact O-N 3.16Å; S126-K129 PolarHBondContact OG-N 2.66Å; K129-R131 VanDerWaalsContact C-N 3.31Å; K129-R131 PolarHBondContact O-N 2.81Å; K129-T132 PolarHBondContact O-N 3.4Å; K129-I133 HydrophobicContact CD-CD1 4.46Å; K129-I133 HydrophobicContact CG-CD1 4.14Å; K129-I133 PolarHBondContact O-N 3.17Å
130	T	96.9	Very high	94	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.1	-44	174.6	-55.5	0	0	0	0	111.3	L125 S126 T132 I133 M134 M223 L226 L227	L125-T130 WeakPolarHBondContact CB-OG1 3.35Å; S126-T130 PolarHBondContact O-N 2.83Å; S126-T130 PolarHBondContact O-OG1 2.99Å; T130-T132 PolarHBondContact O-N 3.34Å; T130-I133 PolarHBondContact O-N 3.26Å; T130-M134 HydrophobicContact CG2-CG 3.83Å; T130-M134 VanDerWaalsContact O-CB 3.26Å; T130-M134 WeakPolarHBondContact O-CB 3.47Å; T130-M134 VanDerWaalsContact O-CG 3.28Å; T130-M134 WeakPolarHBondContact O-CG 3.4Å; T130-M134 PolarHBondContact O-N 3.13Å; T130-M223 HydrophobicContact CG2-CG 4.29Å; T130-L226 HydrophobicContact CG2-CB 4.07Å; T130-L226 HydrophobicContact CG2-CD1 4.28Å; T130-L227 HydrophobicContact CG2-CD2 3.93Å; T130-L227 HydrophobicContact CG2-CG 4.01Å
131	R	97	Very high	94.7	Very high	20 Å²	20	30.7 Å²	30.7	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-58.1	-45.6	176.4	-176.8	-173.1	-60	116.6	7.8	112.6	E127 K129 R135 F290 F291 Q293	E127-R131 WeakPolarHBondContact O-CB 3.35Å; E127-R131 PolarHBondContact O-N 2.87Å; K129-R131 VanDerWaalsContact C-N 3.31Å; K129-R131 PolarHBondContact O-N 2.81Å; R131-R135 VanDerWaalsContact O-CB 3.27Å; R131-R135 WeakPolarHBondContact O-CB 3.4Å; R131-R135 PolarHBondContact O-N 3.45Å; R131-F290 HydrophobicContact CB-CE1 3.85Å; R131-F290 HydrophobicContact CB-CE2 4.3Å; R131-F290 HydrophobicContact CB-CZ 3.65Å; R131-F290 WeakPolarHBondContact CD-O 3.22Å; R131-F290 HydrophobicContact CG-CD1 4.43Å; R131-F290 HydrophobicContact CG-CE1 4.1Å; R131-F290 HydrophobicContact CG-CZ 4.26Å; R131-F290 PolarHBondContact NE-O 2.84Å; R131-F291 HydrophobicContact CG-CD1 3.79Å; R131-F291 HydrophobicContact CG-CE1 4.3Å; R131-F291 WeakPolarHBondContact O-CE1 3.4Å; R131-Q293 VanDerWaalsContact CZ-OE1 3.29Å
132	T	96.5	Very high	95.3	Very high	42 Å²	42	29.5 Å²	29.5	26%	0.258	15%	0.149	S	C	.	.	H	α-helix	trans	-62.9	-50.4	178.4	-59.8	0	0	0	0	111.1	K128 K129 T130 R135 Q136	K128-T132 PolarHBondContact O-N 2.95Å; K128-T132 PolarHBondContact O-OG1 3.02Å; K129-T132 PolarHBondContact O-N 3.4Å; T130-T132 PolarHBondContact O-N 3.34Å; T132-R135 PolarHBondContact O-N 3.44Å; T132-Q136 WeakPolarHBondContact O-CG 3.49Å; T132-Q136 PolarHBondContact O-N 3.04Å
133	I	98.1	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-51	-179	-68.7	177.4	0	0	0	110.8	L115 L125 K129 T130 R135 Q136 I137 V167 L226	L115-I133 HydrophobicContact CD1-CD1 3.89Å; L115-I133 HydrophobicContact CD1-CG2 4.44Å; L115-I133 HydrophobicContact CD2-CG2 3.9Å; L125-I133 HydrophobicContact CD1-CD1 3.61Å; K129-I133 HydrophobicContact CD-CD1 4.46Å; K129-I133 HydrophobicContact CG-CD1 4.14Å; K129-I133 PolarHBondContact O-N 3.17Å; T130-I133 PolarHBondContact O-N 3.26Å; I133-R135 VanDerWaalsContact C-N 3.29Å; I133-R135 PolarHBondContact O-N 3.38Å; I133-Q136 PolarHBondContact O-N 3.13Å; I133-Q136 VanDerWaalsContact O-N 3.16Å; I133-I137 HydrophobicContact CG2-CD1 3.77Å; I133-I137 HydrophobicContact CG2-CG1 4.4Å; I133-I137 WeakPolarHBondContact O-CG1 3.28Å; I133-I137 PolarHBondContact O-N 3.43Å; I133-V167 HydrophobicContact CB-CG2 4.4Å; I133-V167 HydrophobicContact CG2-CG2 3.79Å; I133-L226 HydrophobicContact CG2-CD1 3.95Å
134	M	98.6	Very high	96.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-35.2	-177.8	-71.1	-52.7	-50.3	0	0	112.2	T130 Q136 I137 F138 C219 I222 M223 L226 F291	T130-M134 HydrophobicContact CG2-CG 3.83Å; T130-M134 VanDerWaalsContact O-CB 3.26Å; T130-M134 WeakPolarHBondContact O-CB 3.47Å; T130-M134 VanDerWaalsContact O-CG 3.28Å; T130-M134 WeakPolarHBondContact O-CG 3.4Å; T130-M134 PolarHBondContact O-N 3.13Å; M134-Q136 VanDerWaalsContact C-N 3.35Å; M134-I137 HydrophobicContact CE-CD1 4.46Å; M134-I137 HydrophobicContact CE-CG2 4.49Å; M134-I137 PolarHBondContact O-N 3.18Å; M134-I137 HydrophobicContact SD-CD1 3.94Å; M134-F138 HydrophobicContact CB-CD2 4.34Å; M134-F138 HydrophobicContact CB-CE2 4.33Å; M134-F138 HydrophobicContact CE-CD2 4.02Å; M134-F138 HydrophobicContact CE-CE2 3.4Å; M134-F138 VanDerWaalsContact CE-CE2 3.4Å; M134-F138 HydrophobicContact CE-CZ 3.85Å; M134-F138 WeakPolarHBondContact O-CD2 3.39Å; M134-F138 PolarHBondContact O-N 3.08Å; M134-C219 HydrophobicContact CE-CB 4.09Å; M134-C219 WeakPolarHBondContact CE-O 3.32Å; M134-I222 HydrophobicContact SD-CG2 3.96Å; M134-M223 HydrophobicContact CE-CB 3.9Å; M134-M223 HydrophobicContact CG-CB 4.08Å; M134-M223 HydrophobicContact CG-CG 3.97Å; M134-M223 HydrophobicContact CG-SD 4.34Å; M134-M223 HydrophobicContact SD-CB 3.83Å; M134-M223 HydrophobicContact SD-CG 4.39Å; M134-L226 HydrophobicContact CG-CD1 4.32Å; M134-L226 HydrophobicContact SD-CD1 3.86Å; M134-F291 HydrophobicContact CB-CE1 4.09Å; M134-F291 HydrophobicContact CB-CZ 4.1Å
135	R	98.3	Very high	97.1	Very high	68 Å²	68	28.6 Å²	28.6	26%	0.257	14%	0.136	S	C	.	.	H	α-helix	trans	-61.1	-46.3	175.2	-175.7	167.3	58	135.3	11.3	111.2	R131 T132 I133 I137 F138 E139 L286 F291 M294	R131-R135 VanDerWaalsContact O-CB 3.27Å; R131-R135 WeakPolarHBondContact O-CB 3.4Å; R131-R135 PolarHBondContact O-N 3.45Å; T132-R135 PolarHBondContact O-N 3.44Å; I133-R135 VanDerWaalsContact C-N 3.29Å; I133-R135 PolarHBondContact O-N 3.38Å; R135-I137 PolarHBondContact O-N 3.25Å; R135-F138 PolarHBondContact O-N 2.93Å; R135-E139 HydrophobicContact CG-CG 4.33Å; R135-E139 WeakPolarHBondContact CG-OE1 3.14Å; R135-E139 WeakPolarHBondContact O-CB 3.05Å; R135-E139 VanDerWaalsContact O-CG 3.28Å; R135-E139 WeakPolarHBondContact O-CG 3.41Å; R135-E139 PolarHBondContact O-N 2.91Å; R135-L286 HydrophobicContact CG-CD2 4.22Å; R135-F291 HydrophobicContact CB-CD1 3.68Å; R135-F291 HydrophobicContact CB-CE1 3.7Å; R135-F291 HydrophobicContact CG-CD1 4.22Å; R135-M294 VanDerWaalsContact CZ-CE 3.43Å; R135-M294 PolarHBondContact NH2-SD 2.86Å
136	Q	98.5	Very high	97.4	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.028	17%	0.166	C	C	.	.	H	α-helix	trans	-64.3	-39.8	178.2	-63.7	179.9	-21.7	0	0	112	Y89 T132 I133 M134 E139 G140 N166 V167	Y89-Q136 HydrophobicContact CD1-CB 3.83Å; Y89-Q136 HydrophobicContact CD1-CG 4.01Å; Y89-Q136 HydrophobicContact CD2-CB 3.97Å; Y89-Q136 HydrophobicContact CD2-CG 4.36Å; Y89-Q136 WeakPolarHBondContact CD2-O 3.48Å; Y89-Q136 HydrophobicContact CE1-CB 3.92Å; Y89-Q136 HydrophobicContact CE1-CG 3.55Å; Y89-Q136 HydrophobicContact CE2-CB 4.06Å; Y89-Q136 HydrophobicContact CE2-CG 3.96Å; Y89-Q136 HydrophobicContact CG-CB 3.87Å; Y89-Q136 HydrophobicContact CG-CG 4.4Å; T132-Q136 WeakPolarHBondContact O-CG 3.49Å; T132-Q136 PolarHBondContact O-N 3.04Å; I133-Q136 PolarHBondContact O-N 3.13Å; I133-Q136 VanDerWaalsContact O-N 3.16Å; M134-Q136 VanDerWaalsContact C-N 3.35Å; Q136-E139 PolarHBondContact O-N 3.26Å; Q136-G140 PolarHBondContact O-N 3.45Å; Q136-N166 PolarHBondContact NE2-OD1 3.17Å; Q136-N166 VanDerWaalsContact OE1-CA 3.3Å; Q136-V167 HydrophobicContact CB-CB 3.85Å; Q136-V167 HydrophobicContact CB-CG1 4.47Å; Q136-V167 HydrophobicContact CB-CG2 4.17Å
137	I	98.8	Very high	97.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.6	-51.4	173.1	-66.9	170.9	0	0	0	110	L115 I133 M134 R135 E139 G140 V141 I159 V167 I222	L115-I137 HydrophobicContact CD2-CD1 4.35Å; I133-I137 HydrophobicContact CG2-CD1 3.77Å; I133-I137 HydrophobicContact CG2-CG1 4.4Å; I133-I137 WeakPolarHBondContact O-CG1 3.28Å; I133-I137 PolarHBondContact O-N 3.43Å; M134-I137 HydrophobicContact CE-CD1 4.46Å; M134-I137 HydrophobicContact CE-CG2 4.49Å; M134-I137 PolarHBondContact O-N 3.18Å; M134-I137 HydrophobicContact SD-CD1 3.94Å; R135-I137 PolarHBondContact O-N 3.25Å; I137-E139 PolarHBondContact O-N 3.43Å; I137-G140 PolarHBondContact O-N 2.84Å; I137-V141 HydrophobicContact CG2-CG2 4.34Å; I137-V141 WeakPolarHBondContact O-CG2 3.42Å; I137-V141 PolarHBondContact O-N 3.45Å; I137-I159 HydrophobicContact CD1-CD1 4.44Å; I137-I159 HydrophobicContact CD1-CG1 4.37Å; I137-I159 HydrophobicContact CD1-CG2 4.47Å; I137-I159 HydrophobicContact CG1-CD1 4.25Å; I137-V167 HydrophobicContact CG1-CG1 3.83Å; I137-V167 HydrophobicContact CG1-CG2 4.05Å; I137-I222 HydrophobicContact CD1-CG2 4.23Å
138	F	98.7	Very high	97.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-34.4	-179.4	-76.2	-62.1	0	0	0	113.1	M134 R135 V141 E142 C219 V282 V285 L286 F291	M134-F138 HydrophobicContact CB-CD2 4.34Å; M134-F138 HydrophobicContact CB-CE2 4.33Å; M134-F138 HydrophobicContact CE-CD2 4.02Å; M134-F138 HydrophobicContact CE-CE2 3.4Å; M134-F138 VanDerWaalsContact CE-CE2 3.4Å; M134-F138 HydrophobicContact CE-CZ 3.85Å; M134-F138 WeakPolarHBondContact O-CD2 3.39Å; M134-F138 PolarHBondContact O-N 3.08Å; R135-F138 PolarHBondContact O-N 2.93Å; F138-V141 PolarHBondContact O-N 3.3Å; F138-E142 WeakPolarHBondContact O-CB 3.2Å; F138-E142 PolarHBondContact O-N 3Å; F138-C219 HydrophobicContact CD1-CB 4.25Å; F138-C219 HydrophobicContact CE1-CB 3.37Å; F138-C219 HydrophobicContact CE2-CB 4.45Å; F138-C219 HydrophobicContact CZ-CB 3.49Å; F138-C219 VanDerWaalsContact CZ-CB 3.49Å; F138-V282 HydrophobicContact CB-CG2 4.24Å; F138-V282 HydrophobicContact CD1-CG2 4.13Å; F138-V282 WeakPolarHBondContact O-CG2 3.32Å; F138-V285 HydrophobicContact CB-CG1 4.28Å; F138-V285 HydrophobicContact CD1-CB 4.34Å; F138-V285 HydrophobicContact CD1-CG1 3.69Å; F138-V285 HydrophobicContact CD2-CG1 3.38Å; F138-V285 HydrophobicContact CE1-CB 4.39Å; F138-V285 HydrophobicContact CE1-CG1 3.73Å; F138-V285 HydrophobicContact CE1-CG2 4.19Å; F138-V285 HydrophobicContact CE2-CG1 3.45Å; F138-V285 VanDerWaalsContact CE2-CG1 3.45Å; F138-V285 HydrophobicContact CG-CG1 3.52Å; F138-V285 HydrophobicContact CZ-CG1 3.62Å; F138-V285 HydrophobicContact CZ-CG2 4.44Å; F138-L286 HydrophobicContact CB-CD2 3.69Å; F138-L286 HydrophobicContact CB-CG 4.17Å; F138-F291 HydrophobicContact CD2-CE2 4.19Å; F138-F291 AromaticContact CD2-CZ 3.77Å; F138-F291 HydrophobicContact CD2-CZ 3.77Å; F138-F291 HydrophobicContact CE2-CZ 4.13Å
139	E	98.6	Very high	97.9	Very high	50 Å²	50	27.5 Å²	27.5	23%	0.234	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-41.3	172.2	-75.4	164.6	167.3	0	0	111	Y89 R135 Q136 I137 Y143 L286	Y89-E139 HydrophobicContact CD2-CB 3.82Å; Y89-E139 HydrophobicContact CE2-CB 4.01Å; Y89-E139 WeakPolarHBondContact CE2-OE2 3.39Å; R135-E139 HydrophobicContact CG-CG 4.33Å; R135-E139 WeakPolarHBondContact CG-OE1 3.14Å; R135-E139 WeakPolarHBondContact O-CB 3.05Å; R135-E139 VanDerWaalsContact O-CG 3.28Å; R135-E139 WeakPolarHBondContact O-CG 3.41Å; R135-E139 PolarHBondContact O-N 2.91Å; Q136-E139 PolarHBondContact O-N 3.26Å; I137-E139 PolarHBondContact O-N 3.43Å; E139-Y143 PolarHBondContact O-N 2.99Å; E139-Y143 VanDerWaalsContact O-N 3.13Å; E139-L286 HydrophobicContact CG-CD1 4.19Å; E139-L286 HydrophobicContact CG-CD2 3.89Å
140	G	98.6	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.3	-42.9	172.1	0	0	0	0	0	113.2	Q136 I137 Y143 I144	Q136-G140 PolarHBondContact O-N 3.45Å; I137-G140 PolarHBondContact O-N 2.84Å; G140-Y143 WeakPolarHBondContact O-CB 3.28Å; G140-Y143 PolarHBondContact O-N 3.18Å; G140-I144 PolarHBondContact O-N 2.85Å; G140-I144 VanDerWaalsContact O-N 3.15Å
141	V	98.8	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.4	-42.7	176.6	172	0	0	0	0	111.3	I137 F138 Y143 I144 H145 L154 I169 D215 I216 V282	I137-V141 HydrophobicContact CG2-CG2 4.34Å; I137-V141 WeakPolarHBondContact O-CG2 3.42Å; I137-V141 PolarHBondContact O-N 3.45Å; F138-V141 PolarHBondContact O-N 3.3Å; V141-Y143 VanDerWaalsContact C-N 3.27Å; V141-Y143 PolarHBondContact O-N 3.07Å; V141-I144 VanDerWaalsContact O-CG1 3.24Å; V141-I144 WeakPolarHBondContact O-CG1 3.38Å; V141-I144 PolarHBondContact O-N 3.2Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.46Å; V141-H145 VanDerWaalsContact O-CB 3.27Å; V141-H145 WeakPolarHBondContact O-CB 3.33Å; V141-H145 PolarHBondContact O-CD2 3.45Å; V141-H145 VanDerWaalsContact O-CG 3.23Å; V141-H145 PolarHBondContact O-N 2.88Å; V141-L154 HydrophobicContact CG2-CD1 3.74Å; V141-I169 HydrophobicContact CG2-CD1 4.23Å; V141-D215 HydrophobicContact CG1-CB 4.3Å; V141-I216 HydrophobicContact CG1-CD1 4.19Å; V141-V282 HydrophobicContact CB-CG2 4.42Å; V141-V282 HydrophobicContact CG1-CG2 4.25Å
142	E	98.6	Very high	98.1	Very high	65 Å²	65	25.4 Å²	25.4	30%	0.304	14%	0.135	S	C	.	.	H	α-helix	trans	-57.4	-43.8	175	-177	178	-129.5	0	0	111.1	F138 H145 A146 V282 K283 L286	F138-E142 WeakPolarHBondContact O-CB 3.2Å; F138-E142 PolarHBondContact O-N 3Å; E142-H145 PolarHBondContact O-N 2.84Å; E142-A146 WeakPolarHBondContact O-CB 3.36Å; E142-A146 PolarHBondContact O-N 2.71Å; E142-V282 HydrophobicContact CB-CB 4.49Å; E142-V282 HydrophobicContact CB-CG1 3.94Å; E142-V282 HydrophobicContact CB-CG2 3.74Å; E142-V282 HydrophobicContact CG-CG1 4.07Å; E142-K283 WeakPolarHBondContact OE1-CG 3.32Å; E142-L286 HydrophobicContact CB-CD1 4.25Å; E142-L286 WeakPolarHBondContact OE2-CD1 3.45Å
143	Y	98.6	Very high	98.1	Very high	59 Å²	59	23.6 Å²	23.6	23%	0.231	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-42.5	-179.1	175	-98.1	0	0	0	113.5	V84 M85 H87 I90 E139 G140 V141 K147	V84-Y143 HydrophobicContact CB-CE1 4.02Å; V84-Y143 VanDerWaalsContact O-CE1 3.24Å; V84-Y143 WeakPolarHBondContact O-CE1 3.45Å; M85-Y143 PolarHBondContact O-OH 3.36Å; H87-Y143 HydrophobicContact CB-CD1 3.67Å; H87-Y143 HydrophobicContact CB-CD2 4.29Å; H87-Y143 HydrophobicContact CB-CE1 3.52Å; H87-Y143 HydrophobicContact CB-CE2 4.14Å; H87-Y143 HydrophobicContact CB-CG 4.04Å; H87-Y143 AromaticContact CD2-CD1 3.92Å; H87-Y143 AromaticContact CD2-CD2 3.39Å; H87-Y143 WeakPolarHBondContact CD2-CD2 3.39Å; H87-Y143 AromaticContact CD2-CE2 3.91Å; H87-Y143 AromaticContact CD2-CG 3.37Å; H87-Y143 AromaticContact CG-CD1 3.72Å; H87-Y143 AromaticContact CG-CG 3.67Å; H87-Y143 AromaticContact NE2-CG 3.98Å; I90-Y143 HydrophobicContact CG1-CD1 4.12Å; I90-Y143 HydrophobicContact CG1-CE1 4.5Å; E139-Y143 PolarHBondContact O-N 2.99Å; E139-Y143 VanDerWaalsContact O-N 3.13Å; G140-Y143 WeakPolarHBondContact O-CB 3.28Å; G140-Y143 PolarHBondContact O-N 3.18Å; V141-Y143 VanDerWaalsContact C-N 3.27Å; V141-Y143 PolarHBondContact O-N 3.07Å; Y143-K147 VanDerWaalsContact CE1-NZ 3.32Å; Y143-K147 PolarHBondContact OH-NZ 3.38Å; Y143-K147 VanDerWaalsContact OH-NZ 3.13Å
144	I	98.4	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-73.8	-36.5	176.5	64.8	174.5	0	0	0	111	V84 I90 G140 V141 A146 K147 I149 H151 F172	V84-I144 HydrophobicContact CB-CG2 4.31Å; V84-I144 HydrophobicContact CG1-CG2 3.84Å; I90-I144 HydrophobicContact CD1-CG2 3.92Å; I90-I144 HydrophobicContact CG1-CG2 4.4Å; G140-I144 PolarHBondContact O-N 2.85Å; G140-I144 VanDerWaalsContact O-N 3.15Å; V141-I144 VanDerWaalsContact O-CG1 3.24Å; V141-I144 WeakPolarHBondContact O-CG1 3.38Å; V141-I144 PolarHBondContact O-N 3.2Å; I144-A146 VanDerWaalsContact C-N 3.3Å; I144-A146 PolarHBondContact O-N 2.9Å; I144-K147 PolarHBondContact O-N 2.86Å; I144-I149 CarbonylContact C-O 3.56Å; I144-I149 HydrophobicContact CB-CB 4.27Å; I144-I149 HydrophobicContact CB-CG2 4.39Å; I144-I149 WeakPolarHBondContact O-CB 3.22Å; I144-I149 PolarHBondContact O-N 2.94Å; I144-H151 HydrophobicContact CD1-CB 3.99Å; I144-F172 HydrophobicContact CD1-CE1 4.46Å; I144-F172 HydrophobicContact CG2-CE1 4.14Å; I144-F172 HydrophobicContact CG2-CZ 4.34Å
145	H	97.9	Very high	97.9	Very high	20 Å²	20	25.1 Å²	25.1	9%	0.093	13%	0.13	C	C	.	.	H	α-helix	trans	-65	-35.8	177.5	-75.6	-171.1	0	0	0	111.9	V141 E142 K147 S148 I149 Q212 D215	V141-H145 WeakPolarHBondContact CG1-CE1 3.46Å; V141-H145 VanDerWaalsContact O-CB 3.27Å; V141-H145 WeakPolarHBondContact O-CB 3.33Å; V141-H145 PolarHBondContact O-CD2 3.45Å; V141-H145 VanDerWaalsContact O-CG 3.23Å; V141-H145 PolarHBondContact O-N 2.88Å; E142-H145 PolarHBondContact O-N 2.84Å; H145-K147 PolarHBondContact O-N 3.47Å; H145-K147 VanDerWaalsContact O-N 3.14Å; H145-S148 PolarHBondContact O-N 3.13Å; H145-I149 PolarHBondContact CD2-O 2.83Å; H145-I149 VanDerWaalsContact CD2-O 3.27Å; H145-Q212 PolarHBondContact CE1-O 2.99Å; H145-Q212 PolarHBondContact O-NE2 3.02Å; H145-D215 IonicContact CD2-OD2 3.39Å; H145-D215 IonicContact CE1-OD2 2.66Å; H145-D215 IonicContact NE2-OD2 3.67Å; H145-D215 PolarHBondContact NE2-OD2 3.24Å
146	A	97.5	Very high	97.8	Very high	82 Å²	82	22 Å²	22	68%	0.678	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.7	174.2	0	0	0	0	0	114	E142 I144	E142-A146 WeakPolarHBondContact O-CB 3.36Å; E142-A146 PolarHBondContact O-N 2.71Å; I144-A146 VanDerWaalsContact C-N 3.3Å; I144-A146 PolarHBondContact O-N 2.9Å
147	K	97.6	Very high	97.5	Very high	57 Å²	57	23.3 Å²	23.3	25%	0.248	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	13	173.8	-65.1	-178	-179	59.4	0	113.2	Q83 V84 Y143 I144 H145 I149 Q177	Q83-K147 WeakPolarHBondContact O-CE 3.26Å; V84-K147 HydrophobicContact CG1-CD 4.38Å; Y143-K147 VanDerWaalsContact CE1-NZ 3.32Å; Y143-K147 PolarHBondContact OH-NZ 3.38Å; Y143-K147 VanDerWaalsContact OH-NZ 3.13Å; I144-K147 PolarHBondContact O-N 2.86Å; H145-K147 PolarHBondContact O-N 3.47Å; H145-K147 VanDerWaalsContact O-N 3.14Å; K147-I149 HydrophobicContact CB-CD1 3.83Å; K147-I149 HydrophobicContact CB-CG1 4.15Å; K147-I149 HydrophobicContact CD-CD1 4.36Å; K147-I149 PolarHBondContact O-N 2.89Å; K147-Q177 PolarHBondContact O-NE2 2.91Å
148	S	97.4	Very high	97.4	Very high	56 Å²	56	23.9 Å²	23.9	39%	0.392	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	25.7	-172.4	-53.5	0	0	0	0	113.4	H145 L178	H145-S148 PolarHBondContact O-N 3.13Å; S148-L178 VanDerWaalsContact CB-O 3.26Å; S148-L178 WeakPolarHBondContact CB-O 3.48Å; S148-L178 PolarHBondContact O-N 2.58Å
149	I	98.2	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.5	177.5	-63.6	163.1	0	0	0	108.7	I80 Q83 V84 I144 H145 K147 A175 K176 Q177	I80-I149 HydrophobicContact CG2-CD1 4.28Å; I80-I149 HydrophobicContact CG2-CG2 4.06Å; Q83-I149 HydrophobicContact CB-CD1 4.48Å; V84-I149 HydrophobicContact CG1-CD1 3.54Å; I144-I149 CarbonylContact C-O 3.56Å; I144-I149 HydrophobicContact CB-CB 4.27Å; I144-I149 HydrophobicContact CB-CG2 4.39Å; I144-I149 WeakPolarHBondContact O-CB 3.22Å; I144-I149 PolarHBondContact O-N 2.94Å; H145-I149 PolarHBondContact CD2-O 2.83Å; H145-I149 VanDerWaalsContact CD2-O 3.27Å; K147-I149 HydrophobicContact CB-CD1 3.83Å; K147-I149 HydrophobicContact CB-CG1 4.15Å; K147-I149 HydrophobicContact CD-CD1 4.36Å; K147-I149 PolarHBondContact O-N 2.89Å; I149-A175 HydrophobicContact CG2-CB 4.31Å; I149-K176 WeakPolarHBondContact CA-O 3.25Å; I149-Q177 HydrophobicContact CG1-CB 4.1Å; I149-Q177 HydrophobicContact CG1-CG 4.19Å
150	V	97.9	Very high	97.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.7	170.8	57.9	0	0	0	0	109.1	R152 A175 K176 L178 L184 Q212 V214 D215	V150-R152 HydrophobicContact CB-CG 4.37Å; V150-R152 HydrophobicContact CG1-CG 3.99Å; V150-R152 HydrophobicContact CG2-CG 3.66Å; V150-A175 CarbonylContact O-C 3.55Å; V150-A175 WeakPolarHBondContact O-CA 3.42Å; V150-K176 HydrophobicContact CG1-CB 4.46Å; V150-K176 WeakPolarHBondContact CG1-O 3.45Å; V150-K176 PolarHBondContact N-O 3.32Å; V150-K176 PolarHBondContact O-N 3.3Å; V150-L178 HydrophobicContact CG1-CD1 4.19Å; V150-L178 HydrophobicContact CG1-CD2 4.25Å; V150-L178 HydrophobicContact CG1-CG 4.15Å; V150-L184 HydrophobicContact CG1-CD1 3.7Å; V150-Q212 HydrophobicContact CB-CG 4.33Å; V150-V214 HydrophobicContact CG2-CG2 3.66Å; V150-D215 WeakPolarHBondContact CG2-OD2 3.38Å
151	H	98.3	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.			trans	-82.1	-43.2	-174.8	-173	-48.5	0	0	0	112.9	I144 D153 L154 T170 D171 F174 D215	I144-H151 HydrophobicContact CD1-CB 3.99Å; H151-D153 PolarHBondContact ND1-N 3.49Å; H151-D153 PolarHBondContact O-N 3.24Å; H151-D153 VanDerWaalsContact O-N 3.13Å; H151-L154 HydrophobicContact CB-CD1 4.49Å; H151-L154 HydrophobicContact CB-CD2 4.29Å; H151-L154 HydrophobicContact CB-CG 4.02Å; H151-L154 VanDerWaalsContact CD2-CD2 3.48Å; H151-L154 WeakPolarHBondContact CD2-CD2 3.31Å; H151-T170 PolarHBondContact NE2-O 2.77Å; H151-D171 PolarHBondContact CE1-O 2.69Å; H151-F174 CarbonylContact O-C 3.6Å; H151-D215 PolarHBondContact N-OD1 2.76Å; H151-D215 PolarHBondContact N-OD2 3.38Å
152	R	96.7	Very high	97.1	Very high	29 Å²	29	24.6 Å²	24.6	11%	0.109	13%	0.133	C	C	.	.	S	Bend	trans	67.1	-1.8	176	-52.5	-169.5	-70.7	175.7	-1.8	118	V150 F174 N186 C188 Y210 V214 D215	V150-R152 HydrophobicContact CB-CG 4.37Å; V150-R152 HydrophobicContact CG1-CG 3.99Å; V150-R152 HydrophobicContact CG2-CG 3.66Å; R152-F174 HydrophobicContact CB-CB 4.44Å; R152-F174 PolarHBondContact NE-O 3.13Å; R152-F174 PolarHBondContact NH2-O 3.31Å; R152-N186 PolarHBondContact NH1-ND2 3.22Å; R152-N186 VanDerWaalsContact NH1-ND2 3.12Å; R152-N186 PolarHBondContact NH1-OD1 2.97Å; R152-C188 VanDerWaalsContact CZ-SG 3.55Å; R152-Y210 HydrophobicContact CG-CE2 4.37Å; R152-Y210 PolarHBondContact NH1-OH 2.82Å; R152-V214 HydrophobicContact CG-CG2 4.48Å; R152-D215 PolarHBondContact N-OD1 2.66Å
153	D	95.9	Very high	96.8	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	15%	0.15	C	C	.	.			trans	-145.6	43	176.5	-162.8	41.1	0	0	0	111.7	H151 K155 N158 F174 G189 T190	H151-D153 PolarHBondContact ND1-N 3.49Å; H151-D153 PolarHBondContact O-N 3.24Å; H151-D153 VanDerWaalsContact O-N 3.13Å; D153-K155 PolarHBondContact O-N 3.37Å; D153-K155 IonicContact OD1-NZ 2.7Å; D153-K155 IonicContact OD2-NZ 2.88Å; D153-K155 PolarHBondContact OD2-NZ 2.9Å; D153-N158 PolarHBondContact O-ND2 3.25Å; D153-N158 PolarHBondContact OD2-ND2 3.4Å; D153-N158 VanDerWaalsContact OD2-ND2 3.12Å; D153-F174 HydrophobicContact CB-CB 4.29Å; D153-F174 HydrophobicContact CB-CD2 3.72Å; D153-F174 HydrophobicContact CB-CG 4.37Å; D153-G189 WeakPolarHBondContact OD1-CA 3.4Å; D153-T190 WeakPolarHBondContact OD1-CB 3.42Å; D153-T190 PolarHBondContact OD1-N 3.48Å; D153-T190 PolarHBondContact OD1-OG1 3.17Å
154	L	98.1	Very high	96.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.17	C	C	.	.			trans	-70.2	121.1	172.8	-71.4	172.8	0	0	0	110.1	V141 H151 I159 I169 D215 A218 I222	V141-L154 HydrophobicContact CG2-CD1 3.74Å; H151-L154 HydrophobicContact CB-CD1 4.49Å; H151-L154 HydrophobicContact CB-CD2 4.29Å; H151-L154 HydrophobicContact CB-CG 4.02Å; H151-L154 VanDerWaalsContact CD2-CD2 3.48Å; H151-L154 WeakPolarHBondContact CD2-CD2 3.31Å; L154-I159 HydrophobicContact CD2-CD1 4.48Å; L154-I169 HydrophobicContact CD2-CG2 3.91Å; L154-D215 HydrophobicContact CD1-CB 3.67Å; L154-A218 HydrophobicContact CB-CB 3.84Å; L154-I222 HydrophobicContact CB-CD1 4.23Å
155	K	95.6	Very high	96.3	Very high	31 Å²	31	34 Å²	34	14%	0.135	18%	0.183	C	C	.	.			trans	-157.2	160.5	177.6	62.4	-169.8	-175.3	-145.5	0	109.6	D153 E157 N158 I159 T190 Y193	D153-K155 PolarHBondContact O-N 3.37Å; D153-K155 IonicContact OD1-NZ 2.7Å; D153-K155 IonicContact OD2-NZ 2.88Å; D153-K155 PolarHBondContact OD2-NZ 2.9Å; K155-E157 WeakPolarHBondContact CB-OE2 3.49Å; K155-E157 HydrophobicContact CD-CB 4.34Å; K155-E157 HydrophobicContact CG-CB 4.09Å; K155-E157 VanDerWaalsContact CG-OE2 3.28Å; K155-E157 WeakPolarHBondContact CG-OE2 3.3Å; K155-E157 PolarHBondContact O-N 3.35Å; K155-E157 VanDerWaalsContact O-N 3.09Å; K155-N158 HydrophobicContact CG-CB 4.1Å; K155-N158 PolarHBondContact O-N 3.02Å; K155-I159 WeakPolarHBondContact O-CG1 3.42Å; K155-I159 PolarHBondContact O-N 2.91Å; K155-T190 HydrophobicContact CD-CG2 4.37Å; K155-T190 VanDerWaalsContact CD-OG1 3.3Å; K155-T190 WeakPolarHBondContact CD-OG1 3.38Å; K155-T190 PolarHBondContact NZ-OG1 3.49Å; K155-Y193 HydrophobicContact CB-CD1 4.19Å; K155-Y193 HydrophobicContact CB-CD2 3.76Å; K155-Y193 HydrophobicContact CB-CE1 4.11Å; K155-Y193 HydrophobicContact CB-CE2 3.64Å; K155-Y193 HydrophobicContact CB-CG 4.05Å
156	P	95.4	Very high	96.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-56.9	-24.8	-178.7	-25.6	36.6	0	0	0	114.9	L115 F116 N158 I159 Y193 I222	L115-P156 HydrophobicContact CB-CB 4.46Å; L115-P156 WeakPolarHBondContact CB-O 3.49Å; L115-P156 HydrophobicContact CG-CB 4.41Å; L115-P156 PolarHBondContact N-O 2.82Å; F116-P156 HydrophobicContact CB-CB 3.91Å; F116-P156 HydrophobicContact CD2-CB 4.38Å; F116-P156 PolarHBondContact N-O 2.77Å; F116-P156 VanDerWaalsContact N-O 3.1Å; P156-N158 VanDerWaalsContact C-N 3.34Å; P156-I159 PolarHBondContact O-N 2.82Å; P156-Y193 VanDerWaalsContact CD-CZ 3.46Å; P156-Y193 WeakPolarHBondContact CD-OH 3.29Å; P156-I222 HydrophobicContact CG-CG1 4.34Å
157	E	92.8	Very high	96.2	Very high	34 Å²	34	31.5 Å²	31.5	16%	0.159	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-69.5	-31.9	174.4	-57.9	89	148.5	0	0	111.8	F116 K155 I159	F116-E157 HydrophobicContact CB-CG 3.96Å; F116-E157 HydrophobicContact CD2-CG 4.19Å; F116-E157 HydrophobicContact CG-CG 4.03Å; K155-E157 WeakPolarHBondContact CB-OE2 3.49Å; K155-E157 HydrophobicContact CD-CB 4.34Å; K155-E157 HydrophobicContact CG-CB 4.09Å; K155-E157 VanDerWaalsContact CG-OE2 3.28Å; K155-E157 WeakPolarHBondContact CG-OE2 3.3Å; K155-E157 PolarHBondContact O-N 3.35Å; K155-E157 VanDerWaalsContact O-N 3.09Å; E157-I159 VanDerWaalsContact C-N 3.3Å; E157-I159 PolarHBondContact O-N 2.94Å
158	N	95.8	Very high	96.2	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.064	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-93.9	15.2	179	-67.7	-3.6	0	0	0	112.4	D153 K155 P156 T170 D171	D153-N158 PolarHBondContact O-ND2 3.25Å; D153-N158 PolarHBondContact OD2-ND2 3.4Å; D153-N158 VanDerWaalsContact OD2-ND2 3.12Å; K155-N158 HydrophobicContact CG-CB 4.1Å; K155-N158 PolarHBondContact O-N 3.02Å; P156-N158 VanDerWaalsContact C-N 3.34Å; N158-T170 WeakPolarHBondContact O-CG2 3.23Å; N158-T170 PolarHBondContact O-N 2.85Å; N158-D171 HydrophobicContact CB-CB 4.44Å
159	I	98.2	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	109.6	173.2	-58.4	-61.9	0	0	0	108.1	L115 I137 L154 K155 P156 E157 V167 I169	L115-I159 HydrophobicContact CB-CB 3.91Å; L115-I159 HydrophobicContact CB-CG2 3.9Å; L115-I159 WeakPolarHBondContact CB-O 3.27Å; L115-I159 HydrophobicContact CD2-CB 4Å; L115-I159 HydrophobicContact CD2-CG1 4.46Å; L115-I159 HydrophobicContact CD2-CG2 3.71Å; L115-I159 HydrophobicContact CG-CG2 4.45Å; L115-I159 PolarHBondContact N-O 2.84Å; I137-I159 HydrophobicContact CD1-CD1 4.44Å; I137-I159 HydrophobicContact CD1-CG1 4.37Å; I137-I159 HydrophobicContact CD1-CG2 4.47Å; I137-I159 HydrophobicContact CG1-CD1 4.25Å; L154-I159 HydrophobicContact CD2-CD1 4.48Å; K155-I159 WeakPolarHBondContact O-CG1 3.42Å; K155-I159 PolarHBondContact O-N 2.91Å; P156-I159 PolarHBondContact O-N 2.82Å; E157-I159 VanDerWaalsContact C-N 3.3Å; E157-I159 PolarHBondContact O-N 2.94Å; I159-V167 HydrophobicContact CG2-CB 4.34Å; I159-V167 HydrophobicContact CG2-CG1 3.81Å; I159-V167 HydrophobicContact CG2-CG2 3.98Å; I159-I169 HydrophobicContact CD1-CB 4.3Å; I159-I169 HydrophobicContact CD1-CG1 3.7Å; I159-I169 HydrophobicContact CD1-CG2 4.42Å
160	L	97.5	Very high	96.2	Very high	35 Å²	35	27.9 Å²	27.9	18%	0.183	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	161	176.7	-57.5	-179.3	0	0	0	111.5	I91 C110 G113 E114 V167 K168 T170	I91-L160 HydrophobicContact CD1-CD1 4.27Å; C110-L160 HydrophobicContact CB-CB 3.62Å; C110-L160 HydrophobicContact CB-CD1 4.01Å; C110-L160 HydrophobicContact CB-CG 4.39Å; G113-L160 CarbonylContact O-C 3.44Å; G113-L160 WeakPolarHBondContact O-CA 3.2Å; E114-L160 HydrophobicContact CB-CD2 4.44Å; E114-L160 HydrophobicContact CG-CD2 3.8Å; L160-V167 CarbonylContact O-C 3.6Å; L160-V167 WeakPolarHBondContact O-CA 3.37Å; L160-K168 HydrophobicContact CB-CB 4.28Å; L160-K168 PolarHBondContact N-O 3.49Å; L160-K168 PolarHBondContact O-N 3.39Å; L160-T170 HydrophobicContact CD1-CG2 3.91Å; L160-T170 HydrophobicContact CD2-CG2 4.39Å; L160-T170 HydrophobicContact CG-CG2 3.71Å
161	L	97.8	Very high	95.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.1	179.2	-64	177.6	0	0	0	110.8	C110 K112 G113 L115 Y118 N166 V167	C110-L161 CarbonylContact C-O 3.6Å; C110-L161 WeakPolarHBondContact CB-O 3.31Å; K112-L161 HydrophobicContact CB-CB 3.6Å; K112-L161 WeakPolarHBondContact CB-O 3.46Å; K112-L161 PolarHBondContact N-O 3.36Å; K112-L161 VanDerWaalsContact N-O 3.16Å; G113-L161 PolarHBondContact O-N 2.94Å; L115-L161 HydrophobicContact CD1-CD1 4.31Å; Y118-L161 HydrophobicContact CD1-CD1 3.8Å; Y118-L161 HydrophobicContact CG-CD1 3.81Å; L161-N166 WeakPolarHBondContact CA-O 3.46Å; L161-V167 HydrophobicContact CD2-CG2 4.39Å
162	D	95	Very high	95.7	Very high	30 Å²	30	30 Å²	30	16%	0.16	15%	0.149	C	C	.	.			trans	-73.4	-179.8	173	80.7	-0.5	0	0	0	111.8	K112 N164 H165 N166	K112-D162 WeakPolarHBondContact CG-O 3.48Å; D162-N164 PolarHBondContact O-N 3.1Å; D162-N164 VanDerWaalsContact O-N 3.11Å; D162-N164 VanDerWaalsContact OD1-C 3.25Å; D162-N164 VanDerWaalsContact OD1-CA 3.26Å; D162-N164 WeakPolarHBondContact OD1-CA 3.45Å; D162-N164 WeakPolarHBondContact OD1-CB 3.45Å; D162-N164 PolarHBondContact OD1-N 3.34Å; D162-H165 PolarHBondContact O-N 2.81Å; D162-H165 PolarHBondContact OD1-N 3.07Å; D162-N166 PolarHBondContact N-O 2.76Å; D162-N166 PolarHBondContact OD1-N 3.12Å; D162-N166 PolarHBondContact OD1-ND2 3.32Å; D162-N166 WeakPolarHBondContact OD2-CB 3.36Å; D162-N166 PolarHBondContact OD2-ND2 2.97Å
163	E	92.8	Very high	95.5	Very high	143 Å²	143	30.2 Å²	30.2	67%	0.668	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-33.3	177.5	-67.2	-177.8	167.5	0	0	114.1	P111	P111-E163 HydrophobicContact CG-CB 4.39Å; P111-E163 HydrophobicContact CG-CG 3.39Å
164	N	93	Very high	95.3	Very high	120 Å²	120	34.2 Å²	34.2	64%	0.642	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	4.9	-178	-62.3	-57.8	0	0	0	112.9	D162 N166	D162-N164 PolarHBondContact O-N 3.1Å; D162-N164 VanDerWaalsContact O-N 3.11Å; D162-N164 VanDerWaalsContact OD1-C 3.25Å; D162-N164 VanDerWaalsContact OD1-CA 3.26Å; D162-N164 WeakPolarHBondContact OD1-CA 3.45Å; D162-N164 WeakPolarHBondContact OD1-CB 3.45Å; D162-N164 PolarHBondContact OD1-N 3.34Å; N164-N166 WeakPolarHBondContact CB-ND2 3.36Å; N164-N166 PolarHBondContact O-N 2.87Å
165	H	92.6	Very high	95.2	Very high	59 Å²	59	34.2 Å²	34.2	27%	0.273	18%	0.178	S	C	.	.			trans	59.6	32.1	-171.6	-51	64.8	0	0	0	113.4	D162	D162-H165 PolarHBondContact O-N 2.81Å; D162-H165 PolarHBondContact OD1-N 3.07Å
166	N	96.1	Very high	95.2	Very high	49 Å²	49	35.5 Å²	35.5	26%	0.262	18%	0.183	S	C	.	.			trans	-79.7	149.8	162.3	-54.4	-58.4	0	0	0	109.9	Q136 L161 D162 N164	Q136-N166 PolarHBondContact NE2-OD1 3.17Å; Q136-N166 VanDerWaalsContact OE1-CA 3.3Å; L161-N166 WeakPolarHBondContact CA-O 3.46Å; D162-N166 PolarHBondContact N-O 2.76Å; D162-N166 PolarHBondContact OD1-N 3.12Å; D162-N166 PolarHBondContact OD1-ND2 3.32Å; D162-N166 WeakPolarHBondContact OD2-CB 3.36Å; D162-N166 PolarHBondContact OD2-ND2 2.97Å; N164-N166 WeakPolarHBondContact CB-ND2 3.36Å; N164-N166 PolarHBondContact O-N 2.87Å
167	V	97.8	Very high	95.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.1	-179.9	160.9	0	0	0	0	111.6	Y89 I133 Q136 I137 I159 L160 L161 I169	Y89-V167 WeakPolarHBondContact CA-O 3.38Å; Y89-V167 WeakPolarHBondContact CD1-O 3.35Å; I133-V167 HydrophobicContact CB-CG2 4.4Å; I133-V167 HydrophobicContact CG2-CG2 3.79Å; Q136-V167 HydrophobicContact CB-CB 3.85Å; Q136-V167 HydrophobicContact CB-CG1 4.47Å; Q136-V167 HydrophobicContact CB-CG2 4.17Å; I137-V167 HydrophobicContact CG1-CG1 3.83Å; I137-V167 HydrophobicContact CG1-CG2 4.05Å; I159-V167 HydrophobicContact CG2-CB 4.34Å; I159-V167 HydrophobicContact CG2-CG1 3.81Å; I159-V167 HydrophobicContact CG2-CG2 3.98Å; L160-V167 CarbonylContact O-C 3.6Å; L160-V167 WeakPolarHBondContact O-CA 3.37Å; L161-V167 HydrophobicContact CD2-CG2 4.39Å; V167-I169 HydrophobicContact CG1-CG1 4.18Å
168	K	98.3	Very high	95.4	Very high	16 Å²	16	38.4 Å²	38.4	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	109.9	163.6	-67.6	-69.4	-169.9	154.7	0	108.8	P88 I90 I91 E108 L160	P88-K168 WeakPolarHBondContact O-CD 3.42Å; P88-K168 WeakPolarHBondContact O-CE 3.27Å; P88-K168 PolarHBondContact O-NZ 2.88Å; I90-K168 PolarHBondContact O-NZ 2.77Å; I91-K168 HydrophobicContact CD1-CB 4.24Å; E108-K168 VanDerWaalsContact CD-NZ 3.26Å; E108-K168 WeakPolarHBondContact OE1-CD 3.46Å; E108-K168 VanDerWaalsContact OE1-CE 3.25Å; E108-K168 WeakPolarHBondContact OE1-CE 3.46Å; E108-K168 IonicContact OE1-NZ 3.73Å; E108-K168 PolarHBondContact OE1-NZ 2.89Å; E108-K168 VanDerWaalsContact OE2-CE 3.26Å; E108-K168 WeakPolarHBondContact OE2-CE 3.31Å; E108-K168 IonicContact OE2-NZ 3.9Å; E108-K168 PolarHBondContact OE2-NZ 2.74Å; L160-K168 HydrophobicContact CB-CB 4.28Å; L160-K168 PolarHBondContact N-O 3.49Å; L160-K168 PolarHBondContact O-N 3.39Å
169	I	98.6	Very high	95.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.4	173.4	-58.1	176	0	0	0	108.1	Y89 I90 I91 V141 L154 I159 V167 F172	Y89-I169 WeakPolarHBondContact O-CG1 3.37Å; Y89-I169 PolarHBondContact O-N 2.76Å; I90-I169 HydrophobicContact CD1-CB 3.87Å; I90-I169 HydrophobicContact CD1-CD1 3.93Å; I90-I169 HydrophobicContact CD1-CG1 4.27Å; I90-I169 HydrophobicContact CD1-CG2 4.5Å; I91-I169 WeakPolarHBondContact CB-O 3.47Å; I91-I169 WeakPolarHBondContact CG2-O 3.4Å; I91-I169 PolarHBondContact N-O 3.5Å; V141-I169 HydrophobicContact CG2-CD1 4.23Å; L154-I169 HydrophobicContact CD2-CG2 3.91Å; I159-I169 HydrophobicContact CD1-CB 4.3Å; I159-I169 HydrophobicContact CD1-CG1 3.7Å; I159-I169 HydrophobicContact CD1-CG2 4.42Å; V167-I169 HydrophobicContact CG1-CG1 4.18Å; I169-F172 HydrophobicContact CG2-CE2 4.37Å; I169-F172 HydrophobicContact CG2-CZ 4.23Å
170	T	96.3	Very high	95	Very high	21 Å²	21	55 Å²	55	13%	0.129	27%	0.274	C	S	.	.			trans	-132.4	178.3	-177	-166.8	0	0	0	0	111.6	H151 N158 L160	H151-T170 PolarHBondContact NE2-O 2.77Å; N158-T170 WeakPolarHBondContact O-CG2 3.23Å; N158-T170 PolarHBondContact O-N 2.85Å; L160-T170 HydrophobicContact CD1-CG2 3.91Å; L160-T170 HydrophobicContact CD2-CG2 4.39Å; L160-T170 HydrophobicContact CG-CG2 3.71Å
171	D	91.3	Very high	94.6	Very high	43 Å²	43	56.8 Å²	56.8	23%	0.23	30%	0.301	C	S	.	.			trans	61.9	72.1	175.3	-158	21	0	0	0	114.5	K52 H151 N158 G173	K52-D171 IonicContact NZ-OD1 2.86Å; K52-D171 PolarHBondContact NZ-OD1 3.26Å; H151-D171 PolarHBondContact CE1-O 2.69Å; N158-D171 HydrophobicContact CB-CB 4.44Å; D171-G173 PolarHBondContact O-N 2.76Å
172	F	95.4	Very high	94.4	Very high	1 Å²	1	59.2 Å²	59.2	0%	0.004	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-85.2	15.3	178.8	-73.9	-100	0	0	0	112.8	E77 I80 L81 V84 I90 I144 I169 F174 A175	E77-F172 HydrophobicContact CG-CB 4.22Å; I80-F172 HydrophobicContact CG2-CB 4.17Å; I80-F172 HydrophobicContact CG2-CD1 3.58Å; I80-F172 HydrophobicContact CG2-CE1 4.35Å; I80-F172 HydrophobicContact CG2-CG 4.16Å; L81-F172 HydrophobicContact CD2-CB 4.22Å; L81-F172 HydrophobicContact CD2-CD2 3.49Å; L81-F172 VanDerWaalsContact CD2-CD2 3.49Å; L81-F172 HydrophobicContact CD2-CE2 4.13Å; L81-F172 HydrophobicContact CD2-CG 4.05Å; L81-F172 HydrophobicContact CG-CB 4.25Å; L81-F172 HydrophobicContact CG-CD2 4.4Å; V84-F172 HydrophobicContact CG2-CE1 4.27Å; V84-F172 HydrophobicContact CG2-CZ 4.15Å; I90-F172 HydrophobicContact CD1-CZ 4.28Å; I90-F172 HydrophobicContact CG2-CE2 3.83Å; I90-F172 HydrophobicContact CG2-CZ 3.77Å; I144-F172 HydrophobicContact CD1-CE1 4.46Å; I144-F172 HydrophobicContact CG2-CE1 4.14Å; I144-F172 HydrophobicContact CG2-CZ 4.34Å; I169-F172 HydrophobicContact CG2-CE2 4.37Å; I169-F172 HydrophobicContact CG2-CZ 4.23Å; F172-F174 PolarHBondContact O-N 2.88Å; F172-A175 HydrophobicContact CB-CB 3.92Å; F172-A175 HydrophobicContact CD1-CB 3.68Å; F172-A175 HydrophobicContact CG-CB 4.27Å; F172-A175 VanDerWaalsContact O-CB 3.27Å; F172-A175 WeakPolarHBondContact O-CB 3.18Å; F172-A175 PolarHBondContact O-N 3.42Å
173	G	90.9	Very high	94.3	Very high	34 Å²	34	62.5 Å²	62.5	35%	0.351	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-59.7	-29.2	-178.7	0	0	0	0	0	114	D171	D171-G173 PolarHBondContact O-N 2.76Å
174	F	91.6	Very high	94.3	Very high	87 Å²	87	55.9 Å²	55.9	38%	0.382	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-95.9	-1.3	172	-66.1	-67.2	0	0	0	113.6	H151 R152 D153 F172 C188	H151-F174 CarbonylContact O-C 3.6Å; R152-F174 HydrophobicContact CB-CB 4.44Å; R152-F174 PolarHBondContact NE-O 3.13Å; R152-F174 PolarHBondContact NH2-O 3.31Å; D153-F174 HydrophobicContact CB-CB 4.29Å; D153-F174 HydrophobicContact CB-CD2 3.72Å; D153-F174 HydrophobicContact CB-CG 4.37Å; F172-F174 PolarHBondContact O-N 2.88Å; F174-C188 HydrophobicContact CD1-CB 3.66Å; F174-C188 HydrophobicContact CE1-CB 3.98Å; F174-C188 HydrophobicContact CG-CB 4.43Å
175	A	96.1	Very high	94.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.008	29%	0.29	C	S	.	.			trans	-70	151.1	-176	0	0	0	0	0	111.8	Q76 I80 I149 V150 F172	Q76-A175 PolarHBondContact NE2-O 2.96Å; Q76-A175 VanDerWaalsContact NE2-O 3.14Å; I80-A175 VanDerWaalsContact CD1-C 3.43Å; I80-A175 HydrophobicContact CD1-CB 3.75Å; I80-A175 VanDerWaalsContact CD1-O 3.23Å; I80-A175 WeakPolarHBondContact CD1-O 3.34Å; I80-A175 HydrophobicContact CG2-CB 4.09Å; I149-A175 HydrophobicContact CG2-CB 4.31Å; V150-A175 CarbonylContact O-C 3.55Å; V150-A175 WeakPolarHBondContact O-CA 3.42Å; F172-A175 HydrophobicContact CB-CB 3.92Å; F172-A175 HydrophobicContact CD1-CB 3.68Å; F172-A175 HydrophobicContact CG-CB 4.27Å; F172-A175 VanDerWaalsContact O-CB 3.27Å; F172-A175 WeakPolarHBondContact O-CB 3.18Å; F172-A175 PolarHBondContact O-N 3.42Å
176	K	95.8	Very high	94.2	Very high	59 Å²	59	54.9 Å²	54.9	26%	0.257	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137.7	174.3	-173.2	163.8	167.6	-163.9	0	110.8	I149 V150 E182 L184	I149-K176 WeakPolarHBondContact CA-O 3.25Å; V150-K176 HydrophobicContact CG1-CB 4.46Å; V150-K176 WeakPolarHBondContact CG1-O 3.45Å; V150-K176 PolarHBondContact N-O 3.32Å; V150-K176 PolarHBondContact O-N 3.3Å; K176-E182 WeakPolarHBondContact CE-OE1 3.49Å; K176-E182 IonicContact NZ-OE1 3.56Å; K176-E182 PolarHBondContact NZ-OE1 3.33Å; K176-L184 HydrophobicContact CD-CD2 3.61Å; K176-L184 HydrophobicContact CG-CD2 4.46Å
177	Q	96.8	Very high	93.8	Very high	83 Å²	83	56 Å²	56	39%	0.388	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.9	168.6	-173.8	166.6	32.6	0	0	108.9	K147 I149	K147-Q177 PolarHBondContact O-NE2 2.91Å; I149-Q177 HydrophobicContact CG1-CB 4.1Å; I149-Q177 HydrophobicContact CG1-CG 4.19Å
178	L	95.7	Very high	93.3	Very high	13 Å²	13	56.8 Å²	56.8	7%	0.068	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-94	139	-178.7	-58.1	-177.6	0	0	0	110.6	S148 V150 E182 L184 S211 Q212	S148-L178 VanDerWaalsContact CB-O 3.26Å; S148-L178 WeakPolarHBondContact CB-O 3.48Å; S148-L178 PolarHBondContact O-N 2.58Å; V150-L178 HydrophobicContact CG1-CD1 4.19Å; V150-L178 HydrophobicContact CG1-CD2 4.25Å; V150-L178 HydrophobicContact CG1-CG 4.15Å; L178-E182 WeakPolarHBondContact CA-OE2 3.33Å; L178-E182 HydrophobicContact CB-CB 4.43Å; L178-E182 HydrophobicContact CD2-CG 4.44Å; L178-L184 HydrophobicContact CD2-CD1 3.85Å; L178-L184 HydrophobicContact CD2-CD2 3.65Å; L178-L184 HydrophobicContact CD2-CG 3.66Å; L178-S211 WeakPolarHBondContact CD1-OG 3.46Å; L178-Q212 HydrophobicContact CD1-CG 4.39Å
179	Q	94.8	Very high	92.8	Very high	156 Å²	156	57.1 Å²	57.1	73%	0.729	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-76.4	163.3	163.1	-59.1	-178.3	5	0	0	110.5	G181 E182	Q179-G181 PolarHBondContact O-N 3.04Å; Q179-E182 HydrophobicContact CB-CB 4.15Å; Q179-E182 PolarHBondContact N-OE2 3.28Å; Q179-E182 VanDerWaalsContact O-CB 3.29Å; Q179-E182 WeakPolarHBondContact O-CB 3.13Å; Q179-E182 PolarHBondContact O-N 2.97Å
180	E	90.9	Very high	92.2	Very high	204 Å²	204	58.8 Å²	58.8	95%	0.953	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	122.9	178.5	-171.2	173.2	-175	0	0	110.7	E182	E180-E182 PolarHBondContact O-N 2.97Å
181	G	88.8	Confident	91.8	Very high	72 Å²	72	58.7 Å²	58.7	74%	0.742	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-2.8	-176.8	0	0	0	0	0	115.4	Q179 K183	Q179-G181 PolarHBondContact O-N 3.04Å; G181-K183 PolarHBondContact O-N 3.44Å
182	E	93.7	Very high	91.8	Very high	52 Å²	52	57.2 Å²	57.2	24%	0.243	32%	0.318	C	S	.	.			trans	-64.9	134.4	177	-171.2	-176	173.3	0	0	110.9	K176 L178 Q179 E180	K176-E182 WeakPolarHBondContact CE-OE1 3.49Å; K176-E182 IonicContact NZ-OE1 3.56Å; K176-E182 PolarHBondContact NZ-OE1 3.33Å; L178-E182 WeakPolarHBondContact CA-OE2 3.33Å; L178-E182 HydrophobicContact CB-CB 4.43Å; L178-E182 HydrophobicContact CD2-CG 4.44Å; Q179-E182 HydrophobicContact CB-CB 4.15Å; Q179-E182 PolarHBondContact N-OE2 3.28Å; Q179-E182 VanDerWaalsContact O-CB 3.29Å; Q179-E182 WeakPolarHBondContact O-CB 3.13Å; Q179-E182 PolarHBondContact O-N 2.97Å; E180-E182 PolarHBondContact O-N 2.97Å
183	K	93.8	Very high	91.8	Very high	100 Å²	100	58.4 Å²	58.4	44%	0.435	32%	0.323	S	S	.	.			trans	-120.5	142.9	172.9	-64.1	-63.9	-172.8	-178.2	0	110	G181 P208	G181-K183 PolarHBondContact O-N 3.44Å; K183-P208 WeakPolarHBondContact CB-O 3.47Å
184	L	93.4	Very high	92	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-95.6	146	179.3	-58.3	179.2	0	0	0	110.7	V150 K176 L178 G209 Y210	V150-L184 HydrophobicContact CG1-CD1 3.7Å; K176-L184 HydrophobicContact CD-CD2 3.61Å; K176-L184 HydrophobicContact CG-CD2 4.46Å; L178-L184 HydrophobicContact CD2-CD1 3.85Å; L178-L184 HydrophobicContact CD2-CD2 3.65Å; L178-L184 HydrophobicContact CD2-CG 3.66Å; L184-G209 CarbonylContact O-C 3.5Å; L184-G209 WeakPolarHBondContact O-CA 3.07Å; L184-Y210 HydrophobicContact CB-CD1 4.27Å; L184-Y210 HydrophobicContact CB-CD2 4.01Å; L184-Y210 HydrophobicContact CB-CE1 3.87Å; L184-Y210 HydrophobicContact CB-CE2 3.6Å; L184-Y210 HydrophobicContact CB-CG 4.32Å; L184-Y210 HydrophobicContact CD1-CD2 4.41Å; L184-Y210 HydrophobicContact CD1-CE2 3.73Å; L184-Y210 HydrophobicContact CG-CE2 4.28Å; L184-Y210 PolarHBondContact N-O 2.87Å; L184-Y210 WeakPolarHBondContact O-CD1 3.46Å; L184-Y210 WeakPolarHBondContact O-CE1 3.44Å; L184-Y210 PolarHBondContact O-N 2.76Å
185	T	92.3	Very high	92.2	Very high	88 Å²	88	53.2 Å²	53.2	54%	0.54	29%	0.291	S	S	.	.			trans	-125.9	-21.3	-178.9	54.2	0	0	0	0	112.8	C201	T185-C201 WeakPolarHBondContact O-CB 3.33Å
186	N	89.3	Confident	92.3	Very high	70 Å²	70	53.2 Å²	53.2	37%	0.374	29%	0.291	S	S	.	.			trans	-69.4	139.1	-178.4	71.4	-72.8	0	0	0	111.2	R152 Y210	R152-N186 PolarHBondContact NH1-ND2 3.22Å; R152-N186 VanDerWaalsContact NH1-ND2 3.12Å; R152-N186 PolarHBondContact NH1-OD1 2.97Å; N186-Y210 WeakPolarHBondContact O-CE1 3.36Å; N186-Y210 PolarHBondContact O-OH 2.89Å
187	L	89.1	Confident	92.3	Very high	71 Å²	71	50.9 Å²	50.9	37%	0.372	28%	0.281	S	S	.	.			trans	-82.7	124.2	173.5	-174.4	63.3	0	0	0	110	L194 T198 L199 N202	L187-L194 HydrophobicContact CD1-CD1 3.88Å; L187-T198 HydrophobicContact CD1-CG2 3.65Å; L187-L199 HydrophobicContact CD1-CD2 4.37Å; L187-N202 HydrophobicContact CB-CB 4.02Å; L187-N202 HydrophobicContact CD1-CB 4.43Å; L187-N202 HydrophobicContact CD2-CB 3.87Å; L187-N202 HydrophobicContact CG-CB 4.33Å
188	C	87.1	Confident	92.1	Very high	17 Å²	17	47.1 Å²	47.1	12%	0.115	26%	0.264	C	S	.	.			trans	-153.6	160.5	171.3	60.1	0	0	0	0	110.2	R152 F174 L194	R152-C188 VanDerWaalsContact CZ-SG 3.55Å; F174-C188 HydrophobicContact CD1-CB 3.66Å; F174-C188 HydrophobicContact CE1-CB 3.98Å; F174-C188 HydrophobicContact CG-CB 4.43Å; C188-L194 WeakPolarHBondContact O-CD2 3.45Å
189	G	86.9	Confident	92	Very high	23 Å²	23	46.8 Å²	46.8	24%	0.237	26%	0.262	C	S	.	.	S	Bend	trans	102.5	178.6	-179.2	0	0	0	0	0	113.4	D153	D153-G189 WeakPolarHBondContact OD1-CA 3.4Å
190	T	86.9	Confident	91.7	Very high	36 Å²	36	43.1 Å²	43.1	22%	0.221	24%	0.243	C	C	.	.			trans	-87.3	125.1	-171	-54.3	0	0	0	0	111.8	D153 K155 G192 Y193 L194	D153-T190 WeakPolarHBondContact OD1-CB 3.42Å; D153-T190 PolarHBondContact OD1-N 3.48Å; D153-T190 PolarHBondContact OD1-OG1 3.17Å; K155-T190 HydrophobicContact CD-CG2 4.37Å; K155-T190 VanDerWaalsContact CD-OG1 3.3Å; K155-T190 WeakPolarHBondContact CD-OG1 3.38Å; K155-T190 PolarHBondContact NZ-OG1 3.49Å; T190-G192 VanDerWaalsContact C-N 3.31Å; T190-G192 PolarHBondContact O-N 3.16Å; T190-Y193 HydrophobicContact CG2-CD2 4Å; T190-Y193 HydrophobicContact CG2-CE2 4.35Å; T190-Y193 PolarHBondContact O-N 3.28Å; T190-L194 PolarHBondContact O-N 2.89Å
191	P	88.4	Confident	91.6	Very high	18 Å²	18	34.4 Å²	34.4	12%	0.117	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-48.3	-39.4	-168.6	-33.6	36	0	0	0	117.2	Y193 L194 M241 L242 I245 E393	P191-Y193 PolarHBondContact O-N 2.95Å; P191-L194 PolarHBondContact O-N 3.47Å; P191-M241 HydrophobicContact CB-CE 3.78Å; P191-L242 HydrophobicContact CB-CD2 4.47Å; P191-I245 VanDerWaalsContact O-CD1 3.27Å; P191-I245 WeakPolarHBondContact O-CD1 3.41Å; P191-E393 WeakPolarHBondContact CD-OE1 3.04Å; P191-E393 WeakPolarHBondContact CG-OE1 3.21Å
192	G	89.9	Confident	91.4	Very high	12 Å²	12	35.9 Å²	35.9	12%	0.124	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-71.4	-13.8	-179	0	0	0	0	0	115.2	T190	T190-G192 VanDerWaalsContact C-N 3.31Å; T190-G192 PolarHBondContact O-N 3.16Å
193	Y	95.4	Very high	90.9	Very high	26 Å²	26	37.2 Å²	37.2	10%	0.102	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-112.5	-4	-178.7	-58.6	-87.7	0	0	0	112.6	K155 P156 T190 P191 V221 I222	K155-Y193 HydrophobicContact CB-CD1 4.19Å; K155-Y193 HydrophobicContact CB-CD2 3.76Å; K155-Y193 HydrophobicContact CB-CE1 4.11Å; K155-Y193 HydrophobicContact CB-CE2 3.64Å; K155-Y193 HydrophobicContact CB-CG 4.05Å; P156-Y193 VanDerWaalsContact CD-CZ 3.46Å; P156-Y193 WeakPolarHBondContact CD-OH 3.29Å; T190-Y193 HydrophobicContact CG2-CD2 4Å; T190-Y193 HydrophobicContact CG2-CE2 4.35Å; T190-Y193 PolarHBondContact O-N 3.28Å; P191-Y193 PolarHBondContact O-N 2.95Å; Y193-V221 HydrophobicContact CD1-CB 3.9Å; Y193-V221 HydrophobicContact CD1-CG1 3.43Å; Y193-V221 VanDerWaalsContact CD1-CG1 3.43Å; Y193-V221 HydrophobicContact CE1-CB 4.34Å; Y193-V221 HydrophobicContact CE1-CG1 3.58Å; Y193-V221 HydrophobicContact CG-CG1 4.29Å; Y193-I222 HydrophobicContact CD1-CG1 4.34Å; Y193-I222 HydrophobicContact CE1-CG1 4.1Å
194	L	95.2	Very high	90.4	Very high	12 Å²	12	38 Å²	38	6%	0.063	21%	0.207	C	C	.	.			trans	-65.1	138.9	178.9	-64.5	-179.6	0	0	0	111.3	L187 C188 T190 P191 T198 L199 W217 I245	L187-L194 HydrophobicContact CD1-CD1 3.88Å; C188-L194 WeakPolarHBondContact O-CD2 3.45Å; T190-L194 PolarHBondContact O-N 2.89Å; P191-L194 PolarHBondContact O-N 3.47Å; L194-T198 HydrophobicContact CD2-CG2 4.34Å; L194-L199 HydrophobicContact CB-CD2 4.26Å; L194-L199 HydrophobicContact CB-CG 4.37Å; L194-L199 HydrophobicContact CD1-CD2 3.68Å; L194-W217 PolarHBondContact O-NE1 2.67Å; L194-I245 VanDerWaalsContact O-CG2 3.23Å; L194-I245 WeakPolarHBondContact O-CG2 3.26Å
195	A	96.9	Very high	89.7	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	25%	0.251	C	S	.	.			trans	-79.1	154.8	174.2	0	0	0	0	0	111.4	E197 T198 L199 V214 W217	A195-E197 VanDerWaalsContact C-N 3.27Å; A195-E197 HydrophobicContact CB-CG 4.42Å; A195-E197 WeakPolarHBondContact CB-OE2 3.39Å; A195-E197 PolarHBondContact O-N 3.09Å; A195-T198 WeakPolarHBondContact O-CB 3.46Å; A195-T198 PolarHBondContact O-N 2.96Å; A195-T198 VanDerWaalsContact O-N 3.13Å; A195-L199 PolarHBondContact O-N 3.21Å; A195-V214 HydrophobicContact CB-CB 4.01Å; A195-V214 HydrophobicContact CB-CG1 3.92Å; A195-W217 HydrophobicContact CB-CB 3.85Å; A195-W217 HydrophobicContact CB-CD2 4.34Å; A195-W217 HydrophobicContact CB-CG 3.79Å
196	P	96.6	Very high	89	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.8	-39.7	-179.7	-28.3	37.7	0	0	0	113.5	L199 K200 W217 I245 V274	P196-L199 PolarHBondContact O-N 3.44Å; P196-K200 WeakPolarHBondContact O-CG 3.38Å; P196-K200 PolarHBondContact O-N 2.88Å; P196-W217 HydrophobicContact CG-CE3 4.18Å; P196-W217 HydrophobicContact CG-CH2 3.49Å; P196-W217 VanDerWaalsContact CG-CH2 3.49Å; P196-W217 HydrophobicContact CG-CZ2 3.87Å; P196-W217 HydrophobicContact CG-CZ3 3.67Å; P196-I245 HydrophobicContact CG-CG2 4.32Å; P196-I245 WeakPolarHBondContact CG-O 3.27Å; P196-V274 HydrophobicContact CB-CG1 4.03Å; P196-V274 HydrophobicContact CG-CB 4.48Å; P196-V274 HydrophobicContact CG-CG1 4.24Å; P196-V274 HydrophobicContact CG-CG2 4.35Å
197	E	95.8	Very high	88.9	Confident	11 Å²	11	45.3 Å²	45.3	5%	0.051	26%	0.258	C	S	.	.	H	α-helix	trans	-68	-32.4	179.7	63.2	-86	-158.5	0	0	113.2	A195 K200 C201 V214 P276 R279	A195-E197 VanDerWaalsContact C-N 3.27Å; A195-E197 HydrophobicContact CB-CG 4.42Å; A195-E197 WeakPolarHBondContact CB-OE2 3.39Å; A195-E197 PolarHBondContact O-N 3.09Å; E197-K200 PolarHBondContact O-N 3.23Å; E197-C201 PolarHBondContact O-N 3.43Å; E197-C201 VanDerWaalsContact O-N 3.08Å; E197-C201 PolarHBondContact O-SG 3.38Å; E197-V214 HydrophobicContact CG-CG1 4.1Å; E197-P276 HydrophobicContact CB-CG 4.47Å; E197-P276 HydrophobicContact CG-CG 4.4Å; E197-R279 IonicContact OE1-CZ 3.49Å; E197-R279 IonicContact OE1-NH1 2.66Å; E197-R279 PolarHBondContact OE1-NH1 2.96Å; E197-R279 IonicContact OE1-NH2 2.7Å; E197-R279 PolarHBondContact OE1-NH2 3.36Å; E197-R279 IonicContact OE2-CZ 2.66Å; E197-R279 IonicContact OE2-NH1 3.71Å; E197-R279 IonicContact OE2-NH2 3.71Å; E197-R279 PolarHBondContact OE2-NH2 3.42Å
198	T	94	Very high	88.6	Confident	4 Å²	4	47.7 Å²	47.7	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-41.9	174	-45.4	0	0	0	0	110.4	L187 L194 A195 C201 Y210 V214	L187-T198 HydrophobicContact CD1-CG2 3.65Å; L194-T198 HydrophobicContact CD2-CG2 4.34Å; A195-T198 WeakPolarHBondContact O-CB 3.46Å; A195-T198 PolarHBondContact O-N 2.96Å; A195-T198 VanDerWaalsContact O-N 3.13Å; T198-C201 PolarHBondContact O-N 3.36Å; T198-Y210 HydrophobicContact CG2-CD1 4.27Å; T198-Y210 HydrophobicContact CG2-CE1 3.81Å; T198-V214 WeakPolarHBondContact OG1-CG1 3.44Å
199	L	92	Very high	88.9	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-41.9	175.4	-63.1	178.5	0	0	0	112	L187 L194 A195 P196 C201 N202 M203 L242 I245 M246	L187-L199 HydrophobicContact CD1-CD2 4.37Å; L194-L199 HydrophobicContact CB-CD2 4.26Å; L194-L199 HydrophobicContact CB-CG 4.37Å; L194-L199 HydrophobicContact CD1-CD2 3.68Å; A195-L199 PolarHBondContact O-N 3.21Å; P196-L199 PolarHBondContact O-N 3.44Å; L199-C201 VanDerWaalsContact C-N 3.32Å; L199-C201 PolarHBondContact O-N 2.97Å; L199-N202 PolarHBondContact O-N 2.84Å; L199-N202 VanDerWaalsContact O-N 3.17Å; L199-M203 WeakPolarHBondContact O-CG 3.49Å; L199-M203 PolarHBondContact O-N 2.97Å; L199-L242 HydrophobicContact CD1-CB 4.36Å; L199-L242 HydrophobicContact CD1-CD2 3.99Å; L199-L242 HydrophobicContact CD2-CD2 3.91Å; L199-I245 HydrophobicContact CD1-CB 4.03Å; L199-I245 HydrophobicContact CD1-CG2 3.64Å; L199-M246 HydrophobicContact CB-CG 4.22Å; L199-M246 HydrophobicContact CD1-CG 3.92Å
200	K	89.6	Confident	89.3	Confident	79 Å²	79	46.5 Å²	46.5	34%	0.343	27%	0.267	S	S	.	.	H	α-helix	trans	-59.4	-41.7	177.4	-75.5	173.7	-177.8	176.2	0	112	P196 E197 N202 M203 F204 S207 M246	P196-K200 WeakPolarHBondContact O-CG 3.38Å; P196-K200 PolarHBondContact O-N 2.88Å; E197-K200 PolarHBondContact O-N 3.23Å; K200-N202 PolarHBondContact O-N 2.97Å; K200-M203 PolarHBondContact O-N 3.33Å; K200-F204 HydrophobicContact CB-CD2 4.19Å; K200-F204 HydrophobicContact CG-CD2 4.23Å; K200-F204 HydrophobicContact CG-CE2 4.28Å; K200-F204 PolarHBondContact O-N 3.14Å; K200-S207 PolarHBondContact O-OG 3.44Å; K200-S207 VanDerWaalsContact O-OG 3.11Å; K200-M246 HydrophobicContact CG-CE 4.29Å
201	C	88	Confident	89.7	Confident	22 Å²	22	45.5 Å²	45.5	15%	0.149	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-33	177.9	-66.2	0	0	0	0	113.3	T185 E197 T198 L199 G209	T185-C201 WeakPolarHBondContact O-CB 3.33Å; E197-C201 PolarHBondContact O-N 3.43Å; E197-C201 VanDerWaalsContact O-N 3.08Å; E197-C201 PolarHBondContact O-SG 3.38Å; T198-C201 PolarHBondContact O-N 3.36Å; L199-C201 VanDerWaalsContact C-N 3.32Å; L199-C201 PolarHBondContact O-N 2.97Å; C201-G209 WeakPolarHBondContact SG-CA 3.42Å
202	N	84.9	Confident	90.1	Very high	102 Å²	102	46.9 Å²	46.9	55%	0.545	27%	0.266	S	S	.	.	H	α-helix	trans	-83.4	-30	177.8	-167.1	72.2	0	0	0	113.3	L187 L199 K200	L187-N202 HydrophobicContact CB-CB 4.02Å; L187-N202 HydrophobicContact CD1-CB 4.43Å; L187-N202 HydrophobicContact CD2-CB 3.87Å; L187-N202 HydrophobicContact CG-CB 4.33Å; L199-N202 PolarHBondContact O-N 2.84Å; L199-N202 VanDerWaalsContact O-N 3.17Å; K200-N202 PolarHBondContact O-N 2.97Å
203	M	83.1	Confident	90.5	Very high	81 Å²	81	49 Å²	49	40%	0.399	27%	0.273	S	S	.	.	H	α-helix	trans	-91.6	-25.8	-174.4	-68.6	-176.5	-178.8	0	0	113.8	L199 K200 L242 M246	L199-M203 WeakPolarHBondContact O-CG 3.49Å; L199-M203 PolarHBondContact O-N 2.97Å; K200-M203 PolarHBondContact O-N 3.33Å; M203-L242 HydrophobicContact CE-CD1 4.28Å; M203-M246 HydrophobicContact CE-SD 4.13Å; M203-M246 HydrophobicContact SD-CE 3.91Å; M203-M246 HydrophobicContact SD-SD 3.52Å
204	F	83.7	Confident	90.6	Very high	116 Å²	116	48.2 Å²	48.2	51%	0.509	27%	0.271	S	S	.	.	S	Bend	trans	-129.6	121.9	-174.7	-53.8	-76.1	0	0	0	111.3	K200 S207 M246	K200-F204 HydrophobicContact CB-CD2 4.19Å; K200-F204 HydrophobicContact CG-CD2 4.23Å; K200-F204 HydrophobicContact CG-CE2 4.28Å; K200-F204 PolarHBondContact O-N 3.14Å; F204-S207 PolarHBondContact O-OG 3.37Å; F204-M246 HydrophobicContact CE2-CE 3.74Å; F204-M246 HydrophobicContact CZ-CE 4.28Å
205	E	79.4	Confident	90.8	Very high	203 Å²	203	47.7 Å²	47.7	95%	0.949	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	141.6	170.5	-68	-178.5	-179.3	0	0	111	S207	E205-S207 VanDerWaalsContact C-N 3.35Å; E205-S207 PolarHBondContact O-N 2.87Å
206	G	77.5	Confident	90.9	Very high	84 Å²	84	47.9 Å²	47.9	87%	0.866	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	11.6	179	0	0	0	0	0	115.6
207	S	85.5	Confident	91	Very high	29 Å²	29	47.9 Å²	47.9	20%	0.203	27%	0.269	C	S	.	.			trans	-59	143.1	171.7	-68.3	0	0	0	0	111.6	K200 F204 E205 G209	K200-S207 PolarHBondContact O-OG 3.44Å; K200-S207 VanDerWaalsContact O-OG 3.11Å; F204-S207 PolarHBondContact O-OG 3.37Å; E205-S207 VanDerWaalsContact C-N 3.35Å; E205-S207 PolarHBondContact O-N 2.87Å; S207-G209 PolarHBondContact O-N 2.83Å
208	P	84.7	Confident	91.1	Very high	120 Å²	120	47.6 Å²	47.6	78%	0.779	27%	0.269	S	S	*	.			trans	-69.7	0.1	-174.3	29.2	-36.5	0	0	0	114.7	K183	K183-P208 WeakPolarHBondContact CB-O 3.47Å
209	G	92.1	Very high	91.4	Very high	11 Å²	11	47.4 Å²	47.4	11%	0.113	27%	0.268	C	S	.	.			trans	79.1	-179.2	-173.8	0	0	0	0	0	113.7	L184 C201 S207	L184-G209 CarbonylContact O-C 3.5Å; L184-G209 WeakPolarHBondContact O-CA 3.07Å; C201-G209 WeakPolarHBondContact SG-CA 3.42Å; S207-G209 PolarHBondContact O-N 2.83Å
210	Y	95.2	Very high	91.7	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.02	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-131.9	166.1	179.6	65.8	-94.4	0	0	0	111.6	R152 L184 N186 T198 V214	R152-Y210 HydrophobicContact CG-CE2 4.37Å; R152-Y210 PolarHBondContact NH1-OH 2.82Å; L184-Y210 HydrophobicContact CB-CD1 4.27Å; L184-Y210 HydrophobicContact CB-CD2 4.01Å; L184-Y210 HydrophobicContact CB-CE1 3.87Å; L184-Y210 HydrophobicContact CB-CE2 3.6Å; L184-Y210 HydrophobicContact CB-CG 4.32Å; L184-Y210 HydrophobicContact CD1-CD2 4.41Å; L184-Y210 HydrophobicContact CD1-CE2 3.73Å; L184-Y210 HydrophobicContact CG-CE2 4.28Å; L184-Y210 PolarHBondContact N-O 2.87Å; L184-Y210 WeakPolarHBondContact O-CD1 3.46Å; L184-Y210 WeakPolarHBondContact O-CE1 3.44Å; L184-Y210 PolarHBondContact O-N 2.76Å; N186-Y210 WeakPolarHBondContact O-CE1 3.36Å; N186-Y210 PolarHBondContact O-OH 2.89Å; T198-Y210 HydrophobicContact CG2-CD1 4.27Å; T198-Y210 HydrophobicContact CG2-CE1 3.81Å; Y210-V214 HydrophobicContact CD2-CG1 3.49Å; Y210-V214 VanDerWaalsContact CD2-CG1 3.49Å; Y210-V214 HydrophobicContact CD2-CG2 4.26Å; Y210-V214 HydrophobicContact CE2-CG1 4.32Å; Y210-V214 HydrophobicContact CG-CG1 3.92Å
211	S	96.1	Very high	92.1	Very high	15 Å²	15	43.4 Å²	43.4	11%	0.105	25%	0.25	C	C	.	.			trans	-142.2	-145.3	179.6	-170.4	0	0	0	0	110.3	L178 E213 V214	L178-S211 WeakPolarHBondContact CD1-OG 3.46Å; S211-E213 WeakPolarHBondContact CA-OE2 3.45Å; S211-E213 VanDerWaalsContact CB-OE2 3.27Å; S211-E213 WeakPolarHBondContact CB-OE2 3.3Å; S211-E213 PolarHBondContact N-OE2 3.49Å; S211-E213 PolarHBondContact O-N 3.47Å; S211-V214 VanDerWaalsContact O-CG2 3.31Å; S211-V214 WeakPolarHBondContact O-CG2 3.28Å; S211-V214 PolarHBondContact O-N 2.84Å
212	Q	97.3	Very high	92.6	Very high	46 Å²	46	42.4 Å²	42.4	22%	0.215	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20	-172.7	-66.6	179.8	-41	0	0	114.4	H145 V150 L178 V214 D215	H145-Q212 PolarHBondContact CE1-O 2.99Å; H145-Q212 PolarHBondContact O-NE2 3.02Å; V150-Q212 HydrophobicContact CB-CG 4.33Å; L178-Q212 HydrophobicContact CD1-CG 4.39Å; Q212-V214 PolarHBondContact O-N 3.17Å; Q212-V214 VanDerWaalsContact O-N 3.13Å; Q212-D215 PolarHBondContact O-N 2.9Å; Q212-D215 VanDerWaalsContact O-N 3.14Å
213	E	97.9	Very high	93.3	Very high	58 Å²	58	37.5 Å²	37.5	27%	0.271	22%	0.217	S	C	.	.	H	α-helix	trans	-62.8	-23.6	-176.3	-52.6	81.7	-177.9	0	0	112.2	S211 D215 I216 W217 P276 R279	S211-E213 WeakPolarHBondContact CA-OE2 3.45Å; S211-E213 VanDerWaalsContact CB-OE2 3.27Å; S211-E213 WeakPolarHBondContact CB-OE2 3.3Å; S211-E213 PolarHBondContact N-OE2 3.49Å; S211-E213 PolarHBondContact O-N 3.47Å; E213-D215 VanDerWaalsContact C-N 3.27Å; E213-D215 PolarHBondContact O-N 2.91Å; E213-I216 WeakPolarHBondContact O-CB 3.38Å; E213-I216 PolarHBondContact O-N 2.82Å; E213-I216 VanDerWaalsContact O-N 3.17Å; E213-W217 PolarHBondContact O-N 3.09Å; E213-P276 HydrophobicContact CB-CB 3.89Å; E213-P276 HydrophobicContact CG-CB 4.1Å; E213-R279 PolarHBondContact O-NH1 3.39Å
214	V	98.3	Very high	94	Very high	9 Å²	9	34 Å²	34	6%	0.055	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-33.3	177.7	-56	0	0	0	0	112.5	V150 R152 A195 E197 T198 Y210 S211 Q212 I216 W217 A218	V150-V214 HydrophobicContact CG2-CG2 3.66Å; R152-V214 HydrophobicContact CG-CG2 4.48Å; A195-V214 HydrophobicContact CB-CB 4.01Å; A195-V214 HydrophobicContact CB-CG1 3.92Å; E197-V214 HydrophobicContact CG-CG1 4.1Å; T198-V214 WeakPolarHBondContact OG1-CG1 3.44Å; Y210-V214 HydrophobicContact CD2-CG1 3.49Å; Y210-V214 VanDerWaalsContact CD2-CG1 3.49Å; Y210-V214 HydrophobicContact CD2-CG2 4.26Å; Y210-V214 HydrophobicContact CE2-CG1 4.32Å; Y210-V214 HydrophobicContact CG-CG1 3.92Å; S211-V214 VanDerWaalsContact O-CG2 3.31Å; S211-V214 WeakPolarHBondContact O-CG2 3.28Å; S211-V214 PolarHBondContact O-N 2.84Å; Q212-V214 PolarHBondContact O-N 3.17Å; Q212-V214 VanDerWaalsContact O-N 3.13Å; V214-I216 VanDerWaalsContact C-N 3.31Å; V214-I216 PolarHBondContact O-N 2.96Å; V214-W217 WeakPolarHBondContact O-CB 3.36Å; V214-W217 PolarHBondContact O-N 2.91Å; V214-A218 PolarHBondContact O-N 3.32Å; V214-A218 VanDerWaalsContact O-N 3.1Å
215	D	98.7	Very high	94.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-69.7	-33.2	178.3	-69.8	-22.3	0	0	0	110.6	V141 H145 V150 H151 R152 L154 Q212 E213 A218 C219	V141-D215 HydrophobicContact CG1-CB 4.3Å; H145-D215 IonicContact CD2-OD2 3.39Å; H145-D215 IonicContact CE1-OD2 2.66Å; H145-D215 IonicContact NE2-OD2 3.67Å; H145-D215 PolarHBondContact NE2-OD2 3.24Å; V150-D215 WeakPolarHBondContact CG2-OD2 3.38Å; H151-D215 PolarHBondContact N-OD1 2.76Å; H151-D215 PolarHBondContact N-OD2 3.38Å; R152-D215 PolarHBondContact N-OD1 2.66Å; L154-D215 HydrophobicContact CD1-CB 3.67Å; Q212-D215 PolarHBondContact O-N 2.9Å; Q212-D215 VanDerWaalsContact O-N 3.14Å; E213-D215 VanDerWaalsContact C-N 3.27Å; E213-D215 PolarHBondContact O-N 2.91Å; D215-A218 PolarHBondContact O-N 3.48Å; D215-C219 PolarHBondContact O-N 2.9Å; D215-C219 PolarHBondContact O-SG 3.19Å
216	I	98.8	Very high	95.3	Very high	5 Å²	5	19 Å²	19	3%	0.026	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-40	176.4	-51.7	-56	0	0	0	111.2	V141 E213 V214 C219 G220 C271 R279 I280 V282	V141-I216 HydrophobicContact CG1-CD1 4.19Å; E213-I216 WeakPolarHBondContact O-CB 3.38Å; E213-I216 PolarHBondContact O-N 2.82Å; E213-I216 VanDerWaalsContact O-N 3.17Å; V214-I216 VanDerWaalsContact C-N 3.31Å; V214-I216 PolarHBondContact O-N 2.96Å; I216-C219 PolarHBondContact O-N 3.02Å; I216-G220 PolarHBondContact O-N 3.24Å; I216-C271 HydrophobicContact CG2-CB 4.23Å; I216-R279 HydrophobicContact CG2-CG 4.26Å; I216-I280 HydrophobicContact CG2-CG2 4.1Å; I216-I280 WeakPolarHBondContact CG2-O 3.1Å; I216-V282 HydrophobicContact CD1-CB 3.8Å; I216-V282 HydrophobicContact CD1-CG2 4.41Å
217	W	98.8	Very high	96.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59	-50.6	173.2	177.1	-85.9	0	0	0	110.7	L194 A195 P196 E213 V214 C219 G220 V221 F233 I245 L272	L194-W217 PolarHBondContact O-NE1 2.67Å; A195-W217 HydrophobicContact CB-CB 3.85Å; A195-W217 HydrophobicContact CB-CD2 4.34Å; A195-W217 HydrophobicContact CB-CG 3.79Å; P196-W217 HydrophobicContact CG-CE3 4.18Å; P196-W217 HydrophobicContact CG-CH2 3.49Å; P196-W217 VanDerWaalsContact CG-CH2 3.49Å; P196-W217 HydrophobicContact CG-CZ2 3.87Å; P196-W217 HydrophobicContact CG-CZ3 3.67Å; E213-W217 PolarHBondContact O-N 3.09Å; V214-W217 WeakPolarHBondContact O-CB 3.36Å; V214-W217 PolarHBondContact O-N 2.91Å; W217-C219 VanDerWaalsContact C-N 3.32Å; W217-C219 PolarHBondContact O-N 3.01Å; W217-G220 WeakPolarHBondContact O-CA 3.46Å; W217-G220 PolarHBondContact O-N 2.78Å; W217-V221 PolarHBondContact O-N 3.29Å; W217-F233 AromaticContact CE2-CE2 3.91Å; W217-F233 HydrophobicContact CH2-CE2 4.05Å; W217-F233 AromaticContact CH2-CZ 3.7Å; W217-F233 HydrophobicContact CH2-CZ 3.7Å; W217-F233 HydrophobicContact CZ2-CD2 4.22Å; W217-F233 HydrophobicContact CZ2-CE1 4.41Å; W217-F233 AromaticContact CZ2-CE2 3.3Å; W217-F233 HydrophobicContact CZ2-CE2 3.3Å; W217-F233 AromaticContact CZ2-CZ 3.42Å; W217-F233 HydrophobicContact CZ2-CZ 3.42Å; W217-F233 VanDerWaalsContact CZ2-CZ 3.42Å; W217-I245 HydrophobicContact CZ2-CG2 3.92Å; W217-L272 HydrophobicContact CD2-CD2 3.84Å; W217-L272 HydrophobicContact CE3-CB 4.41Å; W217-L272 HydrophobicContact CE3-CD2 4.04Å; W217-L272 HydrophobicContact CG-CD2 4.26Å; W217-L272 HydrophobicContact CZ2-CD2 4.41Å; W217-L272 VanDerWaalsContact CZ3-C 3.48Å; W217-L272 HydrophobicContact CZ3-CB 4.17Å; W217-L272 HydrophobicContact CZ3-CD2 4.41Å; W217-L272 WeakPolarHBondContact O-CD2 3.46Å
218	A	98.6	Very high	96.4	Very high	5 Å²	5	14.2 Å²	14.2	4%	0.041	8%	0.083	C	C	.	.	H	α-helix	trans	-58.6	-42	178	0	0	0	0	0	112.1	L154 V214 D215 G220 V221 I222	L154-A218 HydrophobicContact CB-CB 3.84Å; V214-A218 PolarHBondContact O-N 3.32Å; V214-A218 VanDerWaalsContact O-N 3.1Å; D215-A218 PolarHBondContact O-N 3.48Å; A218-G220 VanDerWaalsContact C-N 3.3Å; A218-G220 PolarHBondContact O-N 2.87Å; A218-V221 WeakPolarHBondContact O-CB 3.48Å; A218-V221 PolarHBondContact O-N 2.65Å; A218-V221 VanDerWaalsContact O-N 3.17Å; A218-I222 WeakPolarHBondContact O-CG1 3.5Å; A218-I222 PolarHBondContact O-N 2.93Å
219	C	98.8	Very high	96.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.9	-36.4	172.2	-69.1	0	0	0	0	113.1	M134 F138 D215 I216 W217 I222 M223	M134-C219 HydrophobicContact CE-CB 4.09Å; M134-C219 WeakPolarHBondContact CE-O 3.32Å; F138-C219 HydrophobicContact CD1-CB 4.25Å; F138-C219 HydrophobicContact CE1-CB 3.37Å; F138-C219 HydrophobicContact CE2-CB 4.45Å; F138-C219 HydrophobicContact CZ-CB 3.49Å; F138-C219 VanDerWaalsContact CZ-CB 3.49Å; D215-C219 PolarHBondContact O-N 2.9Å; D215-C219 PolarHBondContact O-SG 3.19Å; I216-C219 PolarHBondContact O-N 3.02Å; W217-C219 VanDerWaalsContact C-N 3.32Å; W217-C219 PolarHBondContact O-N 3.01Å; C219-I222 PolarHBondContact O-N 2.87Å; C219-M223 WeakPolarHBondContact O-CB 3.33Å; C219-M223 PolarHBondContact O-N 2.82Å
220	G	98.7	Very high	96.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.2	-43.6	172.5	0	0	0	0	0	112.5	I216 W217 A218 M223 F224	I216-G220 PolarHBondContact O-N 3.24Å; W217-G220 WeakPolarHBondContact O-CA 3.46Å; W217-G220 PolarHBondContact O-N 2.78Å; A218-G220 VanDerWaalsContact C-N 3.3Å; A218-G220 PolarHBondContact O-N 2.87Å; G220-M223 PolarHBondContact O-N 2.98Å; G220-F224 WeakPolarHBondContact O-CB 3.39Å; G220-F224 PolarHBondContact O-N 2.94Å
221	V	98.4	Very high	96	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.8	-44.5	175.2	178.2	0	0	0	0	110.9	Y193 W217 A218 F224 T225 P232 F233 L272	Y193-V221 HydrophobicContact CD1-CB 3.9Å; Y193-V221 HydrophobicContact CD1-CG1 3.43Å; Y193-V221 VanDerWaalsContact CD1-CG1 3.43Å; Y193-V221 HydrophobicContact CE1-CB 4.34Å; Y193-V221 HydrophobicContact CE1-CG1 3.58Å; Y193-V221 HydrophobicContact CG-CG1 4.29Å; W217-V221 PolarHBondContact O-N 3.29Å; A218-V221 WeakPolarHBondContact O-CB 3.48Å; A218-V221 PolarHBondContact O-N 2.65Å; A218-V221 VanDerWaalsContact O-N 3.17Å; V221-F224 PolarHBondContact O-N 3.4Å; V221-T225 WeakPolarHBondContact O-CB 3.22Å; V221-T225 PolarHBondContact O-N 2.95Å; V221-T225 PolarHBondContact O-OG1 2.9Å; V221-P232 HydrophobicContact CB-CG 4.3Å; V221-P232 HydrophobicContact CG1-CG 4.04Å; V221-P232 HydrophobicContact CG2-CG 4.12Å; V221-F233 HydrophobicContact CG2-CD2 4.3Å; V221-F233 HydrophobicContact CG2-CE2 4.14Å; V221-L272 HydrophobicContact CG2-CD2 3.92Å
222	I	98.4	Very high	95.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.7	-51.3	175.1	-67	164.2	0	0	0	109.8	M134 I137 L154 P156 Y193 A218 C219 F224 T225 L226	M134-I222 HydrophobicContact SD-CG2 3.96Å; I137-I222 HydrophobicContact CD1-CG2 4.23Å; L154-I222 HydrophobicContact CB-CD1 4.23Å; P156-I222 HydrophobicContact CG-CG1 4.34Å; Y193-I222 HydrophobicContact CD1-CG1 4.34Å; Y193-I222 HydrophobicContact CE1-CG1 4.1Å; A218-I222 WeakPolarHBondContact O-CG1 3.5Å; A218-I222 PolarHBondContact O-N 2.93Å; C219-I222 PolarHBondContact O-N 2.87Å; I222-F224 VanDerWaalsContact C-N 3.33Å; I222-F224 PolarHBondContact O-N 3.29Å; I222-T225 PolarHBondContact O-N 3.15Å; I222-T225 VanDerWaalsContact O-N 3.08Å; I222-L226 HydrophobicContact CG2-CD1 4.01Å; I222-L226 HydrophobicContact CG2-CG 4.08Å; I222-L226 WeakPolarHBondContact O-CG 3.47Å; I222-L226 PolarHBondContact O-N 2.77Å
223	M	98.5	Very high	95.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-58.9	-43.4	-178.2	-176.1	170.2	170.2	0	0	112.4	T130 M134 C219 G220 L226 L227 P264 L267 I268 F290	T130-M223 HydrophobicContact CG2-CG 4.29Å; M134-M223 HydrophobicContact CE-CB 3.9Å; M134-M223 HydrophobicContact CG-CB 4.08Å; M134-M223 HydrophobicContact CG-CG 3.97Å; M134-M223 HydrophobicContact CG-SD 4.34Å; M134-M223 HydrophobicContact SD-CB 3.83Å; M134-M223 HydrophobicContact SD-CG 4.39Å; C219-M223 WeakPolarHBondContact O-CB 3.33Å; C219-M223 PolarHBondContact O-N 2.82Å; G220-M223 PolarHBondContact O-N 2.98Å; M223-L226 PolarHBondContact O-N 2.94Å; M223-L227 HydrophobicContact CE-CD1 4.35Å; M223-L227 HydrophobicContact CG-CD1 4.34Å; M223-L227 WeakPolarHBondContact O-CG 3.34Å; M223-L227 PolarHBondContact O-N 3.21Å; M223-P264 HydrophobicContact CE-CB 3.48Å; M223-P264 VanDerWaalsContact CE-CB 3.48Å; M223-L267 HydrophobicContact CE-CB 4.25Å; M223-L267 HydrophobicContact CE-CD2 4.02Å; M223-L267 HydrophobicContact CE-CG 4.42Å; M223-L267 HydrophobicContact SD-CB 4.45Å; M223-L267 HydrophobicContact SD-CD2 3.79Å; M223-L267 HydrophobicContact SD-CG 4.08Å; M223-I268 HydrophobicContact CB-CG1 4.3Å; M223-I268 HydrophobicContact CE-CG1 4.36Å; M223-I268 HydrophobicContact CG-CD1 4.15Å; M223-I268 HydrophobicContact CG-CG1 3.99Å; M223-I268 HydrophobicContact SD-CG1 4.09Å; M223-F290 HydrophobicContact CE-CD1 3.8Å; M223-F290 HydrophobicContact CE-CD2 4.42Å; M223-F290 HydrophobicContact CE-CE1 3.5Å; M223-F290 VanDerWaalsContact CE-CE1 3.5Å; M223-F290 HydrophobicContact CE-CE2 4.18Å; M223-F290 HydrophobicContact CE-CG 4.25Å; M223-F290 HydrophobicContact CE-CZ 3.71Å; M223-F290 HydrophobicContact SD-CE1 4.39Å
224	F	98.1	Very high	95.1	Very high	8 Å²	8	7.6 Å²	7.6	4%	0.035	4%	0.04	C	C	.	.	H	α-helix	trans	-57.2	-52.1	173.3	-173.6	-71	0	0	0	110.3	G220 V221 I222 L226 L227 V228 C230 P232 Y250 F252 W257 I268	G220-F224 WeakPolarHBondContact O-CB 3.39Å; G220-F224 PolarHBondContact O-N 2.94Å; V221-F224 PolarHBondContact O-N 3.4Å; I222-F224 VanDerWaalsContact C-N 3.33Å; I222-F224 PolarHBondContact O-N 3.29Å; F224-L226 VanDerWaalsContact C-N 3.34Å; F224-L226 PolarHBondContact O-N 3.14Å; F224-L227 PolarHBondContact O-N 3.05Å; F224-L227 VanDerWaalsContact O-N 3.14Å; F224-V228 HydrophobicContact CD1-CG2 3.77Å; F224-V228 HydrophobicContact CE1-CG2 3.5Å; F224-V228 HydrophobicContact CZ-CG2 4.27Å; F224-V228 WeakPolarHBondContact O-CG2 3.47Å; F224-V228 PolarHBondContact O-N 3.34Å; F224-C230 VanDerWaalsContact CD1-O 3.22Å; F224-C230 WeakPolarHBondContact CD1-O 3.35Å; F224-C230 WeakPolarHBondContact CE1-O 3.36Å; F224-P232 HydrophobicContact CB-CB 4.39Å; F224-P232 HydrophobicContact CB-CG 4.13Å; F224-P232 HydrophobicContact CD1-CB 3.87Å; F224-P232 HydrophobicContact CD1-CG 4.16Å; F224-P232 HydrophobicContact CD2-CB 3.71Å; F224-P232 HydrophobicContact CD2-CG 4.36Å; F224-P232 HydrophobicContact CE1-CB 4Å; F224-P232 HydrophobicContact CE2-CB 3.85Å; F224-P232 HydrophobicContact CG-CB 3.73Å; F224-P232 HydrophobicContact CG-CG 3.97Å; F224-P232 HydrophobicContact CZ-CB 4Å; F224-Y250 HydrophobicContact CD2-CD2 4.44Å; F224-Y250 HydrophobicContact CE2-CD2 4.06Å; F224-F252 HydrophobicContact CD2-CE1 4.1Å; F224-F252 HydrophobicContact CE2-CD1 4.06Å; F224-F252 AromaticContact CE2-CE1 3.97Å; F224-F252 HydrophobicContact CE2-CE1 3.97Å; F224-W257 AromaticContact CD1-CZ2 3.93Å; F224-W257 HydrophobicContact CD1-CZ2 3.93Å; F224-W257 AromaticContact CD2-CH2 3.92Å; F224-W257 HydrophobicContact CD2-CH2 3.92Å; F224-W257 AromaticContact CD2-CZ2 3.39Å; F224-W257 HydrophobicContact CD2-CZ2 3.39Å; F224-W257 AromaticContact CE1-CZ2 3.85Å; F224-W257 HydrophobicContact CE1-CZ2 3.85Å; F224-W257 AromaticContact CE2-CE2 3.79Å; F224-W257 HydrophobicContact CE2-CH2 4.18Å; F224-W257 AromaticContact CE2-CZ2 3.3Å; F224-W257 HydrophobicContact CE2-CZ2 3.3Å; F224-W257 AromaticContact CE2-NE1 3.92Å; F224-W257 HydrophobicContact CG-CH2 4.24Å; F224-W257 AromaticContact CG-CZ2 3.71Å; F224-W257 HydrophobicContact CG-CZ2 3.71Å; F224-W257 AromaticContact CZ-CE2 3.79Å; F224-W257 AromaticContact CZ-CZ2 3.54Å; F224-W257 HydrophobicContact CZ-CZ2 3.54Å; F224-W257 AromaticContact CZ-NE1 3.51Å; F224-I268 HydrophobicContact CB-CD1 4.11Å; F224-I268 HydrophobicContact CD2-CD1 4.42Å; F224-I268 HydrophobicContact CD2-CG2 4.14Å
225	T	95.2	Very high	94.4	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.018	5%	0.054	C	C	.	.	H	α-helix	trans	-62.3	-38.3	-177.1	-51.9	0	0	0	0	112.5	L119 V221 I222 L227 G229 C230 P231	L119-T225 HydrophobicContact CD2-CG2 3.89Å; V221-T225 WeakPolarHBondContact O-CB 3.22Å; V221-T225 PolarHBondContact O-N 2.95Å; V221-T225 PolarHBondContact O-OG1 2.9Å; I222-T225 PolarHBondContact O-N 3.15Å; I222-T225 VanDerWaalsContact O-N 3.08Å; T225-L227 VanDerWaalsContact C-N 3.31Å; T225-L227 PolarHBondContact O-N 3.02Å; T225-G229 WeakPolarHBondContact O-CA 3.28Å; T225-G229 PolarHBondContact O-N 2.88Å; T225-C230 WeakPolarHBondContact CA-O 3.48Å; T225-P231 WeakPolarHBondContact OG1-CA 3.46Å
226	L	96.2	Very high	93.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64	-35.1	177.3	-69.5	-175.7	0	0	0	112.7	L115 L119 L125 T130 I133 M134 I222 M223 F224	L115-L226 HydrophobicContact CD1-CD2 4.14Å; L115-L226 HydrophobicContact CD2-CD1 4.36Å; L115-L226 HydrophobicContact CD2-CD2 4.12Å; L115-L226 HydrophobicContact CG-CD2 4.13Å; L119-L226 HydrophobicContact CD1-CD2 4.28Å; L119-L226 HydrophobicContact CD2-CD2 4.2Å; L125-L226 WeakPolarHBondContact CB-O 3.22Å; L125-L226 HydrophobicContact CD1-CB 4.26Å; L125-L226 HydrophobicContact CD1-CD1 4.3Å; L125-L226 HydrophobicContact CD1-CD2 3.83Å; L125-L226 HydrophobicContact CD1-CG 4.34Å; L125-L226 PolarHBondContact N-O 3.4Å; T130-L226 HydrophobicContact CG2-CB 4.07Å; T130-L226 HydrophobicContact CG2-CD1 4.28Å; I133-L226 HydrophobicContact CG2-CD1 3.95Å; M134-L226 HydrophobicContact CG-CD1 4.32Å; M134-L226 HydrophobicContact SD-CD1 3.86Å; I222-L226 HydrophobicContact CG2-CD1 4.01Å; I222-L226 HydrophobicContact CG2-CG 4.08Å; I222-L226 WeakPolarHBondContact O-CG 3.47Å; I222-L226 PolarHBondContact O-N 2.77Å; M223-L226 PolarHBondContact O-N 2.94Å; F224-L226 VanDerWaalsContact C-N 3.34Å; F224-L226 PolarHBondContact O-N 3.14Å
227	L	95	Very high	92.7	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-77.6	-40.4	-175.7	-71.4	166.7	0	0	0	112.9	E127 T130 M223 F224 T225 W257 I260 P264 I268	E127-L227 HydrophobicContact CG-CD2 4.01Å; T130-L227 HydrophobicContact CG2-CD2 3.93Å; T130-L227 HydrophobicContact CG2-CG 4.01Å; M223-L227 HydrophobicContact CE-CD1 4.35Å; M223-L227 HydrophobicContact CG-CD1 4.34Å; M223-L227 WeakPolarHBondContact O-CG 3.34Å; M223-L227 PolarHBondContact O-N 3.21Å; F224-L227 PolarHBondContact O-N 3.05Å; F224-L227 VanDerWaalsContact O-N 3.14Å; T225-L227 VanDerWaalsContact C-N 3.31Å; T225-L227 PolarHBondContact O-N 3.02Å; L227-W257 HydrophobicContact CB-CH2 4.24Å; L227-W257 HydrophobicContact CD1-CH2 3.99Å; L227-W257 HydrophobicContact CD1-CZ3 4.07Å; L227-I260 HydrophobicContact CD2-CD1 4.35Å; L227-P264 HydrophobicContact CD1-CB 3.81Å; L227-I268 HydrophobicContact CD1-CD1 3.9Å
228	V	90	Very high	92	Very high	6 Å²	6	27.9 Å²	27.9	4%	0.036	13%	0.127	C	C	.	.	H	α-helix	trans	-118.8	-3.7	-172.5	-62.8	0	0	0	0	114.7	F224 C230 E256 W257	F224-V228 HydrophobicContact CD1-CG2 3.77Å; F224-V228 HydrophobicContact CE1-CG2 3.5Å; F224-V228 HydrophobicContact CZ-CG2 4.27Å; F224-V228 WeakPolarHBondContact O-CG2 3.47Å; F224-V228 PolarHBondContact O-N 3.34Å; V228-C230 PolarHBondContact O-N 3.23Å; V228-E256 HydrophobicContact CB-CB 4.06Å; V228-E256 HydrophobicContact CG1-CB 3.9Å; V228-W257 HydrophobicContact CB-CZ2 4.34Å; V228-W257 HydrophobicContact CG1-CD2 3.78Å; V228-W257 HydrophobicContact CG1-CE3 4.38Å; V228-W257 HydrophobicContact CG1-CG 4.14Å; V228-W257 HydrophobicContact CG1-CH2 4.28Å; V228-W257 HydrophobicContact CG1-CZ2 3.66Å; V228-W257 HydrophobicContact CG2-CZ2 3.7Å
229	G	87.8	Confident	91.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	83.3	-13.4	173.6	0	0	0	0	0	114.7	V123 T225 R397 F401	V123-G229 VanDerWaalsContact O-CA 3.26Å; V123-G229 WeakPolarHBondContact O-CA 3.3Å; T225-G229 WeakPolarHBondContact O-CA 3.28Å; T225-G229 PolarHBondContact O-N 2.88Å; G229-R397 PolarHBondContact O-NE 3.19Å; G229-R397 PolarHBondContact O-NH2 2.97Å; G229-F401 WeakPolarHBondContact O-CE2 3.45Å
230	C	86	Confident	91	Very high	26 Å²	26	36.9 Å²	36.9	18%	0.176	17%	0.173	C	C	.	.	S	Bend	trans	-118.3	147.1	176.1	62.4	0	0	0	0	111.8	F224 T225 V228 F401	F224-C230 VanDerWaalsContact CD1-O 3.22Å; F224-C230 WeakPolarHBondContact CD1-O 3.35Å; F224-C230 WeakPolarHBondContact CE1-O 3.36Å; T225-C230 WeakPolarHBondContact CA-O 3.48Å; V228-C230 PolarHBondContact O-N 3.23Å; C230-F401 HydrophobicContact CB-CD2 3.78Å; C230-F401 HydrophobicContact CB-CE2 4.13Å; C230-F401 HydrophobicContact CB-CG 4.24Å
231	P	91.3	Very high	90.7	Very high	14 Å²	14	37.7 Å²	37.7	9%	0.091	18%	0.177	C	C	.	.			trans	-70.1	151.9	176.1	29.5	-37.9	0	0	0	113.1	T225 F233 W234 A398	T225-P231 WeakPolarHBondContact OG1-CA 3.46Å; P231-F233 VanDerWaalsContact C-N 3.33Å; P231-F233 PolarHBondContact O-N 3.03Å; P231-W234 HydrophobicContact CG-CB 3.94Å; P231-A398 HydrophobicContact CG-CB 4.02Å
232	P	94.1	Very high	90.3	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.104	18%	0.181	C	C	.	.	S	Bend	trans	-67.4	-31.5	179.7	24.6	-31.6	0	0	0	113.4	V221 F224 Y250 L272	V221-P232 HydrophobicContact CB-CG 4.3Å; V221-P232 HydrophobicContact CG1-CG 4.04Å; V221-P232 HydrophobicContact CG2-CG 4.12Å; F224-P232 HydrophobicContact CB-CB 4.39Å; F224-P232 HydrophobicContact CB-CG 4.13Å; F224-P232 HydrophobicContact CD1-CB 3.87Å; F224-P232 HydrophobicContact CD1-CG 4.16Å; F224-P232 HydrophobicContact CD2-CB 3.71Å; F224-P232 HydrophobicContact CD2-CG 4.36Å; F224-P232 HydrophobicContact CE1-CB 4Å; F224-P232 HydrophobicContact CE2-CB 3.85Å; F224-P232 HydrophobicContact CG-CB 3.73Å; F224-P232 HydrophobicContact CG-CG 3.97Å; F224-P232 HydrophobicContact CZ-CB 4Å; P232-Y250 HydrophobicContact CB-CG 4.31Å; P232-L272 HydrophobicContact CB-CD1 4.32Å; P232-L272 HydrophobicContact CG-CD1 4.26Å
233	F	92.6	Very high	90.1	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	21%	0.209	C	C	.	.	S	Bend	trans	-117.6	102.5	-179.7	-47.6	-72.6	0	0	0	108.6	W217 V221 P231 M241 N244 I245 Y250 L272	W217-F233 AromaticContact CE2-CE2 3.91Å; W217-F233 HydrophobicContact CH2-CE2 4.05Å; W217-F233 AromaticContact CH2-CZ 3.7Å; W217-F233 HydrophobicContact CH2-CZ 3.7Å; W217-F233 HydrophobicContact CZ2-CD2 4.22Å; W217-F233 HydrophobicContact CZ2-CE1 4.41Å; W217-F233 AromaticContact CZ2-CE2 3.3Å; W217-F233 HydrophobicContact CZ2-CE2 3.3Å; W217-F233 AromaticContact CZ2-CZ 3.42Å; W217-F233 HydrophobicContact CZ2-CZ 3.42Å; W217-F233 VanDerWaalsContact CZ2-CZ 3.42Å; V221-F233 HydrophobicContact CG2-CD2 4.3Å; V221-F233 HydrophobicContact CG2-CE2 4.14Å; P231-F233 VanDerWaalsContact C-N 3.33Å; P231-F233 PolarHBondContact O-N 3.03Å; F233-M241 HydrophobicContact CB-CG 4.41Å; F233-N244 HydrophobicContact CD1-CB 4.22Å; F233-I245 HydrophobicContact CB-CD1 4.24Å; F233-I245 HydrophobicContact CB-CG1 3.57Å; F233-I245 HydrophobicContact CD1-CG1 4.14Å; F233-I245 HydrophobicContact CD2-CG1 3.83Å; F233-I245 HydrophobicContact CG-CG1 3.57Å; F233-Y250 AromaticContact CE1-CD1 3.83Å; F233-Y250 HydrophobicContact CE1-CD1 3.83Å; F233-Y250 HydrophobicContact CE1-CG 4.28Å; F233-Y250 AromaticContact CZ-CD1 3.75Å; F233-Y250 HydrophobicContact CZ-CD1 3.75Å; F233-Y250 HydrophobicContact CZ-CG 4.34Å; F233-L272 HydrophobicContact CE2-CD1 4.27Å; F233-L272 HydrophobicContact CE2-CD2 4.34Å; F233-L272 HydrophobicContact CZ-CD1 4.28Å
234	W	85.4	Confident	89.8	Confident	60 Å²	60	47.2 Å²	47.2	23%	0.227	22%	0.216	C	C	.	.			trans	-147.4	140.5	172.4	-178	85.4	0	0	0	111.4	P231 R236 A398 A399 E402	P231-W234 HydrophobicContact CG-CB 3.94Å; W234-R236 HydrophobicContact CH2-CG 3.76Å; W234-R236 HydrophobicContact CZ2-CG 4.2Å; W234-R236 HydrophobicContact CZ3-CG 4.46Å; W234-A398 HydrophobicContact CB-CB 3.72Å; W234-A398 HydrophobicContact CD2-CB 3.18Å; W234-A398 HydrophobicContact CE3-CB 3.69Å; W234-A398 HydrophobicContact CG-CB 3.17Å; W234-A398 HydrophobicContact CZ2-CB 4.27Å; W234-A398 HydrophobicContact CZ3-CB 4.4Å; W234-A399 HydrophobicContact CH2-CB 4.33Å; W234-A399 HydrophobicContact CZ2-CB 4Å; W234-E402 HydrophobicContact CH2-CG 3.6Å; W234-E402 WeakPolarHBondContact CH2-OE1 3.44Å; W234-E402 HydrophobicContact CZ3-CG 3.37Å; W234-E402 WeakPolarHBondContact CZ3-OE1 3.27Å
235	H	83.8	Confident	89.7	Confident	72 Å²	72	46.9 Å²	46.9	33%	0.333	22%	0.215	S	C	.	.			trans	-158.8	144.6	173.5	-170.3	-89.4	0	0	0	109.1	K237 V240 M241	H235-K237 VanDerWaalsContact C-N 3.26Å; H235-K237 WeakPolarHBondContact ND1-CB 3.38Å; H235-K237 PolarHBondContact ND1-N 2.98Å; H235-K237 PolarHBondContact ND1-O 3.46Å; H235-K237 PolarHBondContact O-N 3.35Å; H235-V240 HydrophobicContact CB-CB 4.13Å; H235-V240 HydrophobicContact CB-CG1 4.11Å; H235-V240 WeakPolarHBondContact ND1-CB 3.49Å; H235-M241 HydrophobicContact CB-CB 4.16Å
236	R	77.9	Confident	89.7	Confident	122 Å²	122	48.7 Å²	48.7	46%	0.46	22%	0.223	S	C	.	.	S	Bend	trans	-56.3	-39.3	178.7	-63.3	-178	-180	172.7	1.4	113.3	W234 E402	W234-R236 HydrophobicContact CH2-CG 3.76Å; W234-R236 HydrophobicContact CZ2-CG 4.2Å; W234-R236 HydrophobicContact CZ3-CG 4.46Å; R236-E402 IonicContact CZ-OE1 2.83Å; R236-E402 IonicContact CZ-OE2 3.65Å; R236-E402 VanDerWaalsContact NE-CD 3.3Å; R236-E402 IonicContact NE-OE1 3.35Å; R236-E402 PolarHBondContact NE-OE1 2.94Å; R236-E402 IonicContact NE-OE2 3.75Å; R236-E402 PolarHBondContact NE-OE2 3.37Å; R236-E402 IonicContact NH2-OE1 3.04Å; R236-E402 IonicContact NH2-OE2 2.65Å; R236-E402 PolarHBondContact NH2-OE2 2.96Å
237	K	83	Confident	89.6	Confident	148 Å²	148	53.1 Å²	53.1	64%	0.643	24%	0.244	S	C	*	.	S	Bend	trans	-84.6	110.8	171.3	-59	-177.5	-179.4	-180	0	109.4	H235 M239 V240 M241	H235-K237 VanDerWaalsContact C-N 3.26Å; H235-K237 WeakPolarHBondContact ND1-CB 3.38Å; H235-K237 PolarHBondContact ND1-N 2.98Å; H235-K237 PolarHBondContact ND1-O 3.46Å; H235-K237 PolarHBondContact O-N 3.35Å; K237-M239 VanDerWaalsContact C-N 3.28Å; K237-M239 PolarHBondContact O-N 3.11Å; K237-V240 HydrophobicContact CB-CB 4.43Å; K237-V240 HydrophobicContact CB-CG2 3.95Å; K237-V240 WeakPolarHBondContact O-CB 3.41Å; K237-V240 PolarHBondContact O-N 3.36Å; K237-M241 PolarHBondContact O-N 3.29Å
238	Q	85.1	Confident	89.7	Confident	99 Å²	99	53.7 Å²	53.7	46%	0.463	25%	0.251	S	S	.	.	H	α-helix	trans	-51.8	-42.8	-179	-178.9	173.4	-21.2	0	0	112.9	V240 M241 L242	Q238-V240 PolarHBondContact O-N 3.22Å; Q238-M241 HydrophobicContact CG-CE 4.25Å; Q238-M241 WeakPolarHBondContact O-CA 3.46Å; Q238-M241 WeakPolarHBondContact O-CB 3.39Å; Q238-M241 PolarHBondContact O-N 3.34Å; Q238-L242 HydrophobicContact CG-CD1 4.25Å; Q238-L242 HydrophobicContact CG-CG 4.27Å; Q238-L242 WeakPolarHBondContact O-CG 3.15Å; Q238-L242 PolarHBondContact O-N 3.26Å
239	M	87.3	Confident	89.9	Confident	144 Å²	144	59.7 Å²	59.7	71%	0.709	28%	0.277	S	S	*	.	H	α-helix	trans	-59.8	-31.5	178.8	-66	-60.3	-101.7	0	0	113.6	K237 L242 R243	K237-M239 VanDerWaalsContact C-N 3.28Å; K237-M239 PolarHBondContact O-N 3.11Å; M239-L242 HydrophobicContact SD-CD1 4.24Å; M239-R243 WeakPolarHBondContact O-CB 3.2Å; M239-R243 PolarHBondContact O-N 3.09Å
240	V	89	Confident	90.2	Very high	50 Å²	50	62.1 Å²	62.1	30%	0.303	29%	0.286	S	S	.	.	H	α-helix	trans	-75	-38	175.7	179.7	0	0	0	0	110.7	H235 K237 Q238 R243 N244	H235-V240 HydrophobicContact CB-CB 4.13Å; H235-V240 HydrophobicContact CB-CG1 4.11Å; H235-V240 WeakPolarHBondContact ND1-CB 3.49Å; K237-V240 HydrophobicContact CB-CB 4.43Å; K237-V240 HydrophobicContact CB-CG2 3.95Å; K237-V240 WeakPolarHBondContact O-CB 3.41Å; K237-V240 PolarHBondContact O-N 3.36Å; Q238-V240 PolarHBondContact O-N 3.22Å; V240-R243 PolarHBondContact O-N 3.17Å; V240-N244 VanDerWaalsContact O-CG 3.28Å; V240-N244 PolarHBondContact O-N 3.33Å
241	M	90.8	Very high	90.5	Very high	16 Å²	16	64.1 Å²	64.1	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-48.1	173	178.4	-174.2	77.7	0	0	110.8	P191 F233 H235 K237 Q238 R243 N244 I245	P191-M241 HydrophobicContact CB-CE 3.78Å; F233-M241 HydrophobicContact CB-CG 4.41Å; H235-M241 HydrophobicContact CB-CB 4.16Å; K237-M241 PolarHBondContact O-N 3.29Å; Q238-M241 HydrophobicContact CG-CE 4.25Å; Q238-M241 WeakPolarHBondContact O-CA 3.46Å; Q238-M241 WeakPolarHBondContact O-CB 3.39Å; Q238-M241 PolarHBondContact O-N 3.34Å; M241-R243 VanDerWaalsContact C-N 3.3Å; M241-R243 PolarHBondContact O-N 3.32Å; M241-N244 WeakPolarHBondContact O-CB 3.41Å; M241-N244 PolarHBondContact O-N 2.71Å; M241-N244 VanDerWaalsContact O-N 3.14Å; M241-I245 HydrophobicContact CG-CD1 4.28Å; M241-I245 WeakPolarHBondContact O-CG1 3.42Å; M241-I245 PolarHBondContact O-N 3.33Å
242	L	91.1	Very high	90.6	Very high	17 Å²	17	65.8 Å²	65.8	9%	0.089	31%	0.307	C	S	.	.	H	α-helix	trans	-59.7	-41.1	176.4	-64.2	-178.7	0	0	0	111.6	P191 L199 M203 Q238 M239 I245 M246	P191-L242 HydrophobicContact CB-CD2 4.47Å; L199-L242 HydrophobicContact CD1-CB 4.36Å; L199-L242 HydrophobicContact CD1-CD2 3.99Å; L199-L242 HydrophobicContact CD2-CD2 3.91Å; M203-L242 HydrophobicContact CE-CD1 4.28Å; Q238-L242 HydrophobicContact CG-CD1 4.25Å; Q238-L242 HydrophobicContact CG-CG 4.27Å; Q238-L242 WeakPolarHBondContact O-CG 3.15Å; Q238-L242 PolarHBondContact O-N 3.26Å; M239-L242 HydrophobicContact SD-CD1 4.24Å; L242-I245 HydrophobicContact CD2-CD1 4.39Å; L242-I245 WeakPolarHBondContact O-CB 3.48Å; L242-I245 PolarHBondContact O-N 3.27Å; L242-M246 WeakPolarHBondContact O-CG 3.28Å; L242-M246 PolarHBondContact O-N 3.48Å
243	R	93.2	Very high	90.1	Very high	156 Å²	156	68.6 Å²	68.6	59%	0.589	32%	0.324	S	S	*	.	H	α-helix	trans	-61.4	-45.1	173.6	-177.7	177.8	177.2	170.2	3.7	112.3	M239 V240 M241 I245 M246 E247	M239-R243 WeakPolarHBondContact O-CB 3.2Å; M239-R243 PolarHBondContact O-N 3.09Å; V240-R243 PolarHBondContact O-N 3.17Å; M241-R243 VanDerWaalsContact C-N 3.3Å; M241-R243 PolarHBondContact O-N 3.32Å; R243-I245 VanDerWaalsContact C-N 3.28Å; R243-I245 PolarHBondContact O-N 3.19Å; R243-M246 PolarHBondContact O-N 2.77Å; R243-E247 HydrophobicContact CG-CG 4.41Å; R243-E247 IonicContact CZ-OE1 2.78Å; R243-E247 IonicContact NE-OE1 3.71Å; R243-E247 PolarHBondContact NE-OE1 2.8Å; R243-E247 IonicContact NH2-OE1 3.5Å; R243-E247 PolarHBondContact NH2-OE1 3.11Å; R243-E247 VanDerWaalsContact NH2-OE1 3.15Å; R243-E247 WeakPolarHBondContact O-CB 3.28Å; R243-E247 WeakPolarHBondContact O-CG 3.26Å; R243-E247 PolarHBondContact O-N 2.94Å
244	N	93.9	Very high	89.3	Confident	28 Å²	28	73 Å²	73	15%	0.15	36%	0.355	C	S	.	.	H	α-helix	trans	-61.4	-38.1	176.9	-70.6	-17.9	0	0	0	111.6	F233 V240 M241 G248 K249	F233-N244 HydrophobicContact CD1-CB 4.22Å; V240-N244 VanDerWaalsContact O-CG 3.28Å; V240-N244 PolarHBondContact O-N 3.33Å; M241-N244 WeakPolarHBondContact O-CB 3.41Å; M241-N244 PolarHBondContact O-N 2.71Å; M241-N244 VanDerWaalsContact O-N 3.14Å; N244-G248 PolarHBondContact O-N 3.17Å; N244-K249 HydrophobicContact CB-CB 4.32Å; N244-K249 PolarHBondContact O-N 2.79Å
245	I	95.7	Very high	89	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.6	-53.5	172.8	-67.9	166.9	0	0	0	109.5	P191 L194 P196 L199 W217 F233 M241 L242 R243 E247 G248	P191-I245 VanDerWaalsContact O-CD1 3.27Å; P191-I245 WeakPolarHBondContact O-CD1 3.41Å; L194-I245 VanDerWaalsContact O-CG2 3.23Å; L194-I245 WeakPolarHBondContact O-CG2 3.26Å; P196-I245 HydrophobicContact CG-CG2 4.32Å; P196-I245 WeakPolarHBondContact CG-O 3.27Å; L199-I245 HydrophobicContact CD1-CB 4.03Å; L199-I245 HydrophobicContact CD1-CG2 3.64Å; W217-I245 HydrophobicContact CZ2-CG2 3.92Å; F233-I245 HydrophobicContact CB-CD1 4.24Å; F233-I245 HydrophobicContact CB-CG1 3.57Å; F233-I245 HydrophobicContact CD1-CG1 4.14Å; F233-I245 HydrophobicContact CD2-CG1 3.83Å; F233-I245 HydrophobicContact CG-CG1 3.57Å; M241-I245 HydrophobicContact CG-CD1 4.28Å; M241-I245 WeakPolarHBondContact O-CG1 3.42Å; M241-I245 PolarHBondContact O-N 3.33Å; L242-I245 HydrophobicContact CD2-CD1 4.39Å; L242-I245 WeakPolarHBondContact O-CB 3.48Å; L242-I245 PolarHBondContact O-N 3.27Å; R243-I245 VanDerWaalsContact C-N 3.28Å; R243-I245 PolarHBondContact O-N 3.19Å; I245-E247 VanDerWaalsContact C-N 3.26Å; I245-E247 PolarHBondContact O-N 3.43Å; I245-G248 PolarHBondContact O-N 3.11Å
246	M	94	Very high	88.8	Confident	41 Å²	41	70.9 Å²	70.9	20%	0.202	35%	0.35	C	S	.	.	H	α-helix	trans	-58.7	-35	-178.7	-70.5	176.8	75.5	0	0	113.8	L199 K200 M203 F204 L242 R243	L199-M246 HydrophobicContact CB-CG 4.22Å; L199-M246 HydrophobicContact CD1-CG 3.92Å; K200-M246 HydrophobicContact CG-CE 4.29Å; M203-M246 HydrophobicContact CE-SD 4.13Å; M203-M246 HydrophobicContact SD-CE 3.91Å; M203-M246 HydrophobicContact SD-SD 3.52Å; F204-M246 HydrophobicContact CE2-CE 3.74Å; F204-M246 HydrophobicContact CZ-CE 4.28Å; L242-M246 WeakPolarHBondContact O-CG 3.28Å; L242-M246 PolarHBondContact O-N 3.48Å; R243-M246 PolarHBondContact O-N 2.77Å
247	E	95.6	Very high	89.3	Confident	94 Å²	94	65.3 Å²	65.3	44%	0.439	33%	0.329	S	S	.	.	H	α-helix	trans	-85.5	-8	177.5	-67.8	177.2	-177.9	0	0	112.9	R243 I245 K249	R243-E247 HydrophobicContact CG-CG 4.41Å; R243-E247 IonicContact CZ-OE1 2.78Å; R243-E247 IonicContact NE-OE1 3.71Å; R243-E247 PolarHBondContact NE-OE1 2.8Å; R243-E247 IonicContact NH2-OE1 3.5Å; R243-E247 PolarHBondContact NH2-OE1 3.11Å; R243-E247 VanDerWaalsContact NH2-OE1 3.15Å; R243-E247 WeakPolarHBondContact O-CB 3.28Å; R243-E247 WeakPolarHBondContact O-CG 3.26Å; R243-E247 PolarHBondContact O-N 2.94Å; I245-E247 VanDerWaalsContact C-N 3.26Å; I245-E247 PolarHBondContact O-N 3.43Å; E247-K249 HydrophobicContact CB-CB 4.22Å; E247-K249 PolarHBondContact O-N 2.95Å
248	G	95.8	Very high	89.3	Confident	17 Å²	17	61.1 Å²	61.1	18%	0.175	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	30.2	-172.4	0	0	0	0	0	112.9	N244 I245 Y250	N244-G248 PolarHBondContact O-N 3.17Å; I245-G248 PolarHBondContact O-N 3.11Å; G248-Y250 VanDerWaalsContact O-CD1 3.25Å; G248-Y250 WeakPolarHBondContact O-CD1 3.05Å; G248-Y250 PolarHBondContact O-N 3.46Å
249	K	94.8	Very high	89.1	Confident	133 Å²	133	59.5 Å²	59.5	58%	0.578	32%	0.317	S	S	*	.			trans	-87.4	93.3	-172.6	-170.6	178.7	-179.1	178.5	0	111.4	N244 E247	N244-K249 HydrophobicContact CB-CB 4.32Å; N244-K249 PolarHBondContact O-N 2.79Å; E247-K249 HydrophobicContact CB-CB 4.22Å; E247-K249 PolarHBondContact O-N 2.95Å
250	Y	94.9	Very high	89.3	Confident	50 Å²	50	53.6 Å²	53.6	20%	0.196	29%	0.288	C	S	.	.			trans	-135.9	167.2	169.9	67.4	-81.9	0	0	0	109.7	F224 P232 F233 G248 F252 I268 R269 L272	F224-Y250 HydrophobicContact CD2-CD2 4.44Å; F224-Y250 HydrophobicContact CE2-CD2 4.06Å; P232-Y250 HydrophobicContact CB-CG 4.31Å; F233-Y250 AromaticContact CE1-CD1 3.83Å; F233-Y250 HydrophobicContact CE1-CD1 3.83Å; F233-Y250 HydrophobicContact CE1-CG 4.28Å; F233-Y250 AromaticContact CZ-CD1 3.75Å; F233-Y250 HydrophobicContact CZ-CD1 3.75Å; F233-Y250 HydrophobicContact CZ-CG 4.34Å; G248-Y250 VanDerWaalsContact O-CD1 3.25Å; G248-Y250 WeakPolarHBondContact O-CD1 3.05Å; G248-Y250 PolarHBondContact O-N 3.46Å; Y250-F252 HydrophobicContact CD2-CZ 4.46Å; Y250-F252 HydrophobicContact CE2-CE1 4.11Å; Y250-F252 HydrophobicContact CE2-CE2 4.06Å; Y250-F252 AromaticContact CE2-CZ 3.67Å; Y250-F252 HydrophobicContact CE2-CZ 3.67Å; Y250-I268 HydrophobicContact CE2-CG2 4.13Å; Y250-R269 VanDerWaalsContact OH-CA 3.3Å; Y250-R269 WeakPolarHBondContact OH-CA 3.48Å; Y250-L272 HydrophobicContact CD1-CB 4.46Å; Y250-L272 HydrophobicContact CD1-CD1 4.12Å; Y250-L272 HydrophobicContact CD2-CD1 4.37Å; Y250-L272 HydrophobicContact CE1-CB 3.68Å; Y250-L272 HydrophobicContact CE1-CD1 3.93Å; Y250-L272 HydrophobicContact CE1-CG 4.47Å; Y250-L272 HydrophobicContact CE2-CD1 4.19Å; Y250-L272 HydrophobicContact CG-CD1 4.35Å
251	S	91.9	Very high	89.5	Confident	69 Å²	69	53.4 Å²	53.4	48%	0.483	29%	0.289	S	S	.	.			trans	-147.3	152.8	-178.9	60.6	0	0	0	0	112.2	T253	S251-T253 PolarHBondContact O-N 3.06Å; S251-T253 WeakPolarHBondContact OG-CG2 3.37Å
252	F	91.9	Very high	89.7	Confident	48 Å²	48	57.6 Å²	57.6	21%	0.211	31%	0.308	C	S	.	.			trans	-95.8	68	175.5	-57.9	-60.1	0	0	0	109.6	F224 Y250 W257 K265 I268 R269	F224-F252 HydrophobicContact CD2-CE1 4.1Å; F224-F252 HydrophobicContact CE2-CD1 4.06Å; F224-F252 AromaticContact CE2-CE1 3.97Å; F224-F252 HydrophobicContact CE2-CE1 3.97Å; Y250-F252 HydrophobicContact CD2-CZ 4.46Å; Y250-F252 HydrophobicContact CE2-CE1 4.11Å; Y250-F252 HydrophobicContact CE2-CE2 4.06Å; Y250-F252 AromaticContact CE2-CZ 3.67Å; Y250-F252 HydrophobicContact CE2-CZ 3.67Å; F252-W257 HydrophobicContact CB-CB 3.99Å; F252-W257 HydrophobicContact CB-CD2 4.05Å; F252-W257 HydrophobicContact CB-CE3 4.46Å; F252-W257 HydrophobicContact CB-CG 3.81Å; F252-W257 AromaticContact CD1-CD2 3.49Å; F252-W257 HydrophobicContact CD1-CD2 3.49Å; F252-W257 VanDerWaalsContact CD1-CD2 3.49Å; F252-W257 AromaticContact CD1-CE2 3.57Å; F252-W257 AromaticContact CD1-CE3 3.58Å; F252-W257 HydrophobicContact CD1-CE3 3.58Å; F252-W257 HydrophobicContact CD1-CG 4.14Å; F252-W257 AromaticContact CD1-CH2 3.87Å; F252-W257 HydrophobicContact CD1-CH2 3.87Å; F252-W257 AromaticContact CD1-CZ2 3.79Å; F252-W257 HydrophobicContact CD1-CZ2 3.79Å; F252-W257 AromaticContact CD1-CZ3 3.75Å; F252-W257 HydrophobicContact CD1-CZ3 3.75Å; F252-W257 HydrophobicContact CE1-CD2 4.37Å; F252-W257 HydrophobicContact CE1-CE3 4.16Å; F252-W257 AromaticContact CE1-CH2 3.78Å; F252-W257 HydrophobicContact CE1-CH2 3.78Å; F252-W257 HydrophobicContact CE1-CZ2 4.01Å; F252-W257 AromaticContact CE1-CZ3 3.84Å; F252-W257 HydrophobicContact CE1-CZ3 3.84Å; F252-W257 HydrophobicContact CG-CD2 4.2Å; F252-W257 HydrophobicContact CG-CE3 4.33Å; F252-W257 HydrophobicContact CG-CG 4.47Å; F252-K265 HydrophobicContact CD1-CG 4.3Å; F252-K265 HydrophobicContact CD2-CB 4.48Å; F252-K265 HydrophobicContact CE1-CB 4.45Å; F252-K265 HydrophobicContact CE1-CG 4.32Å; F252-K265 HydrophobicContact CE2-CB 4.15Å; F252-K265 HydrophobicContact CG-CG 4.36Å; F252-K265 HydrophobicContact CZ-CB 4.09Å; F252-K265 HydrophobicContact CZ-CG 4.43Å; F252-I268 HydrophobicContact CE1-CB 4.43Å; F252-I268 HydrophobicContact CE1-CD1 4.42Å; F252-I268 HydrophobicContact CE1-CG2 4.01Å; F252-I268 HydrophobicContact CZ-CB 4.18Å; F252-I268 HydrophobicContact CZ-CG2 3.88Å; F252-R269 HydrophobicContact CE2-CG 3.76Å; F252-R269 HydrophobicContact CZ-CG 4.1Å
253	T	85.4	Confident	89.9	Confident	76 Å²	76	59.4 Å²	59.4	47%	0.466	32%	0.318	S	S	.	.			trans	-74.5	149.3	-175.8	45.7	0	0	0	0	112.7	S251 W257	S251-T253 PolarHBondContact O-N 3.06Å; S251-T253 WeakPolarHBondContact OG-CG2 3.37Å; T253-W257 WeakPolarHBondContact O-CB 3.42Å; T253-W257 VanDerWaalsContact O-CD1 3.32Å; T253-W257 PolarHBondContact O-N 3.01Å; T253-W257 VanDerWaalsContact O-N 3.16Å
254	S	75.8	Confident	90.1	Very high	93 Å²	93	52 Å²	52	65%	0.65	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	150	167.6	-67.8	0	0	0	0	109.7
255	P	77.9	Confident	90.3	Very high	37 Å²	37	51.6 Å²	51.6	24%	0.24	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.7	-8.3	10.7	35.9	-38.1	0	0	0	116.1	W257 A258 R374	P255-W257 PolarHBondContact O-N 3.4Å; P255-A258 WeakPolarHBondContact O-CB 3.33Å; P255-A258 PolarHBondContact O-N 3.37Å; P255-R374 PolarHBondContact O-NH1 3.42Å
256	E	80.3	Confident	90.4	Very high	50 Å²	50	54.2 Å²	54.2	23%	0.234	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-41.2	-170.5	-60.4	71.8	-154.7	0	0	112.3	V228	V228-E256 HydrophobicContact CB-CB 4.06Å; V228-E256 HydrophobicContact CG1-CB 3.9Å
257	W	88	Confident	90.6	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.019	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.1	-176.7	-70.6	92.4	0	0	0	114.8	F224 L227 V228 F252 T253 P255 D259 I260 K265 I268	F224-W257 AromaticContact CD1-CZ2 3.93Å; F224-W257 HydrophobicContact CD1-CZ2 3.93Å; F224-W257 AromaticContact CD2-CH2 3.92Å; F224-W257 HydrophobicContact CD2-CH2 3.92Å; F224-W257 AromaticContact CD2-CZ2 3.39Å; F224-W257 HydrophobicContact CD2-CZ2 3.39Å; F224-W257 AromaticContact CE1-CZ2 3.85Å; F224-W257 HydrophobicContact CE1-CZ2 3.85Å; F224-W257 AromaticContact CE2-CE2 3.79Å; F224-W257 HydrophobicContact CE2-CH2 4.18Å; F224-W257 AromaticContact CE2-CZ2 3.3Å; F224-W257 HydrophobicContact CE2-CZ2 3.3Å; F224-W257 AromaticContact CE2-NE1 3.92Å; F224-W257 HydrophobicContact CG-CH2 4.24Å; F224-W257 AromaticContact CG-CZ2 3.71Å; F224-W257 HydrophobicContact CG-CZ2 3.71Å; F224-W257 AromaticContact CZ-CE2 3.79Å; F224-W257 AromaticContact CZ-CZ2 3.54Å; F224-W257 HydrophobicContact CZ-CZ2 3.54Å; F224-W257 AromaticContact CZ-NE1 3.51Å; L227-W257 HydrophobicContact CB-CH2 4.24Å; L227-W257 HydrophobicContact CD1-CH2 3.99Å; L227-W257 HydrophobicContact CD1-CZ3 4.07Å; V228-W257 HydrophobicContact CB-CZ2 4.34Å; V228-W257 HydrophobicContact CG1-CD2 3.78Å; V228-W257 HydrophobicContact CG1-CE3 4.38Å; V228-W257 HydrophobicContact CG1-CG 4.14Å; V228-W257 HydrophobicContact CG1-CH2 4.28Å; V228-W257 HydrophobicContact CG1-CZ2 3.66Å; V228-W257 HydrophobicContact CG2-CZ2 3.7Å; F252-W257 HydrophobicContact CB-CB 3.99Å; F252-W257 HydrophobicContact CB-CD2 4.05Å; F252-W257 HydrophobicContact CB-CE3 4.46Å; F252-W257 HydrophobicContact CB-CG 3.81Å; F252-W257 AromaticContact CD1-CD2 3.49Å; F252-W257 HydrophobicContact CD1-CD2 3.49Å; F252-W257 VanDerWaalsContact CD1-CD2 3.49Å; F252-W257 AromaticContact CD1-CE2 3.57Å; F252-W257 AromaticContact CD1-CE3 3.58Å; F252-W257 HydrophobicContact CD1-CE3 3.58Å; F252-W257 HydrophobicContact CD1-CG 4.14Å; F252-W257 AromaticContact CD1-CH2 3.87Å; F252-W257 HydrophobicContact CD1-CH2 3.87Å; F252-W257 AromaticContact CD1-CZ2 3.79Å; F252-W257 HydrophobicContact CD1-CZ2 3.79Å; F252-W257 AromaticContact CD1-CZ3 3.75Å; F252-W257 HydrophobicContact CD1-CZ3 3.75Å; F252-W257 HydrophobicContact CE1-CD2 4.37Å; F252-W257 HydrophobicContact CE1-CE3 4.16Å; F252-W257 AromaticContact CE1-CH2 3.78Å; F252-W257 HydrophobicContact CE1-CH2 3.78Å; F252-W257 HydrophobicContact CE1-CZ2 4.01Å; F252-W257 AromaticContact CE1-CZ3 3.84Å; F252-W257 HydrophobicContact CE1-CZ3 3.84Å; F252-W257 HydrophobicContact CG-CD2 4.2Å; F252-W257 HydrophobicContact CG-CE3 4.33Å; F252-W257 HydrophobicContact CG-CG 4.47Å; T253-W257 WeakPolarHBondContact O-CB 3.42Å; T253-W257 VanDerWaalsContact O-CD1 3.32Å; T253-W257 PolarHBondContact O-N 3.01Å; T253-W257 VanDerWaalsContact O-N 3.16Å; P255-W257 PolarHBondContact O-N 3.4Å; W257-D259 PolarHBondContact O-N 2.8Å; W257-I260 HydrophobicContact CE3-CB 3.97Å; W257-I260 HydrophobicContact CE3-CG1 4.14Å; W257-I260 HydrophobicContact CE3-CG2 3.91Å; W257-I260 HydrophobicContact CZ3-CB 4.42Å; W257-I260 HydrophobicContact CZ3-CG2 3.88Å; W257-I260 PolarHBondContact O-N 3.04Å; W257-K265 HydrophobicContact CE3-CD 4.37Å; W257-K265 HydrophobicContact CE3-CG 3.79Å; W257-K265 HydrophobicContact CZ3-CG 3.84Å; W257-K265 WeakPolarHBondContact O-CE 3.42Å; W257-K265 PolarHBondContact O-NZ 3.49Å; W257-I268 HydrophobicContact CH2-CD1 3.55Å; W257-I268 HydrophobicContact CZ3-CD1 4.12Å
258	A	82.8	Confident	90.8	Very high	60 Å²	60	47.8 Å²	47.8	50%	0.496	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-34.9	-177.2	0	0	0	0	0	112	P255	P255-A258 WeakPolarHBondContact O-CB 3.33Å; P255-A258 PolarHBondContact O-N 3.37Å
259	D	82	Confident	90.9	Very high	65 Å²	65	51.4 Å²	51.4	35%	0.348	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	11.3	-174.7	-54.5	-67.6	0	0	0	114.3	W257 K371 R374	W257-D259 PolarHBondContact O-N 2.8Å; D259-K371 HydrophobicContact CB-CD 3.78Å; D259-K371 VanDerWaalsContact CB-CE 3.47Å; D259-K371 VanDerWaalsContact CG-CD 3.49Å; D259-K371 WeakPolarHBondContact OD2-CB 3.46Å; D259-K371 VanDerWaalsContact OD2-CD 3.31Å; D259-K371 WeakPolarHBondContact OD2-CD 3.43Å; D259-K371 VanDerWaalsContact OD2-CG 3.22Å; D259-K371 WeakPolarHBondContact OD2-CG 3.38Å; D259-R374 IonicContact OD2-NH1 2.65Å; D259-R374 PolarHBondContact OD2-NH1 2.87Å
260	I	90.1	Very high	91.1	Very high	21 Å²	21	48.9 Å²	48.9	11%	0.108	27%	0.268	C	S	.	.	S	Bend	trans	-102	131.2	179.7	-58.4	-60.7	0	0	0	109.3	E127 L227 W257 P264 K265	E127-I260 HydrophobicContact CG-CD1 4.29Å; E127-I260 WeakPolarHBondContact OE1-CA 3.4Å; L227-I260 HydrophobicContact CD2-CD1 4.35Å; W257-I260 HydrophobicContact CE3-CB 3.97Å; W257-I260 HydrophobicContact CE3-CG1 4.14Å; W257-I260 HydrophobicContact CE3-CG2 3.91Å; W257-I260 HydrophobicContact CZ3-CB 4.42Å; W257-I260 HydrophobicContact CZ3-CG2 3.88Å; W257-I260 PolarHBondContact O-N 3.04Å; I260-P264 HydrophobicContact CG2-CB 4.41Å; I260-P264 HydrophobicContact CG2-CG 3.56Å; I260-K265 HydrophobicContact CG2-CG 4.39Å; I260-K265 VanDerWaalsContact O-CE 3.28Å; I260-K265 WeakPolarHBondContact O-CE 3.33Å; I260-K265 PolarHBondContact O-NZ 3.16Å
261	S	93.3	Very high	91.3	Very high	45 Å²	45	46.5 Å²	46.5	32%	0.315	26%	0.259	S	S	.	.			trans	-65.6	166.7	-180	72.4	0	0	0	0	112.7	E127 P264	E127-S261 PolarHBondContact OE1-N 2.97Å; E127-S261 PolarHBondContact OE1-OG 3.36Å; E127-S261 PolarHBondContact OE2-OG 2.98Å; S261-P264 VanDerWaalsContact O-CD 3.32Å; S261-P264 WeakPolarHBondContact O-CD 3.25Å; S261-P264 VanDerWaalsContact O-CG 3.32Å; S261-P264 WeakPolarHBondContact O-CG 3.45Å; S261-P264 WeakPolarHBondContact OG-CD 3.43Å
262	E	94.9	Very high	91.6	Very high	105 Å²	105	43.5 Å²	43.5	49%	0.491	24%	0.237	S	C	.	.	H	α-helix	trans	-73.5	-31.9	-179.1	-77.9	-53.5	126.2	0	0	113.7	K265 D266 R269	E262-K265 WeakPolarHBondContact O-CB 3.33Å; E262-K265 PolarHBondContact O-N 3.33Å; E262-K265 VanDerWaalsContact OE1-CD 3.24Å; E262-K265 WeakPolarHBondContact OE1-CD 3.42Å; E262-K265 IonicContact OE1-NZ 2.64Å; E262-K265 PolarHBondContact OE1-NZ 3.48Å; E262-D266 WeakPolarHBondContact O-CB 3.29Å; E262-D266 PolarHBondContact O-N 2.84Å; E262-R269 IonicContact OE2-CZ 3.13Å; E262-R269 IonicContact OE2-NH1 2.96Å; E262-R269 PolarHBondContact OE2-NH1 2.7Å; E262-R269 IonicContact OE2-NH2 2.92Å; E262-R269 PolarHBondContact OE2-NH2 3.35Å
263	D	96.3	Very high	91.9	Very high	54 Å²	54	43.1 Å²	43.1	29%	0.289	24%	0.239	S	C	.	.	H	α-helix	trans	-52.4	-49.6	-179.9	-69.1	-7.4	0	0	0	113.9	L267 H288 F290	D263-L267 PolarHBondContact O-N 3.04Å; D263-L267 VanDerWaalsContact O-N 3.11Å; D263-H288 PolarHBondContact O-CE1 3.14Å; D263-F290 HydrophobicContact CB-CB 4.25Å; D263-F290 HydrophobicContact CB-CD2 4.27Å
264	P	97	Very high	92.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-34.8	175.3	24.6	-33.3	0	0	0	113.2	E127 M223 L227 I260 S261 L267 I268 F290	E127-P264 HydrophobicContact CG-CG 4.47Å; M223-P264 HydrophobicContact CE-CB 3.48Å; M223-P264 VanDerWaalsContact CE-CB 3.48Å; L227-P264 HydrophobicContact CD1-CB 3.81Å; I260-P264 HydrophobicContact CG2-CB 4.41Å; I260-P264 HydrophobicContact CG2-CG 3.56Å; S261-P264 VanDerWaalsContact O-CD 3.32Å; S261-P264 WeakPolarHBondContact O-CD 3.25Å; S261-P264 VanDerWaalsContact O-CG 3.32Å; S261-P264 WeakPolarHBondContact O-CG 3.45Å; S261-P264 WeakPolarHBondContact OG-CD 3.43Å; P264-L267 PolarHBondContact O-N 3.18Å; P264-I268 VanDerWaalsContact O-CG1 3.28Å; P264-I268 WeakPolarHBondContact O-CG1 3.07Å; P264-I268 PolarHBondContact O-N 3.38Å; P264-F290 HydrophobicContact CB-CD2 3.92Å; P264-F290 HydrophobicContact CB-CE2 3.7Å; P264-F290 HydrophobicContact CB-CZ 4.32Å; P264-F290 HydrophobicContact CG-CD2 4.35Å; P264-F290 HydrophobicContact CG-CE2 4.17Å
265	K	98.1	Very high	93.5	Very high	21 Å²	21	40.7 Å²	40.7	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-43.3	177	-67.6	168.3	176.8	163.2	0	110.9	F252 W257 I260 E262 I268 R269	F252-K265 HydrophobicContact CD1-CG 4.3Å; F252-K265 HydrophobicContact CD2-CB 4.48Å; F252-K265 HydrophobicContact CE1-CB 4.45Å; F252-K265 HydrophobicContact CE1-CG 4.32Å; F252-K265 HydrophobicContact CE2-CB 4.15Å; F252-K265 HydrophobicContact CG-CG 4.36Å; F252-K265 HydrophobicContact CZ-CB 4.09Å; F252-K265 HydrophobicContact CZ-CG 4.43Å; W257-K265 HydrophobicContact CE3-CD 4.37Å; W257-K265 HydrophobicContact CE3-CG 3.79Å; W257-K265 HydrophobicContact CZ3-CG 3.84Å; W257-K265 WeakPolarHBondContact O-CE 3.42Å; W257-K265 PolarHBondContact O-NZ 3.49Å; I260-K265 HydrophobicContact CG2-CG 4.39Å; I260-K265 VanDerWaalsContact O-CE 3.28Å; I260-K265 WeakPolarHBondContact O-CE 3.33Å; I260-K265 PolarHBondContact O-NZ 3.16Å; E262-K265 WeakPolarHBondContact O-CB 3.33Å; E262-K265 PolarHBondContact O-N 3.33Å; E262-K265 VanDerWaalsContact OE1-CD 3.24Å; E262-K265 WeakPolarHBondContact OE1-CD 3.42Å; E262-K265 IonicContact OE1-NZ 2.64Å; E262-K265 PolarHBondContact OE1-NZ 3.48Å; K265-I268 PolarHBondContact O-N 3.43Å; K265-R269 WeakPolarHBondContact O-CG 3.44Å; K265-R269 PolarHBondContact O-N 3.26Å
266	D	98.4	Very high	94.4	Very high	55 Å²	55	40.8 Å²	40.8	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-45.2	176.3	-174.4	56.8	0	0	0	111.7	E262 I268 R269 K270 H288	E262-D266 WeakPolarHBondContact O-CB 3.29Å; E262-D266 PolarHBondContact O-N 2.84Å; D266-I268 PolarHBondContact O-N 3.08Å; D266-R269 PolarHBondContact O-N 3.34Å; D266-K270 WeakPolarHBondContact O-CG 3.42Å; D266-K270 PolarHBondContact O-N 2.84Å; D266-K270 VanDerWaalsContact O-N 3.09Å; D266-K270 IonicContact OD1-NZ 3.08Å; D266-K270 WeakPolarHBondContact OD2-CE 3.48Å; D266-K270 IonicContact OD2-NZ 3.25Å; D266-K270 PolarHBondContact OD2-NZ 3.1Å; D266-H288 IonicContact OD2-CE1 2.74Å; D266-H288 IonicContact OD2-NE2 3.39Å; D266-H288 PolarHBondContact OD2-NE2 2.84Å
267	L	98.6	Very high	95.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-44.2	175.9	-176.2	53.1	0	0	0	111.9	M223 D263 P264 R269 K270 C271 I280 V285 H288 F290 F291	M223-L267 HydrophobicContact CE-CB 4.25Å; M223-L267 HydrophobicContact CE-CD2 4.02Å; M223-L267 HydrophobicContact CE-CG 4.42Å; M223-L267 HydrophobicContact SD-CB 4.45Å; M223-L267 HydrophobicContact SD-CD2 3.79Å; M223-L267 HydrophobicContact SD-CG 4.08Å; D263-L267 PolarHBondContact O-N 3.04Å; D263-L267 VanDerWaalsContact O-N 3.11Å; P264-L267 PolarHBondContact O-N 3.18Å; L267-R269 VanDerWaalsContact C-N 3.33Å; L267-R269 PolarHBondContact O-N 2.66Å; L267-K270 PolarHBondContact O-N 2.73Å; L267-K270 VanDerWaalsContact O-N 3.14Å; L267-C271 PolarHBondContact O-N 3.3Å; L267-C271 PolarHBondContact O-SG 2.7Å; L267-C271 VanDerWaalsContact O-SG 3.36Å; L267-I280 HydrophobicContact CD1-CD1 4.3Å; L267-V285 HydrophobicContact CD1-CB 4.47Å; L267-V285 HydrophobicContact CD1-CG1 4.1Å; L267-V285 HydrophobicContact CD1-CG2 4.18Å; L267-V285 HydrophobicContact CD2-CG1 4.38Å; L267-H288 HydrophobicContact CD1-CB 4.16Å; L267-F290 HydrophobicContact CD2-CB 4.17Å; L267-F290 HydrophobicContact CD2-CD1 3.79Å; L267-F290 HydrophobicContact CD2-CG 4.29Å; L267-F291 HydrophobicContact CD2-CE2 3.64Å; L267-F291 HydrophobicContact CD2-CZ 3.95Å
268	I	98.7	Very high	95.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-43	176	-71.7	167.1	0	0	0	111.3	M223 F224 L227 Y250 F252 W257 P264 K265 D266 K270 C271 L272	M223-I268 HydrophobicContact CB-CG1 4.3Å; M223-I268 HydrophobicContact CE-CG1 4.36Å; M223-I268 HydrophobicContact CG-CD1 4.15Å; M223-I268 HydrophobicContact CG-CG1 3.99Å; M223-I268 HydrophobicContact SD-CG1 4.09Å; F224-I268 HydrophobicContact CB-CD1 4.11Å; F224-I268 HydrophobicContact CD2-CD1 4.42Å; F224-I268 HydrophobicContact CD2-CG2 4.14Å; L227-I268 HydrophobicContact CD1-CD1 3.9Å; Y250-I268 HydrophobicContact CE2-CG2 4.13Å; F252-I268 HydrophobicContact CE1-CB 4.43Å; F252-I268 HydrophobicContact CE1-CD1 4.42Å; F252-I268 HydrophobicContact CE1-CG2 4.01Å; F252-I268 HydrophobicContact CZ-CB 4.18Å; F252-I268 HydrophobicContact CZ-CG2 3.88Å; W257-I268 HydrophobicContact CH2-CD1 3.55Å; W257-I268 HydrophobicContact CZ3-CD1 4.12Å; P264-I268 VanDerWaalsContact O-CG1 3.28Å; P264-I268 WeakPolarHBondContact O-CG1 3.07Å; P264-I268 PolarHBondContact O-N 3.38Å; K265-I268 PolarHBondContact O-N 3.43Å; D266-I268 PolarHBondContact O-N 3.08Å; I268-K270 PolarHBondContact O-N 3.01Å; I268-C271 PolarHBondContact O-N 3.5Å; I268-L272 HydrophobicContact CG2-CD1 3.68Å; I268-L272 HydrophobicContact CG2-CG 4.16Å; I268-L272 WeakPolarHBondContact O-CB 3.35Å; I268-L272 PolarHBondContact O-N 3.03Å
269	R	98.6	Very high	96.3	Very high	93 Å²	93	46.3 Å²	46.3	35%	0.351	24%	0.242	S	C	.	.	H	α-helix	trans	-58.3	-36.9	175.8	-69.3	174.9	-163.5	109.6	-0.7	112.6	Y250 F252 E262 K265 D266 L267 V273	Y250-R269 VanDerWaalsContact OH-CA 3.3Å; Y250-R269 WeakPolarHBondContact OH-CA 3.48Å; F252-R269 HydrophobicContact CE2-CG 3.76Å; F252-R269 HydrophobicContact CZ-CG 4.1Å; E262-R269 IonicContact OE2-CZ 3.13Å; E262-R269 IonicContact OE2-NH1 2.96Å; E262-R269 PolarHBondContact OE2-NH1 2.7Å; E262-R269 IonicContact OE2-NH2 2.92Å; E262-R269 PolarHBondContact OE2-NH2 3.35Å; K265-R269 WeakPolarHBondContact O-CG 3.44Å; K265-R269 PolarHBondContact O-N 3.26Å; D266-R269 PolarHBondContact O-N 3.34Å; L267-R269 VanDerWaalsContact C-N 3.33Å; L267-R269 PolarHBondContact O-N 2.66Å; R269-V273 VanDerWaalsContact O-CG2 3.27Å; R269-V273 WeakPolarHBondContact O-CG2 3.29Å
270	K	98.6	Very high	97.1	Very high	80 Å²	80	44.2 Å²	44.2	35%	0.348	23%	0.231	S	C	.	.	H	α-helix	trans	-76.5	-31.6	178.8	-71.2	172.9	-180	163.1	0	113.1	D266 L267 I268 V273 I280 H288	D266-K270 WeakPolarHBondContact O-CG 3.42Å; D266-K270 PolarHBondContact O-N 2.84Å; D266-K270 VanDerWaalsContact O-N 3.09Å; D266-K270 IonicContact OD1-NZ 3.08Å; D266-K270 WeakPolarHBondContact OD2-CE 3.48Å; D266-K270 IonicContact OD2-NZ 3.25Å; D266-K270 PolarHBondContact OD2-NZ 3.1Å; L267-K270 PolarHBondContact O-N 2.73Å; L267-K270 VanDerWaalsContact O-N 3.14Å; I268-K270 PolarHBondContact O-N 3.01Å; K270-V273 WeakPolarHBondContact O-CG2 3.46Å; K270-I280 HydrophobicContact CB-CB 4Å; K270-I280 HydrophobicContact CB-CD1 4.16Å; K270-I280 HydrophobicContact CB-CG2 3.93Å; K270-I280 HydrophobicContact CD-CD1 4.18Å; K270-I280 VanDerWaalsContact O-CG2 3.28Å; K270-I280 WeakPolarHBondContact O-CG2 3.24Å; K270-I280 PolarHBondContact O-N 3.42Å; K270-H288 PolarHBondContact NZ-NE2 3.36Å
271	C	98.7	Very high	97.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-76.1	-39.3	174.1	-64.7	0	0	0	0	112.7	I216 L267 I268 V273 R279	I216-C271 HydrophobicContact CG2-CB 4.23Å; L267-C271 PolarHBondContact O-N 3.3Å; L267-C271 PolarHBondContact O-SG 2.7Å; L267-C271 VanDerWaalsContact O-SG 3.36Å; I268-C271 PolarHBondContact O-N 3.5Å; C271-V273 VanDerWaalsContact C-N 3.26Å; C271-V273 PolarHBondContact O-N 2.88Å; C271-R279 WeakPolarHBondContact O-CD 3.41Å; C271-R279 VanDerWaalsContact O-CG 3.31Å; C271-R279 WeakPolarHBondContact O-CG 3.43Å; C271-R279 PolarHBondContact O-NE 2.8Å
272	L	98.6	Very high	97.6	Very high	6 Å²	6	45 Å²	45	3%	0.031	23%	0.234	C	C	.	.	S	Bend	trans	-91.6	42.1	-176.4	-59.3	-176	0	0	0	112.7	W217 V221 P232 F233 Y250 I268	W217-L272 HydrophobicContact CD2-CD2 3.84Å; W217-L272 HydrophobicContact CE3-CB 4.41Å; W217-L272 HydrophobicContact CE3-CD2 4.04Å; W217-L272 HydrophobicContact CG-CD2 4.26Å; W217-L272 HydrophobicContact CZ2-CD2 4.41Å; W217-L272 VanDerWaalsContact CZ3-C 3.48Å; W217-L272 HydrophobicContact CZ3-CB 4.17Å; W217-L272 HydrophobicContact CZ3-CD2 4.41Å; W217-L272 WeakPolarHBondContact O-CD2 3.46Å; V221-L272 HydrophobicContact CG2-CD2 3.92Å; P232-L272 HydrophobicContact CB-CD1 4.32Å; P232-L272 HydrophobicContact CG-CD1 4.26Å; F233-L272 HydrophobicContact CE2-CD1 4.27Å; F233-L272 HydrophobicContact CE2-CD2 4.34Å; F233-L272 HydrophobicContact CZ-CD1 4.28Å; Y250-L272 HydrophobicContact CD1-CB 4.46Å; Y250-L272 HydrophobicContact CD1-CD1 4.12Å; Y250-L272 HydrophobicContact CD2-CD1 4.37Å; Y250-L272 HydrophobicContact CE1-CB 3.68Å; Y250-L272 HydrophobicContact CE1-CD1 3.93Å; Y250-L272 HydrophobicContact CE1-CG 4.47Å; Y250-L272 HydrophobicContact CE2-CD1 4.19Å; Y250-L272 HydrophobicContact CG-CD1 4.35Å; I268-L272 HydrophobicContact CG2-CD1 3.68Å; I268-L272 HydrophobicContact CG2-CG 4.16Å; I268-L272 WeakPolarHBondContact O-CB 3.35Å; I268-L272 PolarHBondContact O-N 3.03Å
273	V	98.4	Very high	97.7	Very high	40 Å²	40	45.8 Å²	45.8	24%	0.242	24%	0.236	C	C	.	.			trans	-86.2	128.1	173.3	179.3	0	0	0	0	109.5	R269 K270 C271 D275 Q278 R279	R269-V273 VanDerWaalsContact O-CG2 3.27Å; R269-V273 WeakPolarHBondContact O-CG2 3.29Å; K270-V273 WeakPolarHBondContact O-CG2 3.46Å; C271-V273 VanDerWaalsContact C-N 3.26Å; C271-V273 PolarHBondContact O-N 2.88Å; V273-D275 WeakPolarHBondContact CG1-O 3.37Å; V273-Q278 HydrophobicContact CG1-CB 3.88Å; V273-R279 HydrophobicContact CB-CB 4.24Å; V273-R279 HydrophobicContact CB-CG 4.43Å; V273-R279 PolarHBondContact O-NE 3.27Å; V273-R279 PolarHBondContact O-NH2 3.34Å
274	V	97.6	Very high	97.8	Very high	41 Å²	41	47.8 Å²	47.8	25%	0.248	24%	0.244	C	C	.	.	S	Bend	trans	-66.6	-39.7	-175.7	173.3	0	0	0	0	112.5	P196 P276	P196-V274 HydrophobicContact CB-CG1 4.03Å; P196-V274 HydrophobicContact CG-CB 4.48Å; P196-V274 HydrophobicContact CG-CG1 4.24Å; P196-V274 HydrophobicContact CG-CG2 4.35Å; V274-P276 VanDerWaalsContact O-CD 3.31Å; V274-P276 WeakPolarHBondContact O-CD 3.32Å
275	D	96.8	Very high	97.8	Very high	77 Å²	77	47.8 Å²	47.8	41%	0.412	24%	0.244	S	C	.	.	S	Bend	trans	-78.3	113	173.3	-176.9	-12.9	0	0	0	109.4	V273 S277 Q278 R279	V273-D275 WeakPolarHBondContact CG1-O 3.37Å; D275-S277 PolarHBondContact O-N 3.19Å; D275-S277 WeakPolarHBondContact OD1-CB 3.36Å; D275-S277 PolarHBondContact OD1-N 3.45Å; D275-S277 PolarHBondContact OD1-OG 2.78Å; D275-S277 PolarHBondContact OD2-OG 3.43Å; D275-Q278 HydrophobicContact CB-CB 4.3Å; D275-Q278 HydrophobicContact CB-CG 4.18Å; D275-Q278 PolarHBondContact O-N 3.33Å; D275-Q278 VanDerWaalsContact O-N 3.12Å; D275-R279 PolarHBondContact O-N 3.27Å
276	P	96.6	Very high	97.7	Very high	39 Å²	39	48.3 Å²	48.3	25%	0.253	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-61.3	-27.2	-179	25	-33.8	0	0	0	112.9	E197 E213 V274 Q278 R279	E197-P276 HydrophobicContact CB-CG 4.47Å; E197-P276 HydrophobicContact CG-CG 4.4Å; E213-P276 HydrophobicContact CB-CB 3.89Å; E213-P276 HydrophobicContact CG-CB 4.1Å; V274-P276 VanDerWaalsContact O-CD 3.31Å; V274-P276 WeakPolarHBondContact O-CD 3.32Å; P276-Q278 VanDerWaalsContact C-N 3.28Å; P276-Q278 PolarHBondContact O-N 3.29Å; P276-R279 WeakPolarHBondContact O-CB 3.34Å; P276-R279 PolarHBondContact O-N 2.98Å
277	S	95.4	Very high	97.6	Very high	85 Å²	85	54 Å²	54	59%	0.594	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-70.9	-24	178.8	74.1	0	0	0	0	113.6	D275	D275-S277 PolarHBondContact O-N 3.19Å; D275-S277 WeakPolarHBondContact OD1-CB 3.36Å; D275-S277 PolarHBondContact OD1-N 3.45Å; D275-S277 PolarHBondContact OD1-OG 2.78Å; D275-S277 PolarHBondContact OD2-OG 3.43Å
278	Q	97.4	Very high	97.5	Very high	136 Å²	136	54.4 Å²	54.4	64%	0.636	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-98.7	-5.3	177.4	-58.8	-55.2	-63	0	0	112.1	V273 D275 P276	V273-Q278 HydrophobicContact CG1-CB 3.88Å; D275-Q278 HydrophobicContact CB-CB 4.3Å; D275-Q278 HydrophobicContact CB-CG 4.18Å; D275-Q278 PolarHBondContact O-N 3.33Å; D275-Q278 VanDerWaalsContact O-N 3.12Å; P276-Q278 VanDerWaalsContact C-N 3.28Å; P276-Q278 PolarHBondContact O-N 3.29Å
279	R	98.4	Very high	97.4	Very high	10 Å²	10	57.6 Å²	57.6	4%	0.038	29%	0.288	C	S	.	.	S	Bend	trans	-72.6	137.2	178.8	-166.3	178.4	-60.9	146.1	7.9	109.4	E197 E213 I216 C271 V273 D275 P276 T281	E197-R279 IonicContact OE1-CZ 3.49Å; E197-R279 IonicContact OE1-NH1 2.66Å; E197-R279 PolarHBondContact OE1-NH1 2.96Å; E197-R279 IonicContact OE1-NH2 2.7Å; E197-R279 PolarHBondContact OE1-NH2 3.36Å; E197-R279 IonicContact OE2-CZ 2.66Å; E197-R279 IonicContact OE2-NH1 3.71Å; E197-R279 IonicContact OE2-NH2 3.71Å; E197-R279 PolarHBondContact OE2-NH2 3.42Å; E213-R279 PolarHBondContact O-NH1 3.39Å; I216-R279 HydrophobicContact CG2-CG 4.26Å; C271-R279 WeakPolarHBondContact O-CD 3.41Å; C271-R279 VanDerWaalsContact O-CG 3.31Å; C271-R279 WeakPolarHBondContact O-CG 3.43Å; C271-R279 PolarHBondContact O-NE 2.8Å; V273-R279 HydrophobicContact CB-CB 4.24Å; V273-R279 HydrophobicContact CB-CG 4.43Å; V273-R279 PolarHBondContact O-NE 3.27Å; V273-R279 PolarHBondContact O-NH2 3.34Å; D275-R279 PolarHBondContact O-N 3.27Å; P276-R279 WeakPolarHBondContact O-CB 3.34Å; P276-R279 PolarHBondContact O-N 2.98Å; R279-T281 PolarHBondContact O-N 3.06Å
280	I	98.4	Very high	97.2	Very high	21 Å²	21	53.2 Å²	53.2	11%	0.108	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-57	139.7	179.4	-167.6	172.4	0	0	0	111.2	I216 L267 K270 E284 V285	I216-I280 HydrophobicContact CG2-CG2 4.1Å; I216-I280 WeakPolarHBondContact CG2-O 3.1Å; L267-I280 HydrophobicContact CD1-CD1 4.3Å; K270-I280 HydrophobicContact CB-CB 4Å; K270-I280 HydrophobicContact CB-CD1 4.16Å; K270-I280 HydrophobicContact CB-CG2 3.93Å; K270-I280 HydrophobicContact CD-CD1 4.18Å; K270-I280 VanDerWaalsContact O-CG2 3.28Å; K270-I280 WeakPolarHBondContact O-CG2 3.24Å; K270-I280 PolarHBondContact O-N 3.42Å; I280-E284 HydrophobicContact CD1-CB 3.91Å; I280-E284 HydrophobicContact CG1-CB 3.48Å; I280-E284 VanDerWaalsContact CG1-CB 3.48Å; I280-V285 HydrophobicContact CB-CG2 4.32Å; I280-V285 HydrophobicContact CD1-CG2 3.85Å; I280-V285 HydrophobicContact CG1-CG2 3.91Å; I280-V285 HydrophobicContact CG2-CG2 3.52Å
281	T	97.8	Very high	97	Very high	69 Å²	69	49.8 Å²	49.8	42%	0.423	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-82	155.9	174.9	65.6	0	0	0	0	111.2	R279 K283 E284 V285	R279-T281 PolarHBondContact O-N 3.06Å; T281-K283 PolarHBondContact O-N 3.19Å; T281-E284 WeakPolarHBondContact CB-OE2 3.41Å; T281-E284 PolarHBondContact N-OE2 2.74Å; T281-E284 WeakPolarHBondContact O-CB 3.38Å; T281-E284 PolarHBondContact O-N 3.16Å; T281-E284 VanDerWaalsContact OG1-CG 3.27Å; T281-E284 WeakPolarHBondContact OG1-CG 3.45Å; T281-E284 PolarHBondContact OG1-N 2.78Å; T281-E284 PolarHBondContact OG1-OE2 2.82Å; T281-V285 WeakPolarHBondContact O-CG2 3.48Å; T281-V285 PolarHBondContact O-N 3.4Å
282	V	97.6	Very high	96.1	Very high	12 Å²	12	53.7 Å²	53.7	7%	0.073	28%	0.277	C	S	.	.	H	α-helix	trans	-55.7	-36.2	178	67.5	0	0	0	0	113.3	F138 V141 E142 I216 E284 V285 L286	F138-V282 HydrophobicContact CB-CG2 4.24Å; F138-V282 HydrophobicContact CD1-CG2 4.13Å; F138-V282 WeakPolarHBondContact O-CG2 3.32Å; V141-V282 HydrophobicContact CB-CG2 4.42Å; V141-V282 HydrophobicContact CG1-CG2 4.25Å; E142-V282 HydrophobicContact CB-CB 4.49Å; E142-V282 HydrophobicContact CB-CG1 3.94Å; E142-V282 HydrophobicContact CB-CG2 3.74Å; E142-V282 HydrophobicContact CG-CG1 4.07Å; I216-V282 HydrophobicContact CD1-CB 3.8Å; I216-V282 HydrophobicContact CD1-CG2 4.41Å; V282-E284 VanDerWaalsContact C-N 3.32Å; V282-E284 PolarHBondContact O-N 3.4Å; V282-V285 WeakPolarHBondContact O-CB 3.48Å; V282-V285 PolarHBondContact O-N 2.66Å; V282-L286 PolarHBondContact O-N 3.07Å; V282-L286 VanDerWaalsContact O-N 3.08Å
283	K	96.1	Very high	94.5	Very high	123 Å²	123	57.8 Å²	57.8	54%	0.535	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-37.4	176.7	-71.4	178.5	179.9	175.7	0	112.3	E142 T281 R287	E142-K283 WeakPolarHBondContact OE1-CG 3.32Å; T281-K283 PolarHBondContact O-N 3.19Å; K283-R287 WeakPolarHBondContact O-CG 3.45Å; K283-R287 PolarHBondContact O-NE 3.34Å
284	E	97.4	Very high	92.4	Very high	95 Å²	95	58 Å²	58	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-76.6	-37.3	177.1	-69	164.1	145.3	0	0	111.2	I280 T281 V282 L286 R287 H288	I280-E284 HydrophobicContact CD1-CB 3.91Å; I280-E284 HydrophobicContact CG1-CB 3.48Å; I280-E284 VanDerWaalsContact CG1-CB 3.48Å; T281-E284 WeakPolarHBondContact CB-OE2 3.41Å; T281-E284 PolarHBondContact N-OE2 2.74Å; T281-E284 WeakPolarHBondContact O-CB 3.38Å; T281-E284 PolarHBondContact O-N 3.16Å; T281-E284 VanDerWaalsContact OG1-CG 3.27Å; T281-E284 WeakPolarHBondContact OG1-CG 3.45Å; T281-E284 PolarHBondContact OG1-N 2.78Å; T281-E284 PolarHBondContact OG1-OE2 2.82Å; V282-E284 VanDerWaalsContact C-N 3.32Å; V282-E284 PolarHBondContact O-N 3.4Å; E284-L286 VanDerWaalsContact C-N 3.34Å; E284-L286 PolarHBondContact O-N 2.83Å; E284-R287 PolarHBondContact O-N 3.27Å; E284-R287 VanDerWaalsContact O-N 3.13Å; E284-H288 PolarHBondContact O-N 3.48Å
285	V	97.7	Very high	90.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-54.5	-49.8	173.5	169.3	0	0	0	0	110.9	F138 L267 I280 T281 V282 R287 H288 F291	F138-V285 HydrophobicContact CB-CG1 4.28Å; F138-V285 HydrophobicContact CD1-CB 4.34Å; F138-V285 HydrophobicContact CD1-CG1 3.69Å; F138-V285 HydrophobicContact CD2-CG1 3.38Å; F138-V285 HydrophobicContact CE1-CB 4.39Å; F138-V285 HydrophobicContact CE1-CG1 3.73Å; F138-V285 HydrophobicContact CE1-CG2 4.19Å; F138-V285 HydrophobicContact CE2-CG1 3.45Å; F138-V285 VanDerWaalsContact CE2-CG1 3.45Å; F138-V285 HydrophobicContact CG-CG1 3.52Å; F138-V285 HydrophobicContact CZ-CG1 3.62Å; F138-V285 HydrophobicContact CZ-CG2 4.44Å; L267-V285 HydrophobicContact CD1-CB 4.47Å; L267-V285 HydrophobicContact CD1-CG1 4.1Å; L267-V285 HydrophobicContact CD1-CG2 4.18Å; L267-V285 HydrophobicContact CD2-CG1 4.38Å; I280-V285 HydrophobicContact CB-CG2 4.32Å; I280-V285 HydrophobicContact CD1-CG2 3.85Å; I280-V285 HydrophobicContact CG1-CG2 3.91Å; I280-V285 HydrophobicContact CG2-CG2 3.52Å; T281-V285 WeakPolarHBondContact O-CG2 3.48Å; T281-V285 PolarHBondContact O-N 3.4Å; V282-V285 WeakPolarHBondContact O-CB 3.48Å; V282-V285 PolarHBondContact O-N 2.66Å; V285-R287 PolarHBondContact O-N 2.93Å; V285-R287 VanDerWaalsContact O-N 3.17Å; V285-H288 WeakPolarHBondContact O-CB 3.42Å; V285-H288 PolarHBondContact O-N 3.15Å; V285-F291 HydrophobicContact CG1-CE2 3.73Å; V285-F291 HydrophobicContact CG1-CZ 4.45Å; V285-F291 WeakPolarHBondContact O-CD2 3.49Å; V285-F291 WeakPolarHBondContact O-CE2 3.17Å
286	L	96.5	Very high	87.6	Confident	33 Å²	33	65.8 Å²	65.8	17%	0.173	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.3	-178.2	-70.5	172.1	0	0	0	113.6	R135 F138 E139 E142 V282 E284	R135-L286 HydrophobicContact CG-CD2 4.22Å; F138-L286 HydrophobicContact CB-CD2 3.69Å; F138-L286 HydrophobicContact CB-CG 4.17Å; E139-L286 HydrophobicContact CG-CD1 4.19Å; E139-L286 HydrophobicContact CG-CD2 3.89Å; E142-L286 HydrophobicContact CB-CD1 4.25Å; E142-L286 WeakPolarHBondContact OE2-CD1 3.45Å; V282-L286 PolarHBondContact O-N 3.07Å; V282-L286 VanDerWaalsContact O-N 3.08Å; E284-L286 VanDerWaalsContact C-N 3.34Å; E284-L286 PolarHBondContact O-N 2.83Å
287	R	96	Very high	85.3	Confident	175 Å²	175	69.5 Å²	69.5	66%	0.66	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.6	174.4	-62.2	173.8	-157.6	173	4.8	113.3	K283 E284 V285 N292	K283-R287 WeakPolarHBondContact O-CG 3.45Å; K283-R287 PolarHBondContact O-NE 3.34Å; E284-R287 PolarHBondContact O-N 3.27Å; E284-R287 VanDerWaalsContact O-N 3.13Å; V285-R287 PolarHBondContact O-N 2.93Å; V285-R287 VanDerWaalsContact O-N 3.17Å; R287-N292 PolarHBondContact O-ND2 3.17Å; R287-N292 VanDerWaalsContact O-ND2 3.13Å
288	H	97.4	Very high	83.1	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.037	34%	0.342	C	S	.	.	S	Bend	trans	-60.9	142.4	-175.3	-164.5	-95.7	0	0	0	111.9	D263 D266 L267 K270 E284 V285 F290 F291	D263-H288 PolarHBondContact O-CE1 3.14Å; D266-H288 IonicContact OD2-CE1 2.74Å; D266-H288 IonicContact OD2-NE2 3.39Å; D266-H288 PolarHBondContact OD2-NE2 2.84Å; L267-H288 HydrophobicContact CD1-CB 4.16Å; K270-H288 PolarHBondContact NZ-NE2 3.36Å; E284-H288 PolarHBondContact O-N 3.48Å; V285-H288 WeakPolarHBondContact O-CB 3.42Å; V285-H288 PolarHBondContact O-N 3.15Å; H288-F290 WeakPolarHBondContact ND1-CB 3.35Å; H288-F290 PolarHBondContact ND1-N 3.41Å; H288-F290 PolarHBondContact O-N 2.86Å; H288-F291 HydrophobicContact CB-CD2 4.4Å; H288-F291 PolarHBondContact O-N 3.27Å
289	P	95.1	Very high	80.9	Confident	67 Å²	67	71.1 Å²	71.1	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-50	-30.6	178.1	-30.8	36.4	0	0	0	114.8	F291 N292	P289-F291 PolarHBondContact O-N 3.34Å; P289-N292 PolarHBondContact O-N 3.29Å; P289-N292 VanDerWaalsContact O-N 3.09Å
290	F	95.4	Very high	78.8	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-52.4	-36.5	175	-178.2	-114.6	0	0	0	112.9	R131 M223 D263 P264 L267 H288	R131-F290 HydrophobicContact CB-CE1 3.85Å; R131-F290 HydrophobicContact CB-CE2 4.3Å; R131-F290 HydrophobicContact CB-CZ 3.65Å; R131-F290 WeakPolarHBondContact CD-O 3.22Å; R131-F290 HydrophobicContact CG-CD1 4.43Å; R131-F290 HydrophobicContact CG-CE1 4.1Å; R131-F290 HydrophobicContact CG-CZ 4.26Å; R131-F290 PolarHBondContact NE-O 2.84Å; M223-F290 HydrophobicContact CE-CD1 3.8Å; M223-F290 HydrophobicContact CE-CD2 4.42Å; M223-F290 HydrophobicContact CE-CE1 3.5Å; M223-F290 VanDerWaalsContact CE-CE1 3.5Å; M223-F290 HydrophobicContact CE-CE2 4.18Å; M223-F290 HydrophobicContact CE-CG 4.25Å; M223-F290 HydrophobicContact CE-CZ 3.71Å; M223-F290 HydrophobicContact SD-CE1 4.39Å; D263-F290 HydrophobicContact CB-CB 4.25Å; D263-F290 HydrophobicContact CB-CD2 4.27Å; P264-F290 HydrophobicContact CB-CD2 3.92Å; P264-F290 HydrophobicContact CB-CE2 3.7Å; P264-F290 HydrophobicContact CB-CZ 4.32Å; P264-F290 HydrophobicContact CG-CD2 4.35Å; P264-F290 HydrophobicContact CG-CE2 4.17Å; L267-F290 HydrophobicContact CD2-CB 4.17Å; L267-F290 HydrophobicContact CD2-CD1 3.79Å; L267-F290 HydrophobicContact CD2-CG 4.29Å; H288-F290 WeakPolarHBondContact ND1-CB 3.35Å; H288-F290 PolarHBondContact ND1-N 3.41Å; H288-F290 PolarHBondContact O-N 2.86Å
291	F	94.3	Very high	76.8	Confident	9 Å²	9	77 Å²	77	4%	0.039	37%	0.374	C	S	.	.	H	α-helix	trans	-91.2	-18	179.4	-61.2	-64.3	0	0	0	114	R131 M134 R135 F138 L267 V285 H288 P289 Q293	R131-F291 HydrophobicContact CG-CD1 3.79Å; R131-F291 HydrophobicContact CG-CE1 4.3Å; R131-F291 WeakPolarHBondContact O-CE1 3.4Å; M134-F291 HydrophobicContact CB-CE1 4.09Å; M134-F291 HydrophobicContact CB-CZ 4.1Å; R135-F291 HydrophobicContact CB-CD1 3.68Å; R135-F291 HydrophobicContact CB-CE1 3.7Å; R135-F291 HydrophobicContact CG-CD1 4.22Å; F138-F291 HydrophobicContact CD2-CE2 4.19Å; F138-F291 AromaticContact CD2-CZ 3.77Å; F138-F291 HydrophobicContact CD2-CZ 3.77Å; F138-F291 HydrophobicContact CE2-CZ 4.13Å; L267-F291 HydrophobicContact CD2-CE2 3.64Å; L267-F291 HydrophobicContact CD2-CZ 3.95Å; V285-F291 HydrophobicContact CG1-CE2 3.73Å; V285-F291 HydrophobicContact CG1-CZ 4.45Å; V285-F291 WeakPolarHBondContact O-CD2 3.49Å; V285-F291 WeakPolarHBondContact O-CE2 3.17Å; H288-F291 HydrophobicContact CB-CD2 4.4Å; H288-F291 PolarHBondContact O-N 3.27Å; P289-F291 PolarHBondContact O-N 3.34Å; F291-Q293 VanDerWaalsContact C-N 3.28Å; F291-Q293 PolarHBondContact O-N 3.31Å
292	N	80.1	Confident	74.9	Confident	82 Å²	82	75.8 Å²	75.8	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-73.6	-12.4	-174.5	-66.2	-24.7	0	0	0	114.4	R287 P289 M294 L295	R287-N292 PolarHBondContact O-ND2 3.17Å; R287-N292 VanDerWaalsContact O-ND2 3.13Å; P289-N292 PolarHBondContact O-N 3.29Å; P289-N292 VanDerWaalsContact O-N 3.09Å; N292-M294 PolarHBondContact O-N 2.67Å; N292-M294 VanDerWaalsContact O-N 3.11Å; N292-L295 PolarHBondContact O-N 3.12Å
293	Q	64.5	Low	72.9	Confident	92 Å²	92	80.2 Å²	80.2	43%	0.43	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.1	-179.6	-74.8	-175.1	3.1	0	0	114.5	R131 F291 L295	R131-Q293 VanDerWaalsContact CZ-OE1 3.29Å; F291-Q293 VanDerWaalsContact C-N 3.28Å; F291-Q293 PolarHBondContact O-N 3.31Å; Q293-L295 PolarHBondContact O-N 3.27Å
294	M	53.3	Low	70.9	Confident	45 Å²	45	80.5 Å²	80.5	22%	0.222	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-22.6	177.2	-71.9	-138.8	-170.2	0	0	114.2	R135 N292 F296 E297 Q298	R135-M294 VanDerWaalsContact CZ-CE 3.43Å; R135-M294 PolarHBondContact NH2-SD 2.86Å; N292-M294 PolarHBondContact O-N 2.67Å; N292-M294 VanDerWaalsContact O-N 3.11Å; M294-F296 PolarHBondContact O-N 3.36Å; M294-E297 PolarHBondContact O-N 3.38Å; M294-Q298 PolarHBondContact O-N 3.19Å
295	L	50.1	Low	68.9	Low	107 Å²	107	85.1 Å²	85.1	56%	0.56	41%	0.413	S	S	*	.	H	α-helix	trans	-66.3	-22.9	-175.4	-70.4	166.8	0	0	0	113.8	N292 Q293 N299	N292-L295 PolarHBondContact O-N 3.12Å; Q293-L295 PolarHBondContact O-N 3.27Å; L295-N299 WeakPolarHBondContact O-CB 3.26Å; L295-N299 PolarHBondContact O-ND2 2.92Å
296	F	44.7	Very low	67	Low	174 Å²	174	89.8 Å²	89.8	76%	0.763	45%	0.446	S	S	*	.	H	α-helix	trans	-81.3	-30.1	179	-86.5	-81.9	0	0	0	113.6	M294 I300	M294-F296 PolarHBondContact O-N 3.36Å; F296-I300 WeakPolarHBondContact O-CG1 3.03Å
297	E	47.9	Very low	64.9	Low	116 Å²	116	93.8 Å²	93.8	54%	0.542	47%	0.466	S	S	.	.	H	α-helix	trans	-80.3	-38.8	-178.6	-71.7	-174.7	170.6	0	0	111.7	K128 M294 I300	K128-E297 IonicContact NZ-OE1 3.67Å; K128-E297 PolarHBondContact NZ-OE1 2.89Å; K128-E297 IonicContact NZ-OE2 3.6Å; K128-E297 PolarHBondContact NZ-OE2 2.8Å; M294-E297 PolarHBondContact O-N 3.38Å; E297-I300 PolarHBondContact O-N 2.9Å
298	Q	49.4	Very low	62.7	Low	134 Å²	134	88.4 Å²	88.4	63%	0.626	46%	0.456	S	S	*	.	H	α-helix	trans	-70.7	-31	178.8	-68.3	-178	-13.1	0	0	113.3	M294 I300 D301	M294-Q298 PolarHBondContact O-N 3.19Å; Q298-I300 VanDerWaalsContact C-N 3.26Å; Q298-I300 PolarHBondContact O-N 2.89Å; Q298-D301 PolarHBondContact O-N 2.97Å
299	N	50.4	Low	60.6	Low	122 Å²	122	94 Å²	94	65%	0.652	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.1	177.8	-91.8	-51.7	0	0	0	114.3	L295	L295-N299 WeakPolarHBondContact O-CB 3.26Å; L295-N299 PolarHBondContact O-ND2 2.92Å
300	I	54	Low	58.4	Low	78 Å²	78	99.7 Å²	99.7	40%	0.4	51%	0.508	S	S	.	.	H	α-helix	trans	-81.2	-19.1	179.2	-68.6	176.4	0	0	0	111.7	F296 E297 Q298 L303 K304	F296-I300 WeakPolarHBondContact O-CG1 3.03Å; E297-I300 PolarHBondContact O-N 2.9Å; Q298-I300 VanDerWaalsContact C-N 3.26Å; Q298-I300 PolarHBondContact O-N 2.89Å; I300-L303 CarbonylContact O-C 3.51Å; I300-L303 PolarHBondContact O-N 3.23Å; I300-K304 HydrophobicContact CG2-CD 3.94Å; I300-K304 HydrophobicContact CG2-CG 3.9Å; I300-K304 WeakPolarHBondContact O-CB 3.46Å; I300-K304 WeakPolarHBondContact O-CG 3.34Å; I300-K304 PolarHBondContact O-N 3.25Å
301	D	57.4	Low	56	Low	76 Å²	76	104.9 Å²	104.9	41%	0.406	55%	0.545	S	S	.	.	H	α-helix	trans	-73.3	-28.9	-179.5	-70.9	-23.3	0	0	0	113.2	Q298 K304 R305	Q298-D301 PolarHBondContact O-N 2.97Å; D301-K304 IonicContact OD1-NZ 3.34Å; D301-R305 WeakPolarHBondContact O-CB 3.25Å; D301-R305 VanDerWaalsContact O-CG 3.32Å; D301-R305 WeakPolarHBondContact O-CG 3.37Å; D301-R305 PolarHBondContact O-N 3.35Å; D301-R305 PolarHBondContact O-NE 2.97Å; D301-R305 VanDerWaalsContact O-NE 3.16Å
302	G	57.8	Low	54	Low	43 Å²	43	116.2 Å²	116.2	44%	0.443	59%	0.587	S	S	.	*	H	α-helix	trans	-65.2	-42.4	167.3	0	0	0	0	0	111.6	R305 S306	G302-R305 PolarHBondContact O-N 2.92Å; G302-S306 WeakPolarHBondContact O-CB 3.36Å; G302-S306 PolarHBondContact O-N 3.4Å
303	L	54.8	Low	52.6	Low	105 Å²	105	123.5 Å²	123.5	55%	0.55	61%	0.608	S	S	.	*	H	α-helix	trans	-69.6	-40	179.2	-164.6	67.2	0	0	0	112.3	I300 S306 L307	I300-L303 CarbonylContact O-C 3.51Å; I300-L303 PolarHBondContact O-N 3.23Å; L303-S306 PolarHBondContact O-N 2.85Å; L303-L307 HydrophobicContact CG-CD1 4.02Å; L303-L307 WeakPolarHBondContact O-CB 3.33Å; L303-L307 WeakPolarHBondContact O-CD1 3.48Å; L303-L307 VanDerWaalsContact O-CG 3.24Å; L303-L307 WeakPolarHBondContact O-CG 3.41Å; L303-L307 PolarHBondContact O-N 2.99Å
304	K	54.4	Low	51.7	Low	130 Å²	130	127.1 Å²	127.1	57%	0.565	63%	0.628	S	S	*	*	H	α-helix	trans	-64.5	-39.6	173.8	-76.7	171.8	179	166.5	0	112	I300 D301 L307 S308	I300-K304 HydrophobicContact CG2-CD 3.94Å; I300-K304 HydrophobicContact CG2-CG 3.9Å; I300-K304 WeakPolarHBondContact O-CB 3.46Å; I300-K304 WeakPolarHBondContact O-CG 3.34Å; I300-K304 PolarHBondContact O-N 3.25Å; D301-K304 IonicContact OD1-NZ 3.34Å; K304-L307 PolarHBondContact O-N 2.89Å; K304-S308 PolarHBondContact O-N 3.3Å
305	R	56.7	Low	52	Low	191 Å²	191	127.7 Å²	127.7	72%	0.721	64%	0.636	S	S	*	*	H	α-helix	trans	-66.1	-42.1	174.4	-81.2	-177.5	-81.3	-168	-4	111.9	D301 G302 L307 S308	D301-R305 WeakPolarHBondContact O-CB 3.25Å; D301-R305 VanDerWaalsContact O-CG 3.32Å; D301-R305 WeakPolarHBondContact O-CG 3.37Å; D301-R305 PolarHBondContact O-N 3.35Å; D301-R305 PolarHBondContact O-NE 2.97Å; D301-R305 VanDerWaalsContact O-NE 3.16Å; G302-R305 PolarHBondContact O-N 2.92Å; R305-L307 VanDerWaalsContact C-N 3.3Å; R305-L307 PolarHBondContact O-N 3.17Å; R305-S308 WeakPolarHBondContact O-CB 3.06Å; R305-S308 PolarHBondContact O-N 3.5Å
306	S	56	Low	52.2	Low	99 Å²	99	132.5 Å²	132.5	69%	0.692	65%	0.646	S	S	*	*	H	α-helix	trans	-66.4	-28.4	176.1	178.6	0	0	0	0	113.7	G302 L303	G302-S306 WeakPolarHBondContact O-CB 3.36Å; G302-S306 PolarHBondContact O-N 3.4Å; L303-S306 PolarHBondContact O-N 2.85Å
307	L	53.8	Low	52.8	Low	117 Å²	117	130.4 Å²	130.4	61%	0.613	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-0.8	-179.9	-68.6	168.7	0	0	0	113.3	L303 K304 R305 T309	L303-L307 HydrophobicContact CG-CD1 4.02Å; L303-L307 WeakPolarHBondContact O-CB 3.33Å; L303-L307 WeakPolarHBondContact O-CD1 3.48Å; L303-L307 VanDerWaalsContact O-CG 3.24Å; L303-L307 WeakPolarHBondContact O-CG 3.41Å; L303-L307 PolarHBondContact O-N 2.99Å; K304-L307 PolarHBondContact O-N 2.89Å; R305-L307 VanDerWaalsContact C-N 3.3Å; R305-L307 PolarHBondContact O-N 3.17Å; L307-T309 PolarHBondContact O-N 3.29Å
308	S	48.7	Very low	53.3	Low	62 Å²	62	128.2 Å²	128.2	43%	0.434	64%	0.637	S	S	.	*			trans	-66.7	118.6	176	178.3	0	0	0	0	110.9	K304 R305 K310	K304-S308 PolarHBondContact O-N 3.3Å; R305-S308 WeakPolarHBondContact O-CB 3.06Å; R305-S308 PolarHBondContact O-N 3.5Å; S308-K310 PolarHBondContact O-N 3.24Å
309	T	53.8	Low	53.6	Low	124 Å²	124	128.4 Å²	128.4	76%	0.761	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	7.6	-178.9	35.6	0	0	0	0	115.3	L307	L307-T309 PolarHBondContact O-N 3.29Å
310	K	48.4	Very low	53.9	Low	188 Å²	188	127.9 Å²	127.9	82%	0.817	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-0.7	-178.7	-72.9	-174	176.6	-178.2	0	114.8	S308 R312	S308-K310 PolarHBondContact O-N 3.24Å; K310-R312 PolarHBondContact O-N 3.19Å
311	S	44.9	Very low	54.1	Low	109 Å²	109	127.4 Å²	127.4	76%	0.762	64%	0.641	S	S	*	*			trans	-80	88.8	174.6	-165.7	0	0	0	0	111.4	R313	S311-R313 PolarHBondContact O-N 3.06Å
312	R	52.4	Low	54	Low	246 Å²	246	130.6 Å²	130.6	93%	0.928	66%	0.657	S	S	*	*			trans	-75.9	91.7	168.3	-81.5	179.9	167.8	176.1	-3.9	109.6	K310	K310-R312 PolarHBondContact O-N 3.19Å
313	R	51.7	Low	53.8	Low	235 Å²	235	135.8 Å²	135.8	89%	0.887	67%	0.674	S	S	*	*			trans	-136.9	91.5	151.4	-119	178.3	176.2	171.3	-1	107.9	S311 S315	S311-R313 PolarHBondContact O-N 3.06Å; R313-S315 PolarHBondContact O-N 2.91Å
314	M	45.1	Very low	53.6	Low	169 Å²	169	141.1 Å²	141.1	83%	0.833	69%	0.687	S	S	*	*			trans	-69.8	110.1	173.9	-152.6	-177.5	-52.9	0	0	106.7	T318	M314-T318 HydrophobicContact CG-CG2 4Å
315	S	59.9	Low	53.7	Low	56 Å²	56	144.2 Å²	144.2	39%	0.392	70%	0.7	S	S	.	*			trans	-83.8	158.2	179	87.4	0	0	0	0	110.3	R313 I317 T318	R313-S315 PolarHBondContact O-N 2.91Å; S315-I317 PolarHBondContact O-N 3.01Å; S315-I317 VanDerWaalsContact OG-CB 3.29Å; S315-I317 WeakPolarHBondContact OG-CB 3.39Å; S315-I317 WeakPolarHBondContact OG-CG1 3.38Å; S315-I317 PolarHBondContact OG-N 3.43Å; S315-T318 WeakPolarHBondContact O-CB 3.24Å; S315-T318 PolarHBondContact O-N 2.8Å; S315-T318 PolarHBondContact O-OG1 3.3Å
316	R	53.6	Low	53.5	Low	208 Å²	208	144 Å²	144	79%	0.785	71%	0.708	S	S	*	*	H	α-helix	trans	-48.6	-20	172.1	-79.7	176.8	172.3	172.6	-3.1	113.6	E319 I320	R316-E319 PolarHBondContact O-N 2.81Å; R316-I320 WeakPolarHBondContact O-CG1 3.4Å; R316-I320 PolarHBondContact O-N 3.44Å
317	I	57.5	Low	53.2	Low	131 Å²	131	145 Å²	145	67%	0.672	71%	0.714	S	S	*	*	H	α-helix	trans	-67	-37.3	175.2	-57.3	172.2	0	0	0	111.2	S315 E319 A321	S315-I317 PolarHBondContact O-N 3.01Å; S315-I317 VanDerWaalsContact OG-CB 3.29Å; S315-I317 WeakPolarHBondContact OG-CB 3.39Å; S315-I317 WeakPolarHBondContact OG-CG1 3.38Å; S315-I317 PolarHBondContact OG-N 3.43Å; I317-E319 VanDerWaalsContact C-N 3.3Å; I317-E319 PolarHBondContact O-N 3.38Å; I317-A321 WeakPolarHBondContact O-CB 3.28Å; I317-A321 PolarHBondContact O-N 3.24Å
318	T	58.1	Low	53.7	Low	70 Å²	70	151.7 Å²	151.7	43%	0.429	73%	0.731	S	S	.	*	H	α-helix	trans	-69.5	-31.7	177.8	-42.3	0	0	0	0	111.7	M314 S315 L322	M314-T318 HydrophobicContact CG-CG2 4Å; S315-T318 WeakPolarHBondContact O-CB 3.24Å; S315-T318 PolarHBondContact O-N 2.8Å; S315-T318 PolarHBondContact O-OG1 3.3Å; T318-L322 PolarHBondContact O-N 3.45Å
319	E	55.7	Low	54.7	Low	138 Å²	138	155.6 Å²	155.6	65%	0.645	74%	0.741	S	S	*	*	H	α-helix	trans	-71.8	-42	178.1	-153.5	169.6	-157.5	0	0	111.2	R316 I317 L322	R316-E319 PolarHBondContact O-N 2.81Å; I317-E319 VanDerWaalsContact C-N 3.3Å; I317-E319 PolarHBondContact O-N 3.38Å; E319-L322 PolarHBondContact O-N 3.03Å
320	I	57	Low	55.9	Low	111 Å²	111	153.6 Å²	153.6	57%	0.569	73%	0.726	S	S	*	*	H	α-helix	trans	-68.6	-35.1	174.2	-64.5	167.6	0	0	0	111.5	R316 L322 L323 R324	R316-I320 WeakPolarHBondContact O-CG1 3.4Å; R316-I320 PolarHBondContact O-N 3.44Å; I320-L322 VanDerWaalsContact C-N 3.28Å; I320-L322 PolarHBondContact O-N 3.32Å; I320-L323 PolarHBondContact O-N 3.16Å; I320-R324 PolarHBondContact O-N 2.82Å
321	A	57.5	Low	57.3	Low	67 Å²	67	147.4 Å²	147.4	55%	0.554	71%	0.71	S	S	*	*	H	α-helix	trans	-67.5	-26.1	176.6	0	0	0	0	0	113.3	I317	I317-A321 WeakPolarHBondContact O-CB 3.28Å; I317-A321 PolarHBondContact O-N 3.24Å
322	L	55.3	Low	58.7	Low	144 Å²	144	150 Å²	150	75%	0.754	70%	0.703	S	S	*	*	H	α-helix	trans	-74.3	-27.8	176.5	-145.4	89.6	0	0	0	112.3	T318 E319 I320	T318-L322 PolarHBondContact O-N 3.45Å; E319-L322 PolarHBondContact O-N 3.03Å; I320-L322 VanDerWaalsContact C-N 3.28Å; I320-L322 PolarHBondContact O-N 3.32Å
323	L	54.5	Low	59.9	Low	152 Å²	152	145.2 Å²	145.2	80%	0.796	69%	0.689	S	S	*	*	H	α-helix	trans	-81.6	-24.4	180	-69.5	170.2	0	0	0	113.2	I320 K325	I320-L323 PolarHBondContact O-N 3.16Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 3.46Å
324	R	51.2	Low	61.5	Low	216 Å²	216	140.4 Å²	140.4	82%	0.815	67%	0.674	S	S	*	*			trans	-92.8	62.9	175.5	-89.6	-176.3	165.6	174.5	-3.1	111.8	I320 Q326	I320-R324 PolarHBondContact O-N 2.82Å; R324-Q326 VanDerWaalsContact C-N 3.27Å; R324-Q326 PolarHBondContact O-N 3.31Å
325	K	55	Low	63.5	Low	196 Å²	196	138.6 Å²	138.6	85%	0.852	66%	0.662	S	S	*	*			trans	-82	73.1	173.8	-146.1	-178	-165.3	-178.7	0	110.4	L323	L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 3.46Å
326	Q	53.3	Low	64.6	Low	187 Å²	187	140.4 Å²	140.4	87%	0.874	66%	0.664	S	S	*	*			trans	-148.8	111.9	160.4	-104.7	172.2	11.8	0	0	109.9	R324	R324-Q326 VanDerWaalsContact C-N 3.27Å; R324-Q326 PolarHBondContact O-N 3.31Å
327	S	50.3	Low	66.3	Low	119 Å²	119	137 Å²	137	83%	0.832	66%	0.655	S	S	*	*			trans	111	128.7	171.5	-168.9	0	0	0	0	117.2	F329	S327-F329 PolarHBondContact O-N 3.04Å
328	R	63.7	Low	67.8	Low	257 Å²	257	132.8 Å²	132.8	97%	0.97	64%	0.64	S	S	*	*			trans	-68.3	32.8	-171.5	-87.5	173.4	146.9	177.6	-5.5	115.3	N330	R328-N330 PolarHBondContact O-N 2.78Å
329	F	70.3	Confident	69.3	Low	144 Å²	144	132.8 Å²	132.8	63%	0.632	64%	0.637	S	S	*	*			trans	-94.2	99.3	179.4	-173	-105.3	0	0	0	112	S327 A331 K334	S327-F329 PolarHBondContact O-N 3.04Å; F329-A331 HydrophobicContact CD1-CB 4.29Å; F329-A331 HydrophobicContact CE1-CB 3.75Å; F329-A331 HydrophobicContact CZ-CB 4.48Å; F329-A331 PolarHBondContact O-N 3.46Å; F329-K334 HydrophobicContact CD2-CG 4.37Å; F329-K334 HydrophobicContact CE2-CB 4.39Å; F329-K334 HydrophobicContact CE2-CG 3.83Å; F329-K334 HydrophobicContact CZ-CG 4.42Å
330	N	77.7	Confident	70.9	Confident	82 Å²	82	131.5 Å²	131.5	44%	0.439	63%	0.634	S	S	.	*			trans	-92.2	93	171.8	-170.5	-48.5	0	0	0	109.8	R328 R332 K333 K334	R328-N330 PolarHBondContact O-N 2.78Å; N330-R332 PolarHBondContact O-N 3.07Å; N330-R332 WeakPolarHBondContact OD1-CB 3.29Å; N330-R332 PolarHBondContact OD1-N 3.03Å; N330-K333 HydrophobicContact CB-CB 4.14Å; N330-K333 HydrophobicContact CB-CD 4.35Å; N330-K333 HydrophobicContact CB-CG 4.31Å; N330-K333 PolarHBondContact O-N 3.15Å; N330-K333 VanDerWaalsContact O-N 3.16Å; N330-K333 PolarHBondContact OD1-N 3.44Å; N330-K334 PolarHBondContact O-N 3.14Å
331	A	78.7	Confident	72.6	Confident	59 Å²	59	129 Å²	129	49%	0.488	62%	0.624	S	S	.	*	H	α-helix	trans	-53.2	-39.4	-179.4	0	0	0	0	0	112.5	F329 K334 F335	F329-A331 HydrophobicContact CD1-CB 4.29Å; F329-A331 HydrophobicContact CE1-CB 3.75Å; F329-A331 HydrophobicContact CZ-CB 4.48Å; F329-A331 PolarHBondContact O-N 3.46Å; A331-K334 PolarHBondContact O-N 3.48Å; A331-F335 VanDerWaalsContact O-CB 3.3Å; A331-F335 WeakPolarHBondContact O-CB 3.31Å; A331-F335 PolarHBondContact O-N 3.09Å
332	R	74.6	Confident	74.3	Confident	164 Å²	164	130.6 Å²	130.6	62%	0.619	62%	0.622	S	S	*	*	H	α-helix	trans	-63.5	-46.6	179.1	-174.3	177.8	-178	173.8	2.2	112.1	N330 F335 Q336	N330-R332 PolarHBondContact O-N 3.07Å; N330-R332 WeakPolarHBondContact OD1-CB 3.29Å; N330-R332 PolarHBondContact OD1-N 3.03Å; R332-F335 PolarHBondContact O-N 2.92Å; R332-Q336 WeakPolarHBondContact O-CB 3.24Å; R332-Q336 VanDerWaalsContact O-CG 3.27Å; R332-Q336 WeakPolarHBondContact O-CG 3.49Å; R332-Q336 PolarHBondContact O-N 2.64Å
333	K	77.4	Confident	75.7	Confident	145 Å²	145	130.4 Å²	130.4	63%	0.63	61%	0.611	S	S	*	*	H	α-helix	trans	-64.9	-40.9	177.2	-74.9	-172.8	175.5	-173.7	0	111.7	N330 Q336 F337	N330-K333 HydrophobicContact CB-CB 4.14Å; N330-K333 HydrophobicContact CB-CD 4.35Å; N330-K333 HydrophobicContact CB-CG 4.31Å; N330-K333 PolarHBondContact O-N 3.15Å; N330-K333 VanDerWaalsContact O-N 3.16Å; N330-K333 PolarHBondContact OD1-N 3.44Å; K333-Q336 PolarHBondContact O-N 3.27Å; K333-F337 WeakPolarHBondContact O-CB 2.99Å; K333-F337 PolarHBondContact O-N 2.95Å
334	K	85.1	Confident	77.2	Confident	133 Å²	133	125.2 Å²	125.2	58%	0.578	59%	0.59	S	S	*	*	H	α-helix	trans	-64.8	-41.7	176.9	-73.5	-73.7	-172	176	0	111.8	F329 N330 A331 F337 A338	F329-K334 HydrophobicContact CD2-CG 4.37Å; F329-K334 HydrophobicContact CE2-CB 4.39Å; F329-K334 HydrophobicContact CE2-CG 3.83Å; F329-K334 HydrophobicContact CZ-CG 4.42Å; N330-K334 PolarHBondContact O-N 3.14Å; A331-K334 PolarHBondContact O-N 3.48Å; K334-F337 PolarHBondContact O-N 3.19Å; K334-A338 PolarHBondContact O-N 2.87Å
335	F	87.1	Confident	79.1	Confident	132 Å²	132	118.9 Å²	118.9	58%	0.579	57%	0.572	S	S	*	*	H	α-helix	trans	-66.3	-43.2	175.9	-172.9	-113.4	0	0	0	112.4	A331 R332 F337 A338 I339	A331-F335 VanDerWaalsContact O-CB 3.3Å; A331-F335 WeakPolarHBondContact O-CB 3.31Å; A331-F335 PolarHBondContact O-N 3.09Å; R332-F335 PolarHBondContact O-N 2.92Å; F335-F337 VanDerWaalsContact C-N 3.31Å; F335-F337 PolarHBondContact O-N 3.43Å; F335-A338 PolarHBondContact O-N 3.33Å; F335-I339 HydrophobicContact CD1-CD1 3.88Å; F335-I339 HydrophobicContact CE1-CD1 3.58Å; F335-I339 HydrophobicContact CE1-CG1 4.39Å; F335-I339 HydrophobicContact CZ-CD1 4.07Å; F335-I339 HydrophobicContact CZ-CG1 4.47Å; F335-I339 WeakPolarHBondContact O-CG1 3.23Å; F335-I339 PolarHBondContact O-N 2.76Å
336	Q	82.2	Confident	80.4	Confident	94 Å²	94	113.3 Å²	113.3	44%	0.439	55%	0.55	S	S	.	.	H	α-helix	trans	-59.7	-41.6	173.7	-75.7	173.4	-26	0	0	112.2	R332 K333 I339 L340	R332-Q336 WeakPolarHBondContact O-CB 3.24Å; R332-Q336 VanDerWaalsContact O-CG 3.27Å; R332-Q336 WeakPolarHBondContact O-CG 3.49Å; R332-Q336 PolarHBondContact O-N 2.64Å; K333-Q336 PolarHBondContact O-N 3.27Å; Q336-I339 PolarHBondContact O-N 2.95Å; Q336-L340 PolarHBondContact O-N 2.83Å
337	F	89.6	Confident	81.6	Confident	135 Å²	135	112.1 Å²	112.1	59%	0.592	54%	0.538	S	S	*	.	H	α-helix	trans	-64.7	-42.8	175.4	-173.4	-102.3	0	0	0	111.8	K333 K334 F335 I339 L340 V341	K333-F337 WeakPolarHBondContact O-CB 2.99Å; K333-F337 PolarHBondContact O-N 2.95Å; K334-F337 PolarHBondContact O-N 3.19Å; F335-F337 VanDerWaalsContact C-N 3.31Å; F335-F337 PolarHBondContact O-N 3.43Å; F337-I339 VanDerWaalsContact C-N 3.34Å; F337-I339 PolarHBondContact O-N 3.37Å; F337-L340 WeakPolarHBondContact O-CB 3.3Å; F337-L340 PolarHBondContact O-N 3.41Å; F337-L340 VanDerWaalsContact O-N 3.14Å; F337-V341 HydrophobicContact CD1-CG2 4.01Å; F337-V341 HydrophobicContact CE1-CG2 3.67Å; F337-V341 HydrophobicContact CE2-CG2 4.48Å; F337-V341 HydrophobicContact CZ-CG2 3.93Å; F337-V341 WeakPolarHBondContact O-CG2 3.42Å; F337-V341 PolarHBondContact O-N 3.3Å
338	A	89.8	Confident	83.2	Confident	43 Å²	43	111.9 Å²	111.9	36%	0.355	53%	0.526	S	S	.	.	H	α-helix	trans	-59.9	-42	174.8	0	0	0	0	0	112.2	K334 F335 L340 V341 I342	K334-A338 PolarHBondContact O-N 2.87Å; F335-A338 PolarHBondContact O-N 3.33Å; A338-L340 VanDerWaalsContact C-N 3.35Å; A338-L340 PolarHBondContact O-N 3.25Å; A338-V341 PolarHBondContact O-N 3.04Å; A338-I342 VanDerWaalsContact O-CG1 3.31Å; A338-I342 WeakPolarHBondContact O-CG1 3.25Å; A338-I342 PolarHBondContact O-N 3.31Å
339	I	90	Very high	84.1	Confident	70 Å²	70	108.8 Å²	108.8	36%	0.359	51%	0.514	S	S	.	.	H	α-helix	trans	-60.3	-45	173.5	-68	169.9	0	0	0	110.9	F335 Q336 F337 I342 R343	F335-I339 HydrophobicContact CD1-CD1 3.88Å; F335-I339 HydrophobicContact CE1-CD1 3.58Å; F335-I339 HydrophobicContact CE1-CG1 4.39Å; F335-I339 HydrophobicContact CZ-CD1 4.07Å; F335-I339 HydrophobicContact CZ-CG1 4.47Å; F335-I339 WeakPolarHBondContact O-CG1 3.23Å; F335-I339 PolarHBondContact O-N 2.76Å; Q336-I339 PolarHBondContact O-N 2.95Å; F337-I339 VanDerWaalsContact C-N 3.34Å; F337-I339 PolarHBondContact O-N 3.37Å; I339-I342 PolarHBondContact O-N 3.03Å; I339-R343 HydrophobicContact CG2-CG 4.3Å; I339-R343 WeakPolarHBondContact O-CB 3.44Å; I339-R343 VanDerWaalsContact O-CG 3.26Å; I339-R343 WeakPolarHBondContact O-CG 3.37Å; I339-R343 PolarHBondContact O-N 3.33Å
340	L	88.8	Confident	84.4	Confident	112 Å²	112	109.7 Å²	109.7	59%	0.586	51%	0.513	S	S	*	.	H	α-helix	trans	-61.3	-44.5	178.3	-82.5	162.9	0	0	0	111.8	Q336 F337 A338 R343 A344	Q336-L340 PolarHBondContact O-N 2.83Å; F337-L340 WeakPolarHBondContact O-CB 3.3Å; F337-L340 PolarHBondContact O-N 3.41Å; F337-L340 VanDerWaalsContact O-N 3.14Å; A338-L340 VanDerWaalsContact C-N 3.35Å; A338-L340 PolarHBondContact O-N 3.25Å; L340-R343 PolarHBondContact O-N 2.95Å; L340-A344 WeakPolarHBondContact O-CB 3.31Å; L340-A344 PolarHBondContact O-N 3.41Å
341	V	93.3	Very high	84.1	Confident	58 Å²	58	110.9 Å²	110.9	35%	0.352	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-46.8	176.7	171.5	0	0	0	0	110.8	F337 A338 R343 A344 I345	F337-V341 HydrophobicContact CD1-CG2 4.01Å; F337-V341 HydrophobicContact CE1-CG2 3.67Å; F337-V341 HydrophobicContact CE2-CG2 4.48Å; F337-V341 HydrophobicContact CZ-CG2 3.93Å; F337-V341 WeakPolarHBondContact O-CG2 3.42Å; F337-V341 PolarHBondContact O-N 3.3Å; A338-V341 PolarHBondContact O-N 3.04Å; V341-R343 PolarHBondContact O-N 3.39Å; V341-A344 PolarHBondContact O-N 3.2Å; V341-I345 HydrophobicContact CG1-CD1 3.76Å; V341-I345 HydrophobicContact CG1-CG1 4.42Å; V341-I345 WeakPolarHBondContact O-CG1 3.31Å; V341-I345 PolarHBondContact O-N 2.86Å
342	I	92.1	Very high	83.6	Confident	100 Å²	100	117.8 Å²	117.8	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-61.6	-44.4	177	-69.4	169.6	0	0	0	110.8	A338 I339 A344 I345 I346	A338-I342 VanDerWaalsContact O-CG1 3.31Å; A338-I342 WeakPolarHBondContact O-CG1 3.25Å; A338-I342 PolarHBondContact O-N 3.31Å; I339-I342 PolarHBondContact O-N 3.03Å; I342-A344 VanDerWaalsContact C-N 3.32Å; I342-A344 PolarHBondContact O-N 3.45Å; I342-I345 PolarHBondContact O-N 3.12Å; I342-I346 HydrophobicContact CG2-CD1 3.72Å; I342-I346 HydrophobicContact CG2-CG1 4.37Å; I342-I346 WeakPolarHBondContact O-CB 3.47Å; I342-I346 VanDerWaalsContact O-CG1 3.25Å; I342-I346 WeakPolarHBondContact O-CG1 3.37Å; I342-I346 PolarHBondContact O-N 3.02Å
343	R	84.4	Confident	83.2	Confident	141 Å²	141	116.8 Å²	116.8	53%	0.532	53%	0.533	S	S	.	.	H	α-helix	trans	-62.9	-38.5	176.7	-71.4	177	92.7	168.2	7.8	111.9	I339 L340 V341 R347	I339-R343 HydrophobicContact CG2-CG 4.3Å; I339-R343 WeakPolarHBondContact O-CB 3.44Å; I339-R343 VanDerWaalsContact O-CG 3.26Å; I339-R343 WeakPolarHBondContact O-CG 3.37Å; I339-R343 PolarHBondContact O-N 3.33Å; L340-R343 PolarHBondContact O-N 2.95Å; V341-R343 PolarHBondContact O-N 3.39Å; R343-R347 WeakPolarHBondContact O-CB 3.49Å; R343-R347 WeakPolarHBondContact O-CG 3.22Å; R343-R347 PolarHBondContact O-N 3.42Å
344	A	87.7	Confident	82.4	Confident	43 Å²	43	114 Å²	114	36%	0.355	53%	0.528	S	S	.	.	H	α-helix	trans	-65.8	-47.3	175.6	0	0	0	0	0	111.4	L340 V341 I342 I346 R347 I348	L340-A344 WeakPolarHBondContact O-CB 3.31Å; L340-A344 PolarHBondContact O-N 3.41Å; V341-A344 PolarHBondContact O-N 3.2Å; I342-A344 VanDerWaalsContact C-N 3.32Å; I342-A344 PolarHBondContact O-N 3.45Å; A344-I346 VanDerWaalsContact C-N 3.34Å; A344-I346 PolarHBondContact O-N 2.93Å; A344-R347 WeakPolarHBondContact O-CB 3.36Å; A344-R347 PolarHBondContact O-N 2.81Å; A344-R347 VanDerWaalsContact O-N 3.13Å; A344-I348 WeakPolarHBondContact O-CG1 3.5Å; A344-I348 PolarHBondContact O-N 3.48Å
345	I	90.4	Very high	81.1	Confident	83 Å²	83	112.5 Å²	112.5	43%	0.426	54%	0.54	S	S	.	.	H	α-helix	trans	-61.8	-41.3	176.9	-68.1	169.8	0	0	0	111.1	V341 I342 I348 R349	V341-I345 HydrophobicContact CG1-CD1 3.76Å; V341-I345 HydrophobicContact CG1-CG1 4.42Å; V341-I345 WeakPolarHBondContact O-CG1 3.31Å; V341-I345 PolarHBondContact O-N 2.86Å; I342-I345 PolarHBondContact O-N 3.12Å; I345-I348 PolarHBondContact O-N 2.8Å; I345-R349 HydrophobicContact CG2-CG 4.48Å; I345-R349 WeakPolarHBondContact O-CB 3.45Å; I345-R349 WeakPolarHBondContact O-CG 3.33Å; I345-R349 PolarHBondContact O-N 2.76Å
346	I	81.6	Confident	80	Confident	78 Å²	78	114.5 Å²	114.5	40%	0.4	55%	0.551	S	S	.	*	H	α-helix	trans	-63	-42.5	174.7	-69.7	169.4	0	0	0	110.6	I342 A344 R349 R350	I342-I346 HydrophobicContact CG2-CD1 3.72Å; I342-I346 HydrophobicContact CG2-CG1 4.37Å; I342-I346 WeakPolarHBondContact O-CB 3.47Å; I342-I346 VanDerWaalsContact O-CG1 3.25Å; I342-I346 WeakPolarHBondContact O-CG1 3.37Å; I342-I346 PolarHBondContact O-N 3.02Å; A344-I346 VanDerWaalsContact C-N 3.34Å; A344-I346 PolarHBondContact O-N 2.93Å; I346-R349 PolarHBondContact O-N 3.5Å; I346-R350 HydrophobicContact CG2-CG 4.46Å; I346-R350 VanDerWaalsContact O-CB 3.29Å; I346-R350 WeakPolarHBondContact O-CB 3.39Å; I346-R350 VanDerWaalsContact O-CG 3.23Å; I346-R350 WeakPolarHBondContact O-CG 3.48Å; I346-R350 PolarHBondContact O-N 2.95Å
347	R	79.9	Confident	79.3	Confident	163 Å²	163	115.9 Å²	115.9	62%	0.615	57%	0.569	S	S	*	*	H	α-helix	trans	-63.5	-43.3	175.4	-78.7	179.1	176	130.3	-7.3	112.2	R343 A344 R350 L351	R343-R347 WeakPolarHBondContact O-CB 3.49Å; R343-R347 WeakPolarHBondContact O-CG 3.22Å; R343-R347 PolarHBondContact O-N 3.42Å; A344-R347 WeakPolarHBondContact O-CB 3.36Å; A344-R347 PolarHBondContact O-N 2.81Å; A344-R347 VanDerWaalsContact O-N 3.13Å; R347-R350 CarbonylContact O-C 3.56Å; R347-R350 VanDerWaalsContact O-C 3.31Å; R347-R350 WeakPolarHBondContact O-CA 3.4Å; R347-R350 PolarHBondContact O-N 2.99Å; R347-R350 VanDerWaalsContact O-N 3.14Å; R347-L351 PolarHBondContact O-N 3.04Å
348	I	83.9	Confident	78.3	Confident	113 Å²	113	113.8 Å²	113.8	58%	0.579	56%	0.563	S	S	*	*	H	α-helix	trans	-65.1	-42.6	176.6	-67.1	166.8	0	0	0	111.2	A344 I345 R350 L351	A344-I348 WeakPolarHBondContact O-CG1 3.5Å; A344-I348 PolarHBondContact O-N 3.48Å; I345-I348 PolarHBondContact O-N 2.8Å; I348-R350 PolarHBondContact O-N 3.01Å; I348-L351 HydrophobicContact CG1-CD1 4.37Å; I348-L351 WeakPolarHBondContact O-CB 3.47Å; I348-L351 PolarHBondContact O-N 3.18Å; I348-L351 VanDerWaalsContact O-N 3.13Å
349	R	80.8	Confident	77.7	Confident	192 Å²	192	117 Å²	117	73%	0.725	57%	0.571	S	S	*	*	H	α-helix	trans	-64.3	-27.5	173.3	-79.6	-174.6	163.5	-175.8	-4.1	112.9	I345 I346	I345-R349 HydrophobicContact CG2-CG 4.48Å; I345-R349 WeakPolarHBondContact O-CB 3.45Å; I345-R349 WeakPolarHBondContact O-CG 3.33Å; I345-R349 PolarHBondContact O-N 2.76Å; I346-R349 PolarHBondContact O-N 3.5Å
350	R	77.9	Confident	77.1	Confident	163 Å²	163	118.6 Å²	118.6	62%	0.615	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	5.1	176.3	-68.1	-179.2	-178.1	-161.3	0.6	113.6	I346 R347 I348 R352 F353 T354	I346-R350 HydrophobicContact CG2-CG 4.46Å; I346-R350 VanDerWaalsContact O-CB 3.29Å; I346-R350 WeakPolarHBondContact O-CB 3.39Å; I346-R350 VanDerWaalsContact O-CG 3.23Å; I346-R350 WeakPolarHBondContact O-CG 3.48Å; I346-R350 PolarHBondContact O-N 2.95Å; R347-R350 CarbonylContact O-C 3.56Å; R347-R350 VanDerWaalsContact O-C 3.31Å; R347-R350 WeakPolarHBondContact O-CA 3.4Å; R347-R350 PolarHBondContact O-N 2.99Å; R347-R350 VanDerWaalsContact O-N 3.14Å; I348-R350 PolarHBondContact O-N 3.01Å; R350-R352 VanDerWaalsContact C-N 3.26Å; R350-R352 PolarHBondContact O-N 3.46Å; R350-F353 HydrophobicContact CB-CD2 4.17Å; R350-F353 HydrophobicContact CG-CD2 4.23Å; R350-F353 CarbonylContact O-C 3.45Å; R350-F353 WeakPolarHBondContact O-CA 3.39Å; R350-F353 WeakPolarHBondContact O-CB 3.45Å; R350-F353 PolarHBondContact O-N 3.33Å; R350-T354 PolarHBondContact O-N 3.24Å; R350-T354 VanDerWaalsContact O-N 3.16Å
351	L	71.8	Confident	76.8	Confident	107 Å²	107	120 Å²	120	56%	0.56	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-68.5	-29.5	-175.5	-136.7	139.1	0	0	0	111.6	R347 I348 F353 T354	R347-L351 PolarHBondContact O-N 3.04Å; I348-L351 HydrophobicContact CG1-CD1 4.37Å; I348-L351 WeakPolarHBondContact O-CB 3.47Å; I348-L351 PolarHBondContact O-N 3.18Å; I348-L351 VanDerWaalsContact O-N 3.13Å; L351-F353 PolarHBondContact O-N 3.02Å; L351-T354 VanDerWaalsContact C-OG1 3.26Å; L351-T354 WeakPolarHBondContact CA-OG1 3.41Å; L351-T354 PolarHBondContact O-N 2.91Å; L351-T354 PolarHBondContact O-OG1 3.05Å
352	R	68.3	Low	75.8	Confident	204 Å²	204	121.2 Å²	121.2	77%	0.77	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-65.4	-10.3	166.9	66.2	179.1	177	169.1	3.3	114.9	R350	R350-R352 VanDerWaalsContact C-N 3.26Å; R350-R352 PolarHBondContact O-N 3.46Å
353	F	64.8	Low	75.2	Confident	144 Å²	144	117.1 Å²	117.1	63%	0.632	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-114.8	0.2	177.5	-50.4	-63	0	0	0	111.9	R350 L351	R350-F353 HydrophobicContact CB-CD2 4.17Å; R350-F353 HydrophobicContact CG-CD2 4.23Å; R350-F353 CarbonylContact O-C 3.45Å; R350-F353 WeakPolarHBondContact O-CA 3.39Å; R350-F353 WeakPolarHBondContact O-CB 3.45Å; R350-F353 PolarHBondContact O-N 3.33Å; L351-F353 PolarHBondContact O-N 3.02Å
354	T	61.3	Low	75	Confident	87 Å²	87	116.9 Å²	116.9	53%	0.534	58%	0.578	S	S	.	*	S	Bend	trans	-76.1	132.6	168.1	18	0	0	0	0	108.6	R350 L351 E356	R350-T354 PolarHBondContact O-N 3.24Å; R350-T354 VanDerWaalsContact O-N 3.16Å; L351-T354 VanDerWaalsContact C-OG1 3.26Å; L351-T354 WeakPolarHBondContact CA-OG1 3.41Å; L351-T354 PolarHBondContact O-N 2.91Å; L351-T354 PolarHBondContact O-OG1 3.05Å; T354-E356 PolarHBondContact O-N 3.42Å
355	A	57.9	Low	74.8	Confident	100 Å²	100	125.8 Å²	125.8	83%	0.826	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-56.4	125	177.6	0	0	0	0	0	109.9
356	E	63	Low	74.3	Confident	174 Å²	174	125.2 Å²	125.2	81%	0.813	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-64.9	151	170.4	-67	-178.7	168.7	0	0	109.7	T354 L358	T354-E356 PolarHBondContact O-N 3.42Å; E356-L358 PolarHBondContact O-N 3.16Å
357	P	67.5	Low	74.2	Confident	124 Å²	124	123.4 Å²	123.4	81%	0.805	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-54.4	127.6	170.2	-20.1	31	0	0	0	109.7	H359	P357-H359 PolarHBondContact O-N 3.22Å; P357-H359 VanDerWaalsContact O-N 3.15Å
358	L	68.6	Low	74	Confident	90 Å²	90	119 Å²	119	47%	0.471	58%	0.577	S	S	.	*			trans	-62.7	114.6	-179	-176.1	74	0	0	0	110.3	E356 V360 A363 V370 L373	E356-L358 PolarHBondContact O-N 3.16Å; L358-V360 PolarHBondContact O-N 3.24Å; L358-A363 HydrophobicContact CD1-CB 4.29Å; L358-A363 HydrophobicContact CD2-CB 3.95Å; L358-A363 HydrophobicContact CG-CB 4.08Å; L358-V370 HydrophobicContact CD1-CB 4.1Å; L358-V370 HydrophobicContact CD1-CG1 3.49Å; L358-V370 VanDerWaalsContact CD1-CG1 3.49Å; L358-V370 HydrophobicContact CD1-CG2 3.52Å; L358-L373 HydrophobicContact CD2-CD1 4Å; L358-L373 HydrophobicContact CD2-CG 4.37Å
359	H	77	Confident	73.7	Confident	112 Å²	112	121.4 Å²	121.4	52%	0.519	58%	0.579	S	S	.	*			trans	-70.7	119.6	174	-139.7	-91.4	0	0	0	109.3	P357 E361 E362 A363	P357-H359 PolarHBondContact O-N 3.22Å; P357-H359 VanDerWaalsContact O-N 3.15Å; H359-E361 IonicContact CE1-OE2 3.12Å; H359-E361 PolarHBondContact CE1-OE2 2.96Å; H359-E361 IonicContact ND1-OE2 3.17Å; H359-E361 PolarHBondContact ND1-OE2 3.38Å; H359-E361 PolarHBondContact O-N 2.93Å; H359-E362 HydrophobicContact CB-CB 4.21Å; H359-E362 PolarHBondContact O-N 2.86Å; H359-E362 VanDerWaalsContact O-N 3.1Å; H359-A363 PolarHBondContact O-N 3.42Å
360	V	78.4	Confident	73.5	Confident	103 Å²	103	113.7 Å²	113.7	62%	0.624	55%	0.553	S	S	*	*	H	α-helix	trans	-57.7	-38.7	-174.6	176.6	0	0	0	0	111.6	L358 E362 A363 I364	L358-V360 PolarHBondContact O-N 3.24Å; V360-E362 PolarHBondContact O-N 3.46Å; V360-A363 PolarHBondContact O-N 2.93Å; V360-I364 HydrophobicContact CG1-CD1 3.91Å; V360-I364 VanDerWaalsContact O-CG1 3.31Å; V360-I364 WeakPolarHBondContact O-CG1 3.44Å; V360-I364 PolarHBondContact O-N 3.42Å
361	E	81.3	Confident	73.4	Confident	140 Å²	140	109.9 Å²	109.9	65%	0.654	54%	0.541	S	S	*	.	H	α-helix	trans	-64.3	-39.4	178.6	-66.6	157.6	176.8	0	0	112.7	H359 I364 R365	H359-E361 IonicContact CE1-OE2 3.12Å; H359-E361 PolarHBondContact CE1-OE2 2.96Å; H359-E361 IonicContact ND1-OE2 3.17Å; H359-E361 PolarHBondContact ND1-OE2 3.38Å; H359-E361 PolarHBondContact O-N 2.93Å; E361-I364 PolarHBondContact O-N 2.93Å; E361-R365 WeakPolarHBondContact O-CB 3.31Å; E361-R365 PolarHBondContact O-N 3.37Å
362	E	73.4	Confident	73.6	Confident	84 Å²	84	109.8 Å²	109.8	39%	0.393	55%	0.545	S	S	.	.	H	α-helix	trans	-72.2	-38	178.5	-167.2	171.8	-169.3	0	0	111	H359 V360 I364 R365 D366 R369	H359-E362 HydrophobicContact CB-CB 4.21Å; H359-E362 PolarHBondContact O-N 2.86Å; H359-E362 VanDerWaalsContact O-N 3.1Å; V360-E362 PolarHBondContact O-N 3.46Å; E362-I364 VanDerWaalsContact C-N 3.31Å; E362-I364 PolarHBondContact O-N 3.38Å; E362-R365 PolarHBondContact O-N 2.96Å; E362-D366 PolarHBondContact O-N 3.35Å; E362-R369 IonicContact OE1-CZ 3.42Å; E362-R369 IonicContact OE1-NE 2.77Å; E362-R369 IonicContact OE1-NH1 3.15Å; E362-R369 PolarHBondContact OE1-NH1 3.42Å
363	A	78.4	Confident	74.2	Confident	15 Å²	15	102.5 Å²	102.5	12%	0.124	52%	0.521	C	S	.	.	H	α-helix	trans	-63.2	-33.6	173.4	0	0	0	0	0	113.3	L358 H359 V360 P367 L373	L358-A363 HydrophobicContact CD1-CB 4.29Å; L358-A363 HydrophobicContact CD2-CB 3.95Å; L358-A363 HydrophobicContact CG-CB 4.08Å; H359-A363 PolarHBondContact O-N 3.42Å; V360-A363 PolarHBondContact O-N 2.93Å; A363-P367 WeakPolarHBondContact O-CA 3.45Å; A363-P367 VanDerWaalsContact O-CB 3.26Å; A363-P367 WeakPolarHBondContact O-CB 3.34Å; A363-P367 WeakPolarHBondContact O-CD 3.27Å; A363-L373 HydrophobicContact CB-CD1 3.64Å
364	I	81.4	Confident	75.1	Confident	135 Å²	135	96.4 Å²	96.4	69%	0.692	49%	0.494	S	S	*	.	H	α-helix	trans	-74.2	-40.9	175.1	-69.2	166.4	0	0	0	110.9	V360 E361 E362	V360-I364 HydrophobicContact CG1-CD1 3.91Å; V360-I364 VanDerWaalsContact O-CG1 3.31Å; V360-I364 WeakPolarHBondContact O-CG1 3.44Å; V360-I364 PolarHBondContact O-N 3.42Å; E361-I364 PolarHBondContact O-N 2.93Å; E362-I364 VanDerWaalsContact C-N 3.31Å; E362-I364 PolarHBondContact O-N 3.38Å
365	R	83.7	Confident	75.8	Confident	230 Å²	230	97 Å²	97	87%	0.868	49%	0.489	S	S	*	.	H	α-helix	trans	-71.6	-43.1	-176.2	-174.8	-179.6	177.6	-173.4	0.2	112.8	E361 E362	E361-R365 WeakPolarHBondContact O-CB 3.31Å; E361-R365 PolarHBondContact O-N 3.37Å; E362-R365 PolarHBondContact O-N 2.96Å
366	D	78.6	Confident	76.9	Confident	72 Å²	72	96.4 Å²	96.4	39%	0.385	48%	0.475	S	S	.	.			trans	-146.4	79.1	-179.8	-174	-3.7	0	0	0	110.7	E362 Y368 R369	E362-D366 PolarHBondContact O-N 3.35Å; D366-Y368 PolarHBondContact O-N 3.48Å; D366-Y368 PolarHBondContact OD1-N 2.92Å; D366-R369 HydrophobicContact CB-CB 4.28Å; D366-R369 WeakPolarHBondContact O-CB 3.33Å; D366-R369 PolarHBondContact O-N 3.22Å; D366-R369 PolarHBondContact OD1-N 2.9Å; D366-R369 VanDerWaalsContact OD1-N 3.13Å
367	P	79.6	Confident	77.8	Confident	39 Å²	39	90.7 Å²	90.7	25%	0.253	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-64.5	-24.1	-180	24.1	-32.6	0	0	0	112.9	A363 R369 V370 L373 I377	A363-P367 WeakPolarHBondContact O-CA 3.45Å; A363-P367 VanDerWaalsContact O-CB 3.26Å; A363-P367 WeakPolarHBondContact O-CB 3.34Å; A363-P367 WeakPolarHBondContact O-CD 3.27Å; P367-R369 VanDerWaalsContact C-N 3.32Å; P367-R369 PolarHBondContact O-N 3.14Å; P367-V370 PolarHBondContact O-N 3.02Å; P367-L373 HydrophobicContact CB-CD1 4.31Å; P367-L373 WeakPolarHBondContact O-CB 3.36Å; P367-I377 HydrophobicContact CB-CD1 3.74Å; P367-I377 HydrophobicContact CG-CD1 4.2Å
368	Y	77.6	Confident	78.4	Confident	72 Å²	72	85.9 Å²	85.9	28%	0.282	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-74.9	-20.7	-179.9	-88.1	-92.2	0	0	0	112.7	D366 V370 R374 I377 D378	D366-Y368 PolarHBondContact O-N 3.48Å; D366-Y368 PolarHBondContact OD1-N 2.92Å; Y368-V370 PolarHBondContact O-N 3.39Å; Y368-R374 HydrophobicContact CD1-CG 3.77Å; Y368-R374 HydrophobicContact CE1-CG 4.19Å; Y368-R374 VanDerWaalsContact O-CZ 3.24Å; Y368-R374 PolarHBondContact O-NE 2.97Å; Y368-R374 PolarHBondContact O-NH2 2.82Å; Y368-I377 HydrophobicContact CD2-CD1 4.48Å; Y368-I377 HydrophobicContact CE2-CD1 4.29Å; Y368-I377 HydrophobicContact CE2-CG2 3.94Å; Y368-I377 WeakPolarHBondContact OH-CG2 3.29Å; Y368-D378 WeakPolarHBondContact CE1-OD1 3.37Å
369	R	76.2	Confident	78.9	Confident	163 Å²	163	82.7 Å²	82.7	62%	0.615	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-63	-31.2	171	-168.9	175.2	-178	-175.5	3.9	112.6	E362 D366 P367 R374	E362-R369 IonicContact OE1-CZ 3.42Å; E362-R369 IonicContact OE1-NE 2.77Å; E362-R369 IonicContact OE1-NH1 3.15Å; E362-R369 PolarHBondContact OE1-NH1 3.42Å; D366-R369 HydrophobicContact CB-CB 4.28Å; D366-R369 WeakPolarHBondContact O-CB 3.33Å; D366-R369 PolarHBondContact O-N 3.22Å; D366-R369 PolarHBondContact OD1-N 2.9Å; D366-R369 VanDerWaalsContact OD1-N 3.13Å; P367-R369 VanDerWaalsContact C-N 3.32Å; P367-R369 PolarHBondContact O-N 3.14Å; R369-R374 PolarHBondContact O-NH2 3.38Å
370	V	76.2	Confident	79	Confident	30 Å²	30	80.6 Å²	80.6	18%	0.182	40%	0.403	C	S	.	.	S	Bend	trans	-91.4	112.4	-173.8	179.2	0	0	0	0	109.8	L358 P367 Y368 V372 L373 R374	L358-V370 HydrophobicContact CD1-CB 4.1Å; L358-V370 HydrophobicContact CD1-CG1 3.49Å; L358-V370 VanDerWaalsContact CD1-CG1 3.49Å; L358-V370 HydrophobicContact CD1-CG2 3.52Å; P367-V370 PolarHBondContact O-N 3.02Å; Y368-V370 PolarHBondContact O-N 3.39Å; V370-V372 VanDerWaalsContact C-N 3.26Å; V370-V372 PolarHBondContact O-N 2.87Å; V370-V372 VanDerWaalsContact O-N 3.11Å; V370-L373 HydrophobicContact CB-CB 4.14Å; V370-L373 HydrophobicContact CB-CD1 4.07Å; V370-L373 HydrophobicContact CB-CG 4.16Å; V370-L373 HydrophobicContact CG1-CB 4.25Å; V370-L373 HydrophobicContact CG1-CD1 4.2Å; V370-L373 HydrophobicContact CG1-CG 3.95Å; V370-L373 HydrophobicContact CG2-CD1 4.4Å; V370-L373 PolarHBondContact O-N 3.22Å; V370-R374 WeakPolarHBondContact O-CB 3.26Å; V370-R374 PolarHBondContact O-N 3.45Å
371	K	75.9	Confident	79	Confident	83 Å²	83	77.2 Å²	77.2	36%	0.361	39%	0.386	S	S	.	.	H	α-helix	trans	-49	-44.1	-176.2	-172.5	-175.9	-162.3	169.9	0	114.2	D259 K375	D259-K371 HydrophobicContact CB-CD 3.78Å; D259-K371 VanDerWaalsContact CB-CE 3.47Å; D259-K371 VanDerWaalsContact CG-CD 3.49Å; D259-K371 WeakPolarHBondContact OD2-CB 3.46Å; D259-K371 VanDerWaalsContact OD2-CD 3.31Å; D259-K371 WeakPolarHBondContact OD2-CD 3.43Å; D259-K371 VanDerWaalsContact OD2-CG 3.22Å; D259-K371 WeakPolarHBondContact OD2-CG 3.38Å; K371-K375 WeakPolarHBondContact O-CB 3.33Å; K371-K375 WeakPolarHBondContact O-CG 3.5Å; K371-K375 PolarHBondContact O-N 3.35Å; K371-K375 VanDerWaalsContact O-N 3.07Å
372	V	77.3	Confident	78.7	Confident	105 Å²	105	71.2 Å²	71.2	64%	0.636	36%	0.357	S	S	*	.	H	α-helix	trans	-67.6	-45.2	-177.3	179.5	0	0	0	0	110.7	V370 V376	V370-V372 VanDerWaalsContact C-N 3.26Å; V370-V372 PolarHBondContact O-N 2.87Å; V370-V372 VanDerWaalsContact O-N 3.11Å; V372-V376 WeakPolarHBondContact O-CG2 3.43Å; V372-V376 PolarHBondContact O-N 3.32Å
373	L	81.2	Confident	78.7	Confident	50 Å²	50	78 Å²	78	26%	0.262	38%	0.379	S	S	.	.	H	α-helix	trans	-67	-46.3	177.9	-66.6	-178.4	0	0	0	111.3	L358 A363 P367 V370 K375 V376 I377	L358-L373 HydrophobicContact CD2-CD1 4Å; L358-L373 HydrophobicContact CD2-CG 4.37Å; A363-L373 HydrophobicContact CB-CD1 3.64Å; P367-L373 HydrophobicContact CB-CD1 4.31Å; P367-L373 WeakPolarHBondContact O-CB 3.36Å; V370-L373 HydrophobicContact CB-CB 4.14Å; V370-L373 HydrophobicContact CB-CD1 4.07Å; V370-L373 HydrophobicContact CB-CG 4.16Å; V370-L373 HydrophobicContact CG1-CB 4.25Å; V370-L373 HydrophobicContact CG1-CD1 4.2Å; V370-L373 HydrophobicContact CG1-CG 3.95Å; V370-L373 HydrophobicContact CG2-CD1 4.4Å; V370-L373 PolarHBondContact O-N 3.22Å; L373-K375 VanDerWaalsContact C-N 3.32Å; L373-K375 PolarHBondContact O-N 2.83Å; L373-V376 WeakPolarHBondContact O-CB 3.36Å; L373-V376 PolarHBondContact O-N 3.43Å; L373-I377 VanDerWaalsContact O-CG1 3.28Å; L373-I377 WeakPolarHBondContact O-CG1 3.2Å; L373-I377 PolarHBondContact O-N 2.88Å
374	R	81.8	Confident	78.6	Confident	17 Å²	17	81.3 Å²	81.3	6%	0.064	40%	0.398	C	S	.	.	H	α-helix	trans	-49.1	-52.1	173.9	-172.8	-169.1	-42.2	124	11.5	111.8	P255 D259 Y368 R369 V370 V376 I377 D378	P255-R374 PolarHBondContact O-NH1 3.42Å; D259-R374 IonicContact OD2-NH1 2.65Å; D259-R374 PolarHBondContact OD2-NH1 2.87Å; Y368-R374 HydrophobicContact CD1-CG 3.77Å; Y368-R374 HydrophobicContact CE1-CG 4.19Å; Y368-R374 VanDerWaalsContact O-CZ 3.24Å; Y368-R374 PolarHBondContact O-NE 2.97Å; Y368-R374 PolarHBondContact O-NH2 2.82Å; R369-R374 PolarHBondContact O-NH2 3.38Å; V370-R374 WeakPolarHBondContact O-CB 3.26Å; V370-R374 PolarHBondContact O-N 3.45Å; R374-V376 VanDerWaalsContact C-N 3.3Å; R374-V376 PolarHBondContact O-N 3.13Å; R374-I377 PolarHBondContact O-N 2.86Å; R374-I377 VanDerWaalsContact O-N 3.16Å; R374-D378 VanDerWaalsContact O-CG 3.27Å; R374-D378 PolarHBondContact O-N 3.13Å
375	K	76.6	Confident	78.2	Confident	100 Å²	100	81 Å²	81	44%	0.435	39%	0.389	S	S	.	.	H	α-helix	trans	-59.7	-38.4	178.3	-77.8	-172.5	172.2	-154.2	0	113.5	K371 L373 G379	K371-K375 WeakPolarHBondContact O-CB 3.33Å; K371-K375 WeakPolarHBondContact O-CG 3.5Å; K371-K375 PolarHBondContact O-N 3.35Å; K371-K375 VanDerWaalsContact O-N 3.07Å; L373-K375 VanDerWaalsContact C-N 3.32Å; L373-K375 PolarHBondContact O-N 2.83Å; K375-G379 PolarHBondContact O-N 2.94Å
376	V	81.1	Confident	77.2	Confident	87 Å²	87	70.8 Å²	70.8	53%	0.527	36%	0.355	S	S	.	.	H	α-helix	trans	-68.9	-43.6	176.6	172.8	0	0	0	0	110.4	V372 L373 R374 G379 C380	V372-V376 WeakPolarHBondContact O-CG2 3.43Å; V372-V376 PolarHBondContact O-N 3.32Å; L373-V376 WeakPolarHBondContact O-CB 3.36Å; L373-V376 PolarHBondContact O-N 3.43Å; R374-V376 VanDerWaalsContact C-N 3.3Å; R374-V376 PolarHBondContact O-N 3.13Å; V376-G379 PolarHBondContact O-N 3.16Å; V376-C380 WeakPolarHBondContact O-CB 3.46Å; V376-C380 PolarHBondContact O-N 3.19Å; V376-C380 PolarHBondContact O-SG 3.3Å
377	I	82.6	Confident	76.6	Confident	54 Å²	54	73.9 Å²	73.9	28%	0.277	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-51.2	178.9	-66.2	164.1	0	0	0	110.3	P367 Y368 L373 R374 G379 C380 A381	P367-I377 HydrophobicContact CB-CD1 3.74Å; P367-I377 HydrophobicContact CG-CD1 4.2Å; Y368-I377 HydrophobicContact CD2-CD1 4.48Å; Y368-I377 HydrophobicContact CE2-CD1 4.29Å; Y368-I377 HydrophobicContact CE2-CG2 3.94Å; Y368-I377 WeakPolarHBondContact OH-CG2 3.29Å; L373-I377 VanDerWaalsContact O-CG1 3.28Å; L373-I377 WeakPolarHBondContact O-CG1 3.2Å; L373-I377 PolarHBondContact O-N 2.88Å; R374-I377 PolarHBondContact O-N 2.86Å; R374-I377 VanDerWaalsContact O-N 3.16Å; I377-G379 VanDerWaalsContact C-N 3.3Å; I377-G379 PolarHBondContact O-N 3.2Å; I377-C380 WeakPolarHBondContact O-CB 3.34Å; I377-C380 PolarHBondContact O-N 3.36Å; I377-C380 VanDerWaalsContact O-N 3.14Å; I377-A381 WeakPolarHBondContact O-CB 3.45Å; I377-A381 PolarHBondContact O-N 3Å
378	D	78.9	Confident	75.7	Confident	22 Å²	22	79.1 Å²	79.1	12%	0.118	38%	0.382	C	S	.	.	H	α-helix	trans	-62.1	-41.8	178.1	-59.8	-23.5	0	0	0	110.4	V123 Y368 R374 C380 A381 F382	V123-D378 HydrophobicContact CG1-CB 3.93Å; Y368-D378 WeakPolarHBondContact CE1-OD1 3.37Å; R374-D378 VanDerWaalsContact O-CG 3.27Å; R374-D378 PolarHBondContact O-N 3.13Å; D378-C380 VanDerWaalsContact C-N 3.33Å; D378-C380 PolarHBondContact O-N 3.14Å; D378-A381 PolarHBondContact O-N 2.94Å; D378-F382 WeakPolarHBondContact O-CD2 3.49Å; D378-F382 PolarHBondContact O-N 3.46Å
379	G	79.1	Confident	75	Confident	23 Å²	23	76.6 Å²	76.6	24%	0.237	37%	0.374	C	S	.	.	H	α-helix	trans	-56.2	-45	173.5	0	0	0	0	0	112.8	K375 V376 I377 R383	K375-G379 PolarHBondContact O-N 2.94Å; V376-G379 PolarHBondContact O-N 3.16Å; I377-G379 VanDerWaalsContact C-N 3.3Å; I377-G379 PolarHBondContact O-N 3.2Å; G379-R383 VanDerWaalsContact O-CG 3.31Å; G379-R383 WeakPolarHBondContact O-CG 3.28Å; G379-R383 PolarHBondContact O-N 2.84Å
380	C	79.9	Confident	74.1	Confident	69 Å²	69	74.8 Å²	74.8	47%	0.466	37%	0.371	S	S	.	.	H	α-helix	trans	-66.1	-43.4	175.1	-73	0	0	0	0	112	V376 I377 D378 F382 R383 V384	V376-C380 WeakPolarHBondContact O-CB 3.46Å; V376-C380 PolarHBondContact O-N 3.19Å; V376-C380 PolarHBondContact O-SG 3.3Å; I377-C380 WeakPolarHBondContact O-CB 3.34Å; I377-C380 PolarHBondContact O-N 3.36Å; I377-C380 VanDerWaalsContact O-N 3.14Å; D378-C380 VanDerWaalsContact C-N 3.33Å; D378-C380 PolarHBondContact O-N 3.14Å; C380-F382 VanDerWaalsContact C-N 3.34Å; C380-F382 PolarHBondContact O-N 2.86Å; C380-R383 PolarHBondContact O-N 3.11Å; C380-R383 VanDerWaalsContact O-N 3.12Å; C380-V384 WeakPolarHBondContact O-CG2 3.46Å; C380-V384 PolarHBondContact O-N 3.37Å
381	A	78.2	Confident	73.3	Confident	32 Å²	32	78.6 Å²	78.6	26%	0.264	39%	0.385	S	S	.	.	H	α-helix	trans	-59.9	-44.4	177.7	0	0	0	0	0	111.2	I377 D378 R383 V384 Y385	I377-A381 WeakPolarHBondContact O-CB 3.45Å; I377-A381 PolarHBondContact O-N 3Å; D378-A381 PolarHBondContact O-N 2.94Å; A381-R383 PolarHBondContact O-N 3.33Å; A381-V384 PolarHBondContact O-N 3.07Å; A381-Y385 WeakPolarHBondContact O-CA 3.35Å; A381-Y385 WeakPolarHBondContact O-CB 3.5Å; A381-Y385 WeakPolarHBondContact O-CD2 3.42Å; A381-Y385 PolarHBondContact O-N 2.86Å
382	F	74.8	Confident	72.1	Confident	14 Å²	14	77 Å²	77	6%	0.061	39%	0.392	C	S	.	.	H	α-helix	trans	-66.8	-32.5	174.3	-88.9	-89.3	0	0	0	113	T120 V123 D378 C380 G386 V389 L400 F401	T120-F382 HydrophobicContact CG2-CD1 4.25Å; V123-F382 HydrophobicContact CB-CD2 4.26Å; V123-F382 HydrophobicContact CG1-CD2 3.73Å; V123-F382 HydrophobicContact CG1-CE2 3.72Å; V123-F382 HydrophobicContact CG2-CB 3.82Å; V123-F382 HydrophobicContact CG2-CD2 3.59Å; V123-F382 HydrophobicContact CG2-CE2 4.37Å; V123-F382 HydrophobicContact CG2-CG 3.76Å; D378-F382 WeakPolarHBondContact O-CD2 3.49Å; D378-F382 PolarHBondContact O-N 3.46Å; C380-F382 VanDerWaalsContact C-N 3.34Å; C380-F382 PolarHBondContact O-N 2.86Å; F382-G386 WeakPolarHBondContact O-CA 3.49Å; F382-G386 PolarHBondContact O-N 3.06Å; F382-V389 HydrophobicContact CD1-CG2 4.35Å; F382-V389 HydrophobicContact CE1-CG2 3.91Å; F382-L400 HydrophobicContact CD1-CD1 3.91Å; F382-L400 HydrophobicContact CD2-CD1 4.49Å; F382-L400 HydrophobicContact CE1-CD1 3.53Å; F382-L400 HydrophobicContact CE2-CB 4.49Å; F382-L400 HydrophobicContact CE2-CD1 4.14Å; F382-L400 HydrophobicContact CG-CD1 4.38Å; F382-L400 HydrophobicContact CZ-CB 4.3Å; F382-L400 HydrophobicContact CZ-CD1 3.65Å; F382-F401 AromaticContact CE2-CE1 3.95Å; F382-F401 HydrophobicContact CE2-CE1 3.95Å; F382-F401 AromaticContact CE2-CE2 3.73Å; F382-F401 HydrophobicContact CE2-CE2 3.73Å; F382-F401 AromaticContact CE2-CZ 3.31Å; F382-F401 HydrophobicContact CE2-CZ 3.31Å; F382-F401 HydrophobicContact CZ-CD2 4.46Å; F382-F401 AromaticContact CZ-CE2 3.49Å; F382-F401 HydrophobicContact CZ-CE2 3.49Å; F382-F401 VanDerWaalsContact CZ-CE2 3.49Å; F382-F401 AromaticContact CZ-CZ 3.54Å; F382-F401 HydrophobicContact CZ-CZ 3.54Å
383	R	74.3	Confident	70.4	Confident	225 Å²	225	79.1 Å²	79.1	85%	0.849	40%	0.395	S	S	*	.	H	α-helix	trans	-69.6	-35.5	174.3	-74.2	-178.2	72.9	178.1	3.8	112.9	G379 C380 A381	G379-R383 VanDerWaalsContact O-CG 3.31Å; G379-R383 WeakPolarHBondContact O-CG 3.28Å; G379-R383 PolarHBondContact O-N 2.84Å; C380-R383 PolarHBondContact O-N 3.11Å; C380-R383 VanDerWaalsContact O-N 3.12Å; A381-R383 PolarHBondContact O-N 3.33Å
384	V	75	Confident	68.6	Low	85 Å²	85	80.4 Å²	80.4	52%	0.515	42%	0.42	S	S	.	.	H	α-helix	trans	-81.6	-49.2	179.9	176.4	0	0	0	0	110.9	C380 A381 H387	C380-V384 WeakPolarHBondContact O-CG2 3.46Å; C380-V384 PolarHBondContact O-N 3.37Å; A381-V384 PolarHBondContact O-N 3.07Å; V384-H387 PolarHBondContact O-CE1 3.2Å; V384-H387 PolarHBondContact O-ND1 3.33Å
385	Y	74.2	Confident	67.1	Low	128 Å²	128	82.9 Å²	82.9	50%	0.502	43%	0.433	S	S	.	.	H	α-helix	trans	-105.9	1.1	-171.3	-55.6	-70.4	0	0	0	113.9	A381 H387 W388	A381-Y385 WeakPolarHBondContact O-CA 3.35Å; A381-Y385 WeakPolarHBondContact O-CB 3.5Å; A381-Y385 WeakPolarHBondContact O-CD2 3.42Å; A381-Y385 PolarHBondContact O-N 2.86Å; Y385-H387 PolarHBondContact O-N 3.32Å; Y385-H387 VanDerWaalsContact O-N 3.09Å; Y385-W388 VanDerWaalsContact O-CB 3.31Å; Y385-W388 WeakPolarHBondContact O-CB 3.17Å; Y385-W388 PolarHBondContact O-N 3.03Å
386	G	63.4	Low	66.1	Low	16 Å²	16	80.3 Å²	80.3	17%	0.165	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-59.2	-25	-178.7	0	0	0	0	0	113.9	F382 W388 V389	F382-G386 WeakPolarHBondContact O-CA 3.49Å; F382-G386 PolarHBondContact O-N 3.06Å; G386-W388 PolarHBondContact O-N 3.5Å; G386-V389 VanDerWaalsContact O-CB 3.25Å; G386-V389 WeakPolarHBondContact O-CB 3.4Å; G386-V389 PolarHBondContact O-N 3.13Å
387	H	64	Low	65.5	Low	137 Å²	137	76.3 Å²	76.3	63%	0.634	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-65.2	-14.6	172.7	66.2	-82.5	0	0	0	114	V384 Y385	V384-H387 PolarHBondContact O-CE1 3.2Å; V384-H387 PolarHBondContact O-ND1 3.33Å; Y385-H387 PolarHBondContact O-N 3.32Å; Y385-H387 VanDerWaalsContact O-N 3.09Å
388	W	61.1	Low	64.4	Low	149 Å²	149	74 Å²	74	56%	0.564	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-88.5	-6.9	171.5	-63.9	71	0	0	0	112.8	Y385 G386 K390 Q395	Y385-W388 VanDerWaalsContact O-CB 3.31Å; Y385-W388 WeakPolarHBondContact O-CB 3.17Å; Y385-W388 PolarHBondContact O-N 3.03Å; G386-W388 PolarHBondContact O-N 3.5Å; W388-K390 PolarHBondContact O-N 3.24Å; W388-Q395 PolarHBondContact O-OE1 3.24Å
389	V	63	Low	63.5	Low	20 Å²	20	75.3 Å²	75.3	12%	0.121	40%	0.402	C	S	.	.			trans	-81.9	102.9	169	-176.1	0	0	0	0	106.8	F116 F382 G386 R397 L400	F116-V389 HydrophobicContact CE1-CG1 4.28Å; F116-V389 HydrophobicContact CZ-CG1 3.82Å; F382-V389 HydrophobicContact CD1-CG2 4.35Å; F382-V389 HydrophobicContact CE1-CG2 3.91Å; G386-V389 VanDerWaalsContact O-CB 3.25Å; G386-V389 WeakPolarHBondContact O-CB 3.4Å; G386-V389 PolarHBondContact O-N 3.13Å; V389-R397 HydrophobicContact CG1-CB 4.49Å; V389-R397 HydrophobicContact CG1-CG 3.54Å; V389-L400 HydrophobicContact CG2-CD1 3.21Å; V389-L400 HydrophobicContact CG2-CG 4.2Å
390	K	58.5	Low	62.7	Low	125 Å²	125	77 Å²	77	54%	0.543	41%	0.405	S	S	.	.			trans	-99.2	149.4	178	-63.1	-170.7	-178.8	-177.2	0	110.5	W388 G392 Q395	W388-K390 PolarHBondContact O-N 3.24Å; K390-G392 PolarHBondContact O-N 2.83Å; K390-Q395 HydrophobicContact CB-CB 4.19Å; K390-Q395 HydrophobicContact CG-CB 4.41Å; K390-Q395 PolarHBondContact N-O 2.83Å; K390-Q395 VanDerWaalsContact O-O 3.09Å
391	K	59	Low	61.8	Low	109 Å²	109	75.4 Å²	75.4	47%	0.474	39%	0.39	S	S	.	.	S	Bend	trans	-69.3	113.2	164.5	-59.1	-174.5	-178.8	-166.9	0	106.9	E114 F116 D117	E114-K391 IonicContact OE1-NZ 2.98Å; E114-K391 PolarHBondContact OE1-NZ 3.28Å; E114-K391 WeakPolarHBondContact OE2-CE 3.37Å; E114-K391 IonicContact OE2-NZ 3.69Å; E114-K391 PolarHBondContact OE2-NZ 2.8Å; F116-K391 HydrophobicContact CD1-CG 4.48Å; F116-K391 HydrophobicContact CE1-CG 4.24Å; D117-K391 VanDerWaalsContact OD1-CE 3.29Å; D117-K391 WeakPolarHBondContact OD1-CE 3.01Å; D117-K391 IonicContact OD1-NZ 3.29Å; D117-K391 IonicContact OD2-NZ 3.17Å; D117-K391 PolarHBondContact OD2-NZ 3.21Å
392	G	49.5	Very low	60.9	Low	50 Å²	50	76.6 Å²	76.6	52%	0.515	39%	0.39	S	S	.	.	S	Bend	trans	137.6	-177.2	175.4	0	0	0	0	0	116.8	K390 G394	K390-G392 PolarHBondContact O-N 2.83Å; G392-G394 PolarHBondContact O-N 3.16Å
393	E	43	Very low	59.8	Low	149 Å²	149	81.2 Å²	81.2	70%	0.696	42%	0.416	S	S	*	.	S	Bend	trans	-73.5	-23.3	-166.7	-61.6	-170.8	146.7	0	0	114.8	P191	P191-E393 WeakPolarHBondContact CD-OE1 3.04Å; P191-E393 WeakPolarHBondContact CG-OE1 3.21Å
394	G	42.3	Very low	58.7	Low	77 Å²	77	75.4 Å²	75.4	79%	0.794	41%	0.405	S	S	*	.	S	Bend	trans	-91.2	-24.1	-170.6	0	0	0	0	0	116.6	G392	G392-G394 PolarHBondContact O-N 3.16Å
395	Q	50.7	Low	57.2	Low	70 Å²	70	76.4 Å²	76.4	33%	0.327	41%	0.414	S	S	.	.	S	Bend	trans	-143.8	77.1	-174.2	-71	-176.6	-20.9	0	0	111.6	W388 K390	W388-Q395 PolarHBondContact O-OE1 3.24Å; K390-Q395 HydrophobicContact CB-CB 4.19Å; K390-Q395 HydrophobicContact CG-CB 4.41Å; K390-Q395 PolarHBondContact N-O 2.83Å; K390-Q395 VanDerWaalsContact O-O 3.09Å
396	N	56	Low	56.1	Low	46 Å²	46	77.2 Å²	77.2	25%	0.246	42%	0.416	C	S	.	.			trans	-80.1	149.3	178.2	-174.7	-34.9	0	0	0	111.3	A398 A399	N396-A398 PolarHBondContact O-N 2.8Å; N396-A398 PolarHBondContact OD1-N 3.14Å; N396-A399 WeakPolarHBondContact O-CB 3.23Å; N396-A399 PolarHBondContact O-N 2.86Å
397	R	67.3	Low	55.5	Low	3 Å²	3	81.8 Å²	81.8	1%	0.011	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-39.7	-38.1	172.5	-69.4	177.9	61	73.2	4.3	113.8	F116 T120 V123 G229 V389 A399 L400 F401	F116-R397 HydrophobicContact CE2-CG 4.13Å; F116-R397 HydrophobicContact CZ-CG 4.14Å; T120-R397 PolarHBondContact OG1-NH1 2.85Å; V123-R397 PolarHBondContact O-NH2 3.43Å; G229-R397 PolarHBondContact O-NE 3.19Å; G229-R397 PolarHBondContact O-NH2 2.97Å; V389-R397 HydrophobicContact CG1-CB 4.49Å; V389-R397 HydrophobicContact CG1-CG 3.54Å; R397-A399 PolarHBondContact O-N 3.31Å; R397-A399 VanDerWaalsContact O-N 3.15Å; R397-L400 WeakPolarHBondContact O-CB 3.03Å; R397-L400 PolarHBondContact O-N 2.82Å; R397-F401 VanDerWaalsContact O-CD2 3.24Å; R397-F401 WeakPolarHBondContact O-CD2 3.21Å
398	A	60.1	Low	54.7	Low	6 Å²	6	82.5 Å²	82.5	5%	0.05	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-54.3	-29.9	178.6	0	0	0	0	0	114.5	P231 W234 N396 L400 F401 E402	P231-A398 HydrophobicContact CG-CB 4.02Å; W234-A398 HydrophobicContact CB-CB 3.72Å; W234-A398 HydrophobicContact CD2-CB 3.18Å; W234-A398 HydrophobicContact CE3-CB 3.69Å; W234-A398 HydrophobicContact CG-CB 3.17Å; W234-A398 HydrophobicContact CZ2-CB 4.27Å; W234-A398 HydrophobicContact CZ3-CB 4.4Å; N396-A398 PolarHBondContact O-N 2.8Å; N396-A398 PolarHBondContact OD1-N 3.14Å; A398-L400 PolarHBondContact O-N 3.48Å; A398-F401 PolarHBondContact O-N 2.89Å; A398-E402 PolarHBondContact O-N 3.32Å
399	A	61.2	Low	54.1	Low	49 Å²	49	79.2 Å²	79.2	41%	0.405	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-63.2	-27.2	178.1	0	0	0	0	0	113	W234 N396 R397 F401	W234-A399 HydrophobicContact CH2-CB 4.33Å; W234-A399 HydrophobicContact CZ2-CB 4Å; N396-A399 WeakPolarHBondContact O-CB 3.23Å; N396-A399 PolarHBondContact O-N 2.86Å; R397-A399 PolarHBondContact O-N 3.31Å; R397-A399 VanDerWaalsContact O-N 3.15Å; A399-F401 VanDerWaalsContact C-N 3.3Å
400	L	60.4	Low	53.3	Low	57 Å²	57	84.2 Å²	84.2	30%	0.298	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-76.5	-17.5	175.3	-73.9	174.9	0	0	0	113.3	F382 V389 R397 A398	F382-L400 HydrophobicContact CD1-CD1 3.91Å; F382-L400 HydrophobicContact CD2-CD1 4.49Å; F382-L400 HydrophobicContact CE1-CD1 3.53Å; F382-L400 HydrophobicContact CE2-CB 4.49Å; F382-L400 HydrophobicContact CE2-CD1 4.14Å; F382-L400 HydrophobicContact CG-CD1 4.38Å; F382-L400 HydrophobicContact CZ-CB 4.3Å; F382-L400 HydrophobicContact CZ-CD1 3.65Å; V389-L400 HydrophobicContact CG2-CD1 3.21Å; V389-L400 HydrophobicContact CG2-CG 4.2Å; R397-L400 WeakPolarHBondContact O-CB 3.03Å; R397-L400 PolarHBondContact O-N 2.82Å; A398-L400 PolarHBondContact O-N 3.48Å
401	F	61.9	Low	52.9	Low	36 Å²	36	80.5 Å²	80.5	16%	0.158	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-100.6	4.3	-179.6	-61.1	-82.9	0	0	0	112.6	V123 G229 C230 F382 R397 A398 A399 N403	V123-F401 HydrophobicContact CG1-CE1 4.38Å; V123-F401 HydrophobicContact CG1-CZ 4.06Å; G229-F401 WeakPolarHBondContact O-CE2 3.45Å; C230-F401 HydrophobicContact CB-CD2 3.78Å; C230-F401 HydrophobicContact CB-CE2 4.13Å; C230-F401 HydrophobicContact CB-CG 4.24Å; F382-F401 AromaticContact CE2-CE1 3.95Å; F382-F401 HydrophobicContact CE2-CE1 3.95Å; F382-F401 AromaticContact CE2-CE2 3.73Å; F382-F401 HydrophobicContact CE2-CE2 3.73Å; F382-F401 AromaticContact CE2-CZ 3.31Å; F382-F401 HydrophobicContact CE2-CZ 3.31Å; F382-F401 HydrophobicContact CZ-CD2 4.46Å; F382-F401 AromaticContact CZ-CE2 3.49Å; F382-F401 HydrophobicContact CZ-CE2 3.49Å; F382-F401 VanDerWaalsContact CZ-CE2 3.49Å; F382-F401 AromaticContact CZ-CZ 3.54Å; F382-F401 HydrophobicContact CZ-CZ 3.54Å; R397-F401 VanDerWaalsContact O-CD2 3.24Å; R397-F401 WeakPolarHBondContact O-CD2 3.21Å; A398-F401 PolarHBondContact O-N 2.89Å; A399-F401 VanDerWaalsContact C-N 3.3Å; F401-N403 PolarHBondContact O-N 3.23Å; F401-N403 VanDerWaalsContact O-N 3.14Å
402	E	60.1	Low	52.4	Low	57 Å²	57	80 Å²	80	27%	0.266	45%	0.454	S	S	.	.			trans	-72.9	104.1	173.5	-79.9	-170	140.5	0	0	111.2	W234 R236 A398	W234-E402 HydrophobicContact CH2-CG 3.6Å; W234-E402 WeakPolarHBondContact CH2-OE1 3.44Å; W234-E402 HydrophobicContact CZ3-CG 3.37Å; W234-E402 WeakPolarHBondContact CZ3-OE1 3.27Å; R236-E402 IonicContact CZ-OE1 2.83Å; R236-E402 IonicContact CZ-OE2 3.65Å; R236-E402 VanDerWaalsContact NE-CD 3.3Å; R236-E402 IonicContact NE-OE1 3.35Å; R236-E402 PolarHBondContact NE-OE1 2.94Å; R236-E402 IonicContact NE-OE2 3.75Å; R236-E402 PolarHBondContact NE-OE2 3.37Å; R236-E402 IonicContact NH2-OE1 3.04Å; R236-E402 IonicContact NH2-OE2 2.65Å; R236-E402 PolarHBondContact NH2-OE2 2.96Å; A398-E402 PolarHBondContact O-N 3.32Å
403	N	51.8	Low	52.5	Low	112 Å²	112	85 Å²	85	60%	0.599	46%	0.459	S	S	*	.			trans	-90.8	-0	174.8	-67.9	-33.9	0	0	0	113.8	F401 P405	F401-N403 PolarHBondContact O-N 3.23Å; F401-N403 VanDerWaalsContact O-N 3.14Å; N403-P405 WeakPolarHBondContact O-CD 3.3Å
404	T	50	Low	53.4	Low	102 Å²	102	81.5 Å²	81.5	63%	0.626	44%	0.443	S	S	*	.	S	Bend	trans	-80.2	119.5	174.1	32.4	0	0	0	0	110.7	R406	T404-R406 PolarHBondContact O-N 3.48Å
405	P	44.7	Very low	54.2	Low	107 Å²	107	82.7 Å²	82.7	70%	0.695	43%	0.432	S	S	*	.			trans	-54.2	138	174.5	-22	31.7	0	0	0	110.3	N403 T407	N403-P405 WeakPolarHBondContact O-CD 3.3Å; P405-T407 PolarHBondContact O-N 3.25Å
406	R	50	Low	54.3	Low	144 Å²	144	84.5 Å²	84.5	54%	0.543	44%	0.444	S	S	.	.			trans	-64.8	87.8	166.9	-74.5	177.5	171.3	175.3	-4.1	108.1	T404 E408 L409 H410	T404-R406 PolarHBondContact O-N 3.48Å; R406-E408 PolarHBondContact O-N 3.45Å; R406-L409 HydrophobicContact CB-CB 3.8Å; R406-L409 HydrophobicContact CB-CD1 4.35Å; R406-L409 HydrophobicContact CB-CG 4.4Å; R406-L409 HydrophobicContact CG-CD1 4.41Å; R406-L409 PolarHBondContact O-N 2.64Å; R406-H410 PolarHBondContact O-N 3.24Å
407	T	50.3	Low	54.1	Low	113 Å²	113	87.6 Å²	87.6	69%	0.693	46%	0.46	S	S	*	.	H	α-helix	trans	-54.5	-32.4	172.2	39	0	0	0	0	111.1	P405 H410 A411	P405-T407 PolarHBondContact O-N 3.25Å; T407-H410 PolarHBondContact O-N 2.65Å; T407-A411 WeakPolarHBondContact O-CB 3.45Å; T407-A411 PolarHBondContact O-N 2.94Å
408	E	48	Very low	53.3	Low	151 Å²	151	91.8 Å²	91.8	71%	0.706	49%	0.489	S	S	*	.	H	α-helix	trans	-67.1	-37.4	174.5	-68.9	175.7	176.5	0	0	113.6	R406 A411 L412	R406-E408 PolarHBondContact O-N 3.45Å; E408-A411 PolarHBondContact O-N 2.65Å; E408-L412 WeakPolarHBondContact O-CB 3.4Å; E408-L412 PolarHBondContact O-N 3.04Å
409	L	48.4	Very low	52.5	Low	80 Å²	80	104.6 Å²	104.6	42%	0.419	54%	0.536	S	S	.	.	H	α-helix	trans	-76.7	-32.2	175.4	-94.1	172.1	0	0	0	112.4	R406 A411 L412 Y413	R406-L409 HydrophobicContact CB-CB 3.8Å; R406-L409 HydrophobicContact CB-CD1 4.35Å; R406-L409 HydrophobicContact CB-CG 4.4Å; R406-L409 HydrophobicContact CG-CD1 4.41Å; R406-L409 PolarHBondContact O-N 2.64Å; L409-A411 VanDerWaalsContact C-N 3.33Å; L409-L412 PolarHBondContact O-N 3.2Å; L409-Y413 WeakPolarHBondContact O-CB 3.26Å; L409-Y413 PolarHBondContact O-N 3.31Å
410	H	47	Very low	52	Low	126 Å²	126	107.4 Å²	107.4	58%	0.583	54%	0.543	S	S	*	.	H	α-helix	trans	-62	-45.1	170.8	-174	-95.5	0	0	0	110.3	R406 T407 Y413 I414	R406-H410 PolarHBondContact O-N 3.24Å; T407-H410 PolarHBondContact O-N 2.65Å; H410-Y413 PolarHBondContact O-N 3.15Å; H410-I414 VanDerWaalsContact O-CB 3.23Å; H410-I414 WeakPolarHBondContact O-CB 3.47Å; H410-I414 WeakPolarHBondContact O-CG1 3.2Å; H410-I414 PolarHBondContact O-N 3.24Å
411	A	50.1	Low	51.6	Low	47 Å²	47	110 Å²	110	39%	0.388	56%	0.556	S	S	.	*	H	α-helix	trans	-64.3	-42.9	176.5	0	0	0	0	0	113	T407 E408 L409 N415	T407-A411 WeakPolarHBondContact O-CB 3.45Å; T407-A411 PolarHBondContact O-N 2.94Å; E408-A411 PolarHBondContact O-N 2.65Å; L409-A411 VanDerWaalsContact C-N 3.33Å; A411-N415 WeakPolarHBondContact O-CB 3.31Å; A411-N415 VanDerWaalsContact O-CG 3.22Å; A411-N415 PolarHBondContact O-N 3.42Å; A411-N415 PolarHBondContact O-ND2 3.43Å
412	L	48.5	Very low	51	Low	98 Å²	98	114.1 Å²	114.1	51%	0.513	58%	0.578	S	S	.	*	H	α-helix	trans	-66.4	-40.1	175.5	-86.6	156.9	0	0	0	112.7	E408 L409 N416	E408-L412 WeakPolarHBondContact O-CB 3.4Å; E408-L412 PolarHBondContact O-N 3.04Å; L409-L412 PolarHBondContact O-N 3.2Å; L412-N416 VanDerWaalsContact O-CB 3.3Å; L412-N416 WeakPolarHBondContact O-CB 3.39Å; L412-N416 VanDerWaalsContact O-CG 3.22Å; L412-N416 PolarHBondContact O-N 3.01Å; L412-N416 PolarHBondContact O-ND2 3.17Å
413	Y	51.3	Low	50.5	Low	156 Å²	156	117.5 Å²	117.5	61%	0.612	60%	0.596	S	S	*	*	H	α-helix	trans	-69.6	-43.7	178.4	-173.9	-104.4	0	0	0	111.5	L409 H410 N416 L417	L409-Y413 WeakPolarHBondContact O-CB 3.26Å; L409-Y413 PolarHBondContact O-N 3.31Å; H410-Y413 PolarHBondContact O-N 3.15Å; Y413-N416 PolarHBondContact O-N 3.38Å; Y413-L417 HydrophobicContact CD1-CD1 3.62Å; Y413-L417 HydrophobicContact CE1-CD1 3.28Å; Y413-L417 HydrophobicContact CE1-CG 4.34Å; Y413-L417 HydrophobicContact CE2-CD1 4.48Å; Y413-L417 HydrophobicContact CG-CD1 4.36Å; Y413-L417 WeakPolarHBondContact O-CB 3.34Å; Y413-L417 WeakPolarHBondContact O-CG 3.43Å; Y413-L417 PolarHBondContact O-N 3.05Å
414	I	61.1	Low	50.4	Low	74 Å²	74	117.8 Å²	117.8	38%	0.379	60%	0.596	S	S	.	*	H	α-helix	trans	-61.5	-46.1	172.7	-66.5	-86.5	0	0	0	110.2	H410 N416 L417 S418	H410-I414 VanDerWaalsContact O-CB 3.23Å; H410-I414 WeakPolarHBondContact O-CB 3.47Å; H410-I414 WeakPolarHBondContact O-CG1 3.2Å; H410-I414 PolarHBondContact O-N 3.24Å; I414-N416 VanDerWaalsContact C-N 3.3Å; I414-N416 PolarHBondContact O-N 3.12Å; I414-L417 PolarHBondContact O-N 3.1Å; I414-S418 WeakPolarHBondContact O-CB 3.44Å; I414-S418 PolarHBondContact O-N 3.49Å; I414-S418 PolarHBondContact O-OG 3.05Å
415	N	59.9	Low	50.4	Low	103 Å²	103	118.9 Å²	118.9	55%	0.551	59%	0.594	S	S	*	*	H	α-helix	trans	-64.7	-32	178.4	-80.5	-20.7	0	0	0	113.2	A411 S418	A411-N415 WeakPolarHBondContact O-CB 3.31Å; A411-N415 VanDerWaalsContact O-CG 3.22Å; A411-N415 PolarHBondContact O-N 3.42Å; A411-N415 PolarHBondContact O-ND2 3.43Å; N415-S418 PolarHBondContact O-N 3.31Å
416	N	52.3	Low	50.9	Low	108 Å²	108	119.7 Å²	119.7	58%	0.578	59%	0.587	S	S	*	*	H	α-helix	trans	-80.9	-20.7	176.1	-75	-23.7	0	0	0	113.5	L412 Y413 I414 S418	L412-N416 VanDerWaalsContact O-CB 3.3Å; L412-N416 WeakPolarHBondContact O-CB 3.39Å; L412-N416 VanDerWaalsContact O-CG 3.22Å; L412-N416 PolarHBondContact O-N 3.01Å; L412-N416 PolarHBondContact O-ND2 3.17Å; Y413-N416 PolarHBondContact O-N 3.38Å; I414-N416 VanDerWaalsContact C-N 3.3Å; I414-N416 PolarHBondContact O-N 3.12Å; N416-S418 VanDerWaalsContact C-N 3.35Å
417	L	51.6	Low	50.9	Low	111 Å²	111	117.8 Å²	117.8	58%	0.581	59%	0.59	S	S	*	*	H	α-helix	trans	-83.7	-13.8	169.2	-76.7	167.7	0	0	0	112.9	Y413 I414	Y413-L417 HydrophobicContact CD1-CD1 3.62Å; Y413-L417 HydrophobicContact CE1-CD1 3.28Å; Y413-L417 HydrophobicContact CE1-CG 4.34Å; Y413-L417 HydrophobicContact CE2-CD1 4.48Å; Y413-L417 HydrophobicContact CG-CD1 4.36Å; Y413-L417 WeakPolarHBondContact O-CB 3.34Å; Y413-L417 WeakPolarHBondContact O-CG 3.43Å; Y413-L417 PolarHBondContact O-N 3.05Å; I414-L417 PolarHBondContact O-N 3.1Å
418	S	51.4	Low	51	Low	90 Å²	90	118.3 Å²	118.3	63%	0.629	58%	0.581	S	S	*	*			trans	-96.5	5.5	179.5	-50.1	0	0	0	0	113	I414 N415 N416	I414-S418 WeakPolarHBondContact O-CB 3.44Å; I414-S418 PolarHBondContact O-N 3.49Å; I414-S418 PolarHBondContact O-OG 3.05Å; N415-S418 PolarHBondContact O-N 3.31Å; N416-S418 VanDerWaalsContact C-N 3.35Å
419	R	42.3	Very low	51.2	Low	275 Å²	275	115.3 Å²	115.3	100%	1.038	57%	0.57	S	S	*	*			trans	-113.1	0	167	-78.3	-174.4	173.6	-171.9	-1.2	108.3

Retrieved 419 of 419 residues in 298.6 ms (Link to these results)

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