A0A096LUA5_POEFO Loading...

Protein disulfide-isomerase A6

May function as a chaperone that inhibits aggregation of misfolded proteins. Negatively regulates the unfolded protein response (UPR) through binding to UPR sensors such as ERN1, which in turn inactivates ERN1 signaling. May also regulate the UPR via the EIF2AK3 UPR sensor. Plays a role in platelet aggregation and activation by agonists such as convulxin, collagen and thrombin.

AlphaFold DB , UniProt , Accession A0A096LUA5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 440 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.3	Very low	46.2	Very low	246 Å²	246	148.2 Å²	148.2	100%	1.212	86%	0.86	S	S	*	*				0	116.4	0	-76.8	172.4	172.8	0	0	107.3
2	S	41.5	Very low	46.4	Very low	122 Å²	122	145.1 Å²	145.1	85%	0.853	85%	0.853	S	S	*	*			trans	-60.9	159.3	177.8	-52.5	0	0	0	0	112.3
3	P	50.5	Low	46.4	Very low	121 Å²	121	145.3 Å²	145.3	79%	0.786	85%	0.847	S	S	*	*			trans	-123.9	149.7	132.6	28.9	-14.8	0	0	0	112.2
4	L	46.2	Very low	46.3	Very low	156 Å²	156	143.8 Å²	143.8	82%	0.817	84%	0.84	S	S	*	*			trans	-67.9	134.2	-175.3	-70.3	112.9	0	0	0	112.4
5	L	45.9	Very low	46.1	Very low	175 Å²	175	144.2 Å²	144.2	92%	0.916	84%	0.837	S	S	*	*			trans	-96.9	110.5	158.8	-95.8	127.6	0	0	0	108.4	G7	L5-G7 PolarHBondContact O-N 3.26Å
6	F	45.3	Very low	46	Very low	199 Å²	199	140.9 Å²	140.9	87%	0.873	83%	0.825	S	S	*	*			trans	-67.9	107.4	168.5	-101.6	-96.4	0	0	0	109	M8	F6-M8 PolarHBondContact O-N 3.07Å
7	G	45.6	Very low	46.3	Very low	68 Å²	68	140.2 Å²	140.2	70%	0.701	82%	0.822	S	S	*	*			trans	-77.8	113.3	167.4	0	0	0	0	0	109.9	L5 L9	L5-G7 PolarHBondContact O-N 3.26Å; G7-L9 PolarHBondContact O-N 2.61Å; G7-L9 VanDerWaalsContact O-N 3.14Å
8	M	46.6	Very low	46.9	Very low	197 Å²	197	141.4 Å²	141.4	97%	0.97	82%	0.818	S	S	*	*			trans	-70.1	102.8	170	-129.2	-175.3	-82.1	0	0	108.2	F6 G10	F6-M8 PolarHBondContact O-N 3.07Å; M8-G10 PolarHBondContact O-N 3.01Å
9	L	48.6	Very low	48	Very low	164 Å²	164	137.4 Å²	137.4	86%	0.859	80%	0.803	S	S	*	*			trans	-76.8	99.1	173.3	-137.8	90.5	0	0	0	108.2	G7 C11	G7-L9 PolarHBondContact O-N 2.61Å; G7-L9 VanDerWaalsContact O-N 3.14Å; L9-C11 PolarHBondContact O-N 2.86Å; L9-C11 VanDerWaalsContact O-N 3.09Å
10	G	47.3	Very low	49.8	Very low	69 Å²	69	131.7 Å²	131.7	71%	0.711	77%	0.769	S	S	*	*			trans	-70.7	97.2	170.3	0	0	0	0	0	110.1	M8 S12	M8-G10 PolarHBondContact O-N 3.01Å; G10-S12 VanDerWaalsContact C-N 3.33Å; G10-S12 PolarHBondContact O-N 3.44Å
11	C	45.1	Very low	51.8	Low	113 Å²	113	125.7 Å²	125.7	76%	0.764	73%	0.733	S	S	*	*			trans	-72.8	88.2	168.9	-116.9	0	0	0	0	109	L9 L13	L9-C11 PolarHBondContact O-N 2.86Å; L9-C11 VanDerWaalsContact O-N 3.09Å; C11-L13 PolarHBondContact O-N 3.03Å
12	S	48.4	Very low	53.7	Low	111 Å²	111	116.4 Å²	116.4	78%	0.776	69%	0.693	S	S	*	*			trans	-69.4	94.8	165	-63.8	0	0	0	0	108.6	G10 V14	G10-S12 VanDerWaalsContact C-N 3.33Å; G10-S12 PolarHBondContact O-N 3.44Å; S12-V14 PolarHBondContact O-N 3Å
13	L	45.6	Very low	55.5	Low	148 Å²	148	117 Å²	117	78%	0.775	70%	0.697	S	S	*	*			trans	-65.1	96.4	166.9	-108.4	136.8	0	0	0	108.1	C11 L15	C11-L13 PolarHBondContact O-N 3.03Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.21Å
14	V	45.8	Very low	57.2	Low	124 Å²	124	116 Å²	116	75%	0.752	69%	0.693	S	S	*	*			trans	-72.1	94.9	165.9	-174.8	0	0	0	0	106.4	S12 S16	S12-V14 PolarHBondContact O-N 3Å; V14-S16 VanDerWaalsContact C-N 3.27Å; V14-S16 PolarHBondContact O-N 2.76Å
15	L	42.4	Very low	59.3	Low	150 Å²	150	110.4 Å²	110.4	79%	0.785	66%	0.664	S	S	*	*			trans	-67.8	90.6	165.9	-79.4	162.4	0	0	0	107.5	L13 V17	L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.21Å; L15-V17 PolarHBondContact O-N 2.92Å
16	S	45.6	Very low	61.7	Low	92 Å²	92	104.2 Å²	104.2	64%	0.643	63%	0.631	S	S	*	*			trans	-68.9	98.9	168.5	49.2	0	0	0	0	108.5	V14 Q18	V14-S16 VanDerWaalsContact C-N 3.27Å; V14-S16 PolarHBondContact O-N 2.76Å; S16-Q18 PolarHBondContact O-N 2.86Å
17	V	50.4	Low	64.1	Low	129 Å²	129	95.1 Å²	95.1	78%	0.782	59%	0.592	S	S	*	*			trans	-65.4	102.8	167.3	-178.3	0	0	0	0	106.9	L15 A19	L15-V17 PolarHBondContact O-N 2.92Å; V17-A19 PolarHBondContact O-N 2.87Å
18	Q	56.9	Low	66.5	Low	162 Å²	162	94.3 Å²	94.3	76%	0.757	57%	0.571	S	S	*	*			trans	-74.6	106.5	173.2	-80.6	169.5	-42.1	0	0	108.5	S16 M20	S16-Q18 PolarHBondContact O-N 2.86Å; Q18-M20 PolarHBondContact O-N 2.99Å
19	A	69.3	Low	68.8	Low	64 Å²	64	89.8 Å²	89.8	53%	0.529	55%	0.548	S	S	.	.			trans	-61.4	130.7	166	0	0	0	0	0	109	V17 Y21	V17-A19 PolarHBondContact O-N 2.87Å; A19-Y21 WeakPolarHBondContact CB-O 3.18Å; A19-Y21 PolarHBondContact O-N 2.85Å
20	M	83.8	Confident	71.1	Confident	24 Å²	24	82 Å²	82	12%	0.118	51%	0.507	C	S	.	.	S	Bend	trans	-66.5	-29.6	-178.2	-170.8	172.3	-70.2	0	0	111.9	Q18 Y51 C58 Q59 A62 K66	Q18-M20 PolarHBondContact O-N 2.99Å; M20-Y51 HydrophobicContact CB-CD2 4.37Å; M20-Y51 HydrophobicContact CB-CE2 3.66Å; M20-Y51 HydrophobicContact CE-CD2 3.66Å; M20-Y51 HydrophobicContact CE-CE2 3.96Å; M20-Y51 HydrophobicContact CG-CE2 4.35Å; M20-Y51 HydrophobicContact SD-CD2 3.54Å; M20-Y51 VanDerWaalsContact SD-CD2 3.54Å; M20-Y51 HydrophobicContact SD-CE2 3.84Å; M20-Y51 HydrophobicContact SD-CG 4.12Å; M20-C58 HydrophobicContact CE-CB 3.76Å; M20-C58 HydrophobicContact SD-CB 4.04Å; M20-Q59 HydrophobicContact CE-CG 3.94Å; M20-A62 HydrophobicContact CG-CB 3.74Å; M20-A62 HydrophobicContact SD-CB 3.96Å; M20-K66 WeakPolarHBondContact O-CE 3.39Å; M20-K66 PolarHBondContact O-NZ 2.8Å
21	Y	91	Very high	73.3	Confident	5 Å²	5	80.3 Å²	80.3	2%	0.02	48%	0.483	C	S	.	.	S	Bend	trans	-123	146.1	178.2	-56.4	-69.2	0	0	0	109.5	A19 V27 E49 Y51 A62 W65 K66 A80	A19-Y21 WeakPolarHBondContact CB-O 3.18Å; A19-Y21 PolarHBondContact O-N 2.85Å; Y21-V27 HydrophobicContact CD1-CB 3.87Å; Y21-V27 HydrophobicContact CD1-CG1 3.86Å; Y21-V27 HydrophobicContact CD1-CG2 3.85Å; Y21-V27 HydrophobicContact CD2-CG1 4.27Å; Y21-V27 HydrophobicContact CE1-CB 4.47Å; Y21-V27 HydrophobicContact CE1-CG1 4.27Å; Y21-V27 HydrophobicContact CE1-CG2 4.07Å; Y21-V27 HydrophobicContact CG-CB 4.19Å; Y21-V27 HydrophobicContact CG-CG1 3.87Å; Y21-E49 WeakPolarHBondContact CE2-OE2 3.31Å; Y21-E49 VanDerWaalsContact CZ-OE2 3.29Å; Y21-E49 PolarHBondContact OH-OE2 2.94Å; Y21-Y51 AromaticContact CD2-CE1 3.89Å; Y21-Y51 HydrophobicContact CD2-CE1 3.89Å; Y21-Y51 HydrophobicContact CE2-CD1 4.03Å; Y21-Y51 AromaticContact CE2-CE1 3.82Å; Y21-Y51 HydrophobicContact CE2-CE1 3.82Å; Y21-A62 HydrophobicContact CE1-CB 4.28Å; Y21-W65 HydrophobicContact CE1-CB 4.41Å; Y21-W65 AromaticContact CE1-CD1 3.82Å; Y21-W65 AromaticContact CZ-CD1 3.67Å; Y21-K66 HydrophobicContact CD1-CG 4.09Å; Y21-K66 HydrophobicContact CE1-CG 4.03Å; Y21-A80 HydrophobicContact CD2-CB 3.4Å; Y21-A80 HydrophobicContact CE2-CB 3.39Å; Y21-A80 HydrophobicContact CG-CB 4.27Å
22	S	85.8	Confident	75.6	Confident	51 Å²	51	78.1 Å²	78.1	36%	0.357	47%	0.467	S	S	.	.			trans	-126.9	164	-176.2	66.6	0	0	0	0	110.7	S24 D25	S22-S24 PolarHBondContact O-N 3.26Å; S22-S24 PolarHBondContact OG-OG 2.69Å; S22-D25 PolarHBondContact N-OD2 3.47Å; S22-D25 WeakPolarHBondContact O-CB 3.45Å; S22-D25 PolarHBondContact O-N 2.97Å; S22-D25 PolarHBondContact OG-OD2 2.91Å
23	S	80.8	Confident	77.7	Confident	134 Å²	134	78.1 Å²	78.1	94%	0.937	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-14	177.5	60.4	0	0	0	0	114.5
24	S	84.3	Confident	80.1	Confident	102 Å²	102	72.4 Å²	72.4	71%	0.713	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-12.4	173.1	46.6	0	0	0	0	113.8	S22	S22-S24 PolarHBondContact O-N 3.26Å; S22-S24 PolarHBondContact OG-OG 2.69Å
25	D	91.1	Very high	82.4	Confident	38 Å²	38	66.8 Å²	66.8	20%	0.203	40%	0.403	C	S	.	.	S	Bend	trans	-83	152.9	174.3	-59	-59.3	0	0	0	110.1	S22 V27 K66	S22-D25 PolarHBondContact N-OD2 3.47Å; S22-D25 WeakPolarHBondContact O-CB 3.45Å; S22-D25 PolarHBondContact O-N 2.97Å; S22-D25 PolarHBondContact OG-OD2 2.91Å; D25-V27 HydrophobicContact CB-CB 4.45Å; D25-V27 PolarHBondContact O-N 2.9Å; D25-K66 HydrophobicContact CB-CG 4.43Å; D25-K66 VanDerWaalsContact CG-NZ 3.3Å; D25-K66 WeakPolarHBondContact OD1-CD 3.37Å; D25-K66 IonicContact OD1-NZ 3.36Å; D25-K66 PolarHBondContact OD1-NZ 3.41Å; D25-K66 VanDerWaalsContact OD1-NZ 3.13Å; D25-K66 WeakPolarHBondContact OD2-CE 3.22Å; D25-K66 IonicContact OD2-NZ 3.13Å; D25-K66 PolarHBondContact OD2-NZ 2.84Å
26	D	95.5	Very high	84.8	Confident	44 Å²	44	63.9 Å²	63.9	24%	0.235	39%	0.388	C	S	.	.	S	Bend	trans	-77.3	6.9	172.7	-68.4	-56.3	0	0	0	113.1	A69 T70 K73	D26-A69 HydrophobicContact CB-CB 4Å; D26-T70 VanDerWaalsContact OD2-CA 3.28Å; D26-T70 WeakPolarHBondContact OD2-CA 3.25Å; D26-T70 VanDerWaalsContact OD2-CB 3.31Å; D26-T70 WeakPolarHBondContact OD2-CB 3.27Å; D26-T70 PolarHBondContact OD2-OG1 3.46Å; D26-K73 VanDerWaalsContact OD1-CD 3.32Å; D26-K73 WeakPolarHBondContact OD1-CD 3.43Å; D26-K73 WeakPolarHBondContact OD1-CE 3.41Å; D26-K73 IonicContact OD1-NZ 2.81Å; D26-K73 PolarHBondContact OD1-NZ 3.05Å
27	V	96.9	Very high	87.1	Confident	8 Å²	8	67 Å²	67	5%	0.048	39%	0.386	C	S	.	.	S	Bend	trans	-89.1	121.2	176.9	-177.9	0	0	0	0	109.2	Y21 D25 E29 K66 A69 A80	Y21-V27 HydrophobicContact CD1-CB 3.87Å; Y21-V27 HydrophobicContact CD1-CG1 3.86Å; Y21-V27 HydrophobicContact CD1-CG2 3.85Å; Y21-V27 HydrophobicContact CD2-CG1 4.27Å; Y21-V27 HydrophobicContact CE1-CB 4.47Å; Y21-V27 HydrophobicContact CE1-CG1 4.27Å; Y21-V27 HydrophobicContact CE1-CG2 4.07Å; Y21-V27 HydrophobicContact CG-CB 4.19Å; Y21-V27 HydrophobicContact CG-CG1 3.87Å; D25-V27 HydrophobicContact CB-CB 4.45Å; D25-V27 PolarHBondContact O-N 2.9Å; V27-E29 PolarHBondContact O-N 3.49Å; V27-K66 HydrophobicContact CG2-CG 4.23Å; V27-A69 HydrophobicContact CG2-CB 3.57Å; V27-A80 HydrophobicContact CG1-CB 3.72Å
28	I	95.9	Very high	89.2	Confident	52 Å²	52	63.6 Å²	63.6	27%	0.267	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120.4	180	-58.5	167.8	0	0	0	109.5	L30 W46 K77 V78 G79 A80	I28-L30 HydrophobicContact CG2-CD2 4.18Å; I28-L30 PolarHBondContact O-N 3.35Å; I28-W46 HydrophobicContact CB-CH2 4.22Å; I28-W46 HydrophobicContact CB-CZ3 4.19Å; I28-W46 HydrophobicContact CD1-CH2 3.5Å; I28-W46 VanDerWaalsContact CD1-CH2 3.5Å; I28-W46 HydrophobicContact CD1-CZ2 4.31Å; I28-W46 HydrophobicContact CD1-CZ3 3.99Å; I28-W46 HydrophobicContact CG1-CH2 4.45Å; I28-W46 HydrophobicContact CG2-CH2 4.13Å; I28-W46 HydrophobicContact CG2-CZ3 4.44Å; I28-K77 HydrophobicContact CD1-CD 4.04Å; I28-V78 PolarHBondContact N-O 3.12Å; I28-G79 CarbonylContact O-C 3.6Å; I28-G79 WeakPolarHBondContact O-CA 3.36Å; I28-A80 PolarHBondContact O-N 3.31Å
29	E	95.2	Very high	91	Very high	102 Å²	102	55.9 Å²	55.9	48%	0.477	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	123	173.7	-170.3	174.7	-167.4	0	0	110.7	V27 N34	V27-E29 PolarHBondContact O-N 3.49Å; E29-N34 PolarHBondContact O-ND2 3.28Å
30	L	96.1	Very high	92.1	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	31%	0.309	C	S	.	.			trans	-112.9	125.6	-175.5	-67.5	173.6	0	0	0	110.2	I28 N34 F35 E38 V39 W46 V48 A80 V81	I28-L30 HydrophobicContact CG2-CD2 4.18Å; I28-L30 PolarHBondContact O-N 3.35Å; L30-N34 WeakPolarHBondContact CA-OD1 3.43Å; L30-F35 HydrophobicContact CB-CD2 4.05Å; L30-F35 HydrophobicContact CD1-CD2 4.17Å; L30-F35 HydrophobicContact CD1-CE2 4.09Å; L30-E38 HydrophobicContact CD2-CB 3.82Å; L30-E38 HydrophobicContact CD2-CG 4.26Å; L30-V39 HydrophobicContact CD1-CG2 3.63Å; L30-V39 HydrophobicContact CD2-CG2 3.89Å; L30-V39 HydrophobicContact CG-CG2 4.42Å; L30-W46 HydrophobicContact CD1-CE3 4.2Å; L30-W46 HydrophobicContact CD1-CZ3 3.9Å; L30-W46 HydrophobicContact CD2-CH2 4.16Å; L30-W46 HydrophobicContact CD2-CZ3 4.02Å; L30-W46 HydrophobicContact CG-CZ3 4.31Å; L30-V48 HydrophobicContact CD1-CB 4.49Å; L30-V48 HydrophobicContact CD1-CG1 3.92Å; L30-V48 HydrophobicContact CD1-CG2 3.79Å; L30-A80 PolarHBondContact N-O 3.23Å; L30-V81 HydrophobicContact CB-CG2 3.58Å; L30-V81 HydrophobicContact CD1-CG2 4.34Å
31	T	94.4	Very high	92.4	Very high	32 Å²	32	59.8 Å²	59.8	20%	0.196	33%	0.333	C	S	.	.			trans	-125.2	164.7	179.7	71.4	0	0	0	0	109.7	S33 N34 F35	T31-S33 PolarHBondContact O-N 3.27Å; T31-S33 PolarHBondContact OG1-N 2.81Å; T31-S33 PolarHBondContact OG1-OG 3.35Å; T31-N34 PolarHBondContact N-OD1 3.46Å; T31-N34 PolarHBondContact O-N 3.02Å; T31-N34 PolarHBondContact O-OD1 3.07Å; T31-F35 WeakPolarHBondContact O-CB 3.4Å; T31-F35 PolarHBondContact O-N 3.12Å
32	P	93.3	Very high	92.4	Very high	67 Å²	67	60.8 Å²	60.8	44%	0.435	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-29.2	176	-28.9	36.1	0	0	0	114.2	H86 L89	P32-H86 VanDerWaalsContact CD-CG 3.46Å; P32-H86 WeakPolarHBondContact CD-ND1 3.35Å; P32-H86 HydrophobicContact CG-CB 4.01Å; P32-L89 HydrophobicContact CG-CB 4.46Å; P32-L89 HydrophobicContact CG-CD2 4.31Å
33	S	92.8	Very high	92.5	Very high	111 Å²	111	64.8 Å²	64.8	78%	0.776	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-26.4	-179.8	67.5	0	0	0	0	114.9	T31	T31-S33 PolarHBondContact O-N 3.27Å; T31-S33 PolarHBondContact OG1-N 2.81Å; T31-S33 PolarHBondContact OG1-OG 3.35Å
34	N	94.5	Very high	93	Very high	29 Å²	29	60.5 Å²	60.5	16%	0.155	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-19.7	-176.2	73.9	3	0	0	0	113.2	E29 L30 T31 N36 R37 E38	E29-N34 PolarHBondContact O-ND2 3.28Å; L30-N34 WeakPolarHBondContact CA-OD1 3.43Å; T31-N34 PolarHBondContact N-OD1 3.46Å; T31-N34 PolarHBondContact O-N 3.02Å; T31-N34 PolarHBondContact O-OD1 3.07Å; N34-N36 VanDerWaalsContact C-N 3.3Å; N34-N36 PolarHBondContact O-N 3.22Å; N34-R37 PolarHBondContact O-N 3.2Å; N34-E38 HydrophobicContact CB-CG 4.03Å; N34-E38 WeakPolarHBondContact O-CG 3.29Å; N34-E38 PolarHBondContact O-N 3.19Å
35	F	95.2	Very high	93.6	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.022	30%	0.295	C	S	.	.	H	α-helix	trans	-53.8	-44.2	-172.2	-165.5	-81.7	0	0	0	113.2	L30 T31 V39 I40 V48 F50 V81 L89 Y93 F104	L30-F35 HydrophobicContact CB-CD2 4.05Å; L30-F35 HydrophobicContact CD1-CD2 4.17Å; L30-F35 HydrophobicContact CD1-CE2 4.09Å; T31-F35 WeakPolarHBondContact O-CB 3.4Å; T31-F35 PolarHBondContact O-N 3.12Å; F35-V39 HydrophobicContact CD1-CB 4.14Å; F35-V39 HydrophobicContact CD1-CG2 4.36Å; F35-V39 HydrophobicContact CD2-CG2 4.17Å; F35-V39 HydrophobicContact CE1-CB 3.89Å; F35-V39 HydrophobicContact CE1-CG1 4.02Å; F35-V39 HydrophobicContact CE1-CG2 4.22Å; F35-V39 HydrophobicContact CE2-CG2 4.05Å; F35-V39 HydrophobicContact CG-CG2 4.32Å; F35-V39 HydrophobicContact CZ-CB 4.14Å; F35-V39 HydrophobicContact CZ-CG1 4.06Å; F35-V39 HydrophobicContact CZ-CG2 4.07Å; F35-V39 WeakPolarHBondContact O-CA 3.36Å; F35-V39 VanDerWaalsContact O-CB 3.29Å; F35-V39 WeakPolarHBondContact O-CB 3.42Å; F35-V39 PolarHBondContact O-N 3.26Å; F35-I40 HydrophobicContact CD1-CD1 4.45Å; F35-I40 HydrophobicContact CD1-CG1 4.11Å; F35-I40 HydrophobicContact CE1-CD1 3.99Å; F35-I40 HydrophobicContact CE1-CG1 4.16Å; F35-I40 PolarHBondContact O-N 3.16Å; F35-V48 HydrophobicContact CE2-CG1 4.17Å; F35-F50 HydrophobicContact CE2-CZ 4.38Å; F35-F50 HydrophobicContact CZ-CZ 4.47Å; F35-V81 HydrophobicContact CD2-CG2 4.04Å; F35-V81 HydrophobicContact CE2-CG2 3.9Å; F35-L89 HydrophobicContact CB-CD1 4.44Å; F35-L89 HydrophobicContact CB-CD2 4.21Å; F35-L89 HydrophobicContact CD1-CD1 4.23Å; F35-L89 HydrophobicContact CD2-CD1 4.23Å; F35-L89 HydrophobicContact CD2-CD2 3.78Å; F35-L89 HydrophobicContact CD2-CG 4.41Å; F35-L89 HydrophobicContact CE2-CD2 4.45Å; F35-L89 HydrophobicContact CG-CD1 4.04Å; F35-L89 HydrophobicContact CG-CD2 4.12Å; F35-Y93 HydrophobicContact CD1-CE2 4.47Å; F35-Y93 AromaticContact CE1-CE2 3.72Å; F35-Y93 HydrophobicContact CE1-CE2 3.72Å; F35-Y93 AromaticContact CE1-CZ 3.75Å; F35-Y93 VanDerWaalsContact CE1-OH 3.27Å; F35-Y93 WeakPolarHBondContact CE1-OH 3.37Å; F35-Y93 AromaticContact CZ-CE2 3.8Å; F35-Y93 HydrophobicContact CZ-CE2 3.8Å; F35-F104 HydrophobicContact CE1-CE1 4.07Å; F35-F104 HydrophobicContact CE1-CZ 4.12Å; F35-F104 AromaticContact CZ-CE1 3.98Å; F35-F104 HydrophobicContact CZ-CE1 3.98Å; F35-F104 HydrophobicContact CZ-CE2 4.09Å; F35-F104 AromaticContact CZ-CZ 3.58Å; F35-F104 HydrophobicContact CZ-CZ 3.58Å
36	N	91.9	Very high	93.9	Very high	89 Å²	89	54.1 Å²	54.1	48%	0.476	29%	0.286	S	S	.	.	I	π-helix	trans	-62.8	-45.5	-180	-173.1	43.6	0	0	0	111.8	N34 I40 Q41	N34-N36 VanDerWaalsContact C-N 3.3Å; N34-N36 PolarHBondContact O-N 3.22Å; N36-I40 WeakPolarHBondContact O-CB 3.13Å; N36-I40 PolarHBondContact O-N 3.18Å; N36-I40 VanDerWaalsContact O-N 3.15Å; N36-I40 WeakPolarHBondContact OD1-CB 3.44Å; N36-I40 WeakPolarHBondContact OD1-CG2 3.3Å; N36-Q41 WeakPolarHBondContact O-CG 3.4Å; N36-Q41 PolarHBondContact O-N 3.03Å
37	R	94.6	Very high	94	Very high	159 Å²	159	52 Å²	52	60%	0.6	28%	0.275	S	S	*	.	I	π-helix	trans	-69.1	-47.4	-180	-175.8	-177.5	67.9	-159.1	-1.6	111.7	N34	N34-R37 PolarHBondContact O-N 3.2Å
38	E	94.1	Very high	94	Very high	56 Å²	56	51.6 Å²	51.6	26%	0.262	27%	0.273	S	S	.	.	I	π-helix	trans	-74.9	-42.4	-173.9	-59.9	-55.6	147.3	0	0	111.9	L30 N34 S42 W46	L30-E38 HydrophobicContact CD2-CB 3.82Å; L30-E38 HydrophobicContact CD2-CG 4.26Å; N34-E38 HydrophobicContact CB-CG 4.03Å; N34-E38 WeakPolarHBondContact O-CG 3.29Å; N34-E38 PolarHBondContact O-N 3.19Å; E38-S42 WeakPolarHBondContact O-CB 3.45Å; E38-W46 HydrophobicContact CB-CH2 3.91Å; E38-W46 HydrophobicContact CB-CZ2 3.9Å; E38-W46 WeakPolarHBondContact O-CZ2 3.1Å; E38-W46 PolarHBondContact O-NE1 3.23Å
39	V	95.2	Very high	94.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	I	π-helix	trans	-102.1	-54.3	-172	-173.7	0	0	0	0	112.1	L30 F35 S42 W46 V48 F104 K108	L30-V39 HydrophobicContact CD1-CG2 3.63Å; L30-V39 HydrophobicContact CD2-CG2 3.89Å; L30-V39 HydrophobicContact CG-CG2 4.42Å; F35-V39 HydrophobicContact CD1-CB 4.14Å; F35-V39 HydrophobicContact CD1-CG2 4.36Å; F35-V39 HydrophobicContact CD2-CG2 4.17Å; F35-V39 HydrophobicContact CE1-CB 3.89Å; F35-V39 HydrophobicContact CE1-CG1 4.02Å; F35-V39 HydrophobicContact CE1-CG2 4.22Å; F35-V39 HydrophobicContact CE2-CG2 4.05Å; F35-V39 HydrophobicContact CG-CG2 4.32Å; F35-V39 HydrophobicContact CZ-CB 4.14Å; F35-V39 HydrophobicContact CZ-CG1 4.06Å; F35-V39 HydrophobicContact CZ-CG2 4.07Å; F35-V39 WeakPolarHBondContact O-CA 3.36Å; F35-V39 VanDerWaalsContact O-CB 3.29Å; F35-V39 WeakPolarHBondContact O-CB 3.42Å; F35-V39 PolarHBondContact O-N 3.26Å; V39-S42 PolarHBondContact O-N 3.31Å; V39-W46 HydrophobicContact CB-CD2 4.42Å; V39-W46 HydrophobicContact CB-CG 4.46Å; V39-W46 HydrophobicContact CG1-CB 4Å; V39-W46 HydrophobicContact CG1-CD2 4.4Å; V39-W46 HydrophobicContact CG1-CG 4.01Å; V39-W46 HydrophobicContact CG2-CD2 3.91Å; V39-W46 HydrophobicContact CG2-CE3 3.88Å; V39-W46 HydrophobicContact CG2-CG 4.38Å; V39-W46 HydrophobicContact CG2-CH2 4.48Å; V39-W46 HydrophobicContact CG2-CZ3 4.17Å; V39-V48 HydrophobicContact CG2-CG2 4.4Å; V39-F104 HydrophobicContact CG1-CB 3.94Å; V39-F104 HydrophobicContact CG1-CD1 3.65Å; V39-F104 HydrophobicContact CG1-CD2 4.08Å; V39-F104 HydrophobicContact CG1-CE1 4.15Å; V39-F104 HydrophobicContact CG1-CG 3.63Å; V39-K108 VanDerWaalsContact O-CD 3.31Å; V39-K108 WeakPolarHBondContact O-CD 3.4Å; V39-K108 WeakPolarHBondContact O-CE 3.2Å
40	I	91.7	Very high	94.3	Very high	36 Å²	36	44.3 Å²	44.3	19%	0.185	24%	0.237	C	C	.	.	I	π-helix	trans	-74.5	-39.6	-169.2	-57.3	-58.5	0	0	0	112.2	F35 N36 S42 F104 K108	F35-I40 HydrophobicContact CD1-CD1 4.45Å; F35-I40 HydrophobicContact CD1-CG1 4.11Å; F35-I40 HydrophobicContact CE1-CD1 3.99Å; F35-I40 HydrophobicContact CE1-CG1 4.16Å; F35-I40 PolarHBondContact O-N 3.16Å; N36-I40 WeakPolarHBondContact O-CB 3.13Å; N36-I40 PolarHBondContact O-N 3.18Å; N36-I40 VanDerWaalsContact O-N 3.15Å; N36-I40 WeakPolarHBondContact OD1-CB 3.44Å; N36-I40 WeakPolarHBondContact OD1-CG2 3.3Å; I40-S42 VanDerWaalsContact C-N 3.26Å; I40-S42 PolarHBondContact O-N 3.44Å; I40-F104 HydrophobicContact CD1-CD1 4.34Å; I40-F104 HydrophobicContact CD1-CE1 4.21Å; I40-K108 HydrophobicContact CD1-CB 3.95Å; I40-K108 HydrophobicContact CG2-CB 4.34Å; I40-K108 WeakPolarHBondContact O-CG 3.35Å
41	Q	89.4	Confident	94.3	Very high	134 Å²	134	44.5 Å²	44.5	63%	0.626	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	2.1	178.2	-66.4	179.2	-22.2	0	0	113.2	N36	N36-Q41 WeakPolarHBondContact O-CG 3.4Å; N36-Q41 PolarHBondContact O-N 3.03Å
42	S	90.9	Very high	94.3	Very high	27 Å²	27	43 Å²	43	19%	0.189	23%	0.229	C	C	.	.			trans	-92	135.1	-174.9	-178	0	0	0	0	113	E38 V39 I40 S44 W46 K108	E38-S42 WeakPolarHBondContact O-CB 3.45Å; V39-S42 PolarHBondContact O-N 3.31Å; I40-S42 VanDerWaalsContact C-N 3.26Å; I40-S42 PolarHBondContact O-N 3.44Å; S42-S44 PolarHBondContact O-N 2.63Å; S42-S44 WeakPolarHBondContact OG-CB 3.49Å; S42-S44 PolarHBondContact OG-N 3.1Å; S42-S44 VanDerWaalsContact OG-N 3.07Å; S42-W46 PolarHBondContact OG-NE1 2.97Å; S42-K108 WeakPolarHBondContact O-CE 3.36Å
43	D	88.1	Confident	94.2	Very high	135 Å²	135	41.6 Å²	41.6	72%	0.722	22%	0.22	S	C	*	.	S	Bend	trans	-77.5	0.7	168.8	-64	-39	0	0	0	112.8	R138	D43-R138 PolarHBondContact O-NH1 3.4Å; D43-R138 PolarHBondContact O-NH2 2.83Å
44	S	92.2	Very high	94	Very high	44 Å²	44	44.3 Å²	44.3	31%	0.308	21%	0.213	S	C	.	.	S	Bend	trans	-84	154.4	177.3	-62.2	0	0	0	0	111.2	S42 K108	S42-S44 PolarHBondContact O-N 2.63Å; S42-S44 WeakPolarHBondContact OG-CB 3.49Å; S42-S44 PolarHBondContact OG-N 3.1Å; S42-S44 VanDerWaalsContact OG-N 3.07Å; S44-K108 WeakPolarHBondContact O-CE 3.25Å; S44-K108 PolarHBondContact O-NZ 3.28Å
45	L	95.9	Very high	94	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	21%	0.21	C	C	.	.			trans	-68.4	136.2	161.3	-175	75.1	0	0	0	108.5	L47 V76 K77 V103 A127 A130 L131 L134	L45-L47 HydrophobicContact CD2-CD1 4.18Å; L45-L47 HydrophobicContact CG-CD1 4.48Å; L45-V76 HydrophobicContact CB-CG1 4.07Å; L45-V76 HydrophobicContact CB-CG2 4.47Å; L45-V76 HydrophobicContact CD2-CG1 3.77Å; L45-V76 HydrophobicContact CD2-CG2 3.89Å; L45-V76 HydrophobicContact CG-CG1 4Å; L45-V76 WeakPolarHBondContact O-CG1 3.35Å; L45-K77 PolarHBondContact O-N 2.63Å; L45-V103 HydrophobicContact CD1-CG1 3.83Å; L45-V103 HydrophobicContact CG-CG1 4.4Å; L45-A127 WeakPolarHBondContact CD2-O 3.49Å; L45-A130 HydrophobicContact CD1-CB 4.13Å; L45-A130 HydrophobicContact CD2-CB 3.65Å; L45-L131 HydrophobicContact CB-CD1 4.32Å; L45-L131 HydrophobicContact CD2-CB 3.96Å; L45-L134 HydrophobicContact CB-CD2 3.74Å; L45-L134 HydrophobicContact CD1-CD2 4.18Å
46	W	97.8	Very high	93.8	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.3	177.7	-84.6	87	0	0	0	111.5	I28 L30 E38 V39 S42 V48 K77 V103 F104	I28-W46 HydrophobicContact CB-CH2 4.22Å; I28-W46 HydrophobicContact CB-CZ3 4.19Å; I28-W46 HydrophobicContact CD1-CH2 3.5Å; I28-W46 VanDerWaalsContact CD1-CH2 3.5Å; I28-W46 HydrophobicContact CD1-CZ2 4.31Å; I28-W46 HydrophobicContact CD1-CZ3 3.99Å; I28-W46 HydrophobicContact CG1-CH2 4.45Å; I28-W46 HydrophobicContact CG2-CH2 4.13Å; I28-W46 HydrophobicContact CG2-CZ3 4.44Å; L30-W46 HydrophobicContact CD1-CE3 4.2Å; L30-W46 HydrophobicContact CD1-CZ3 3.9Å; L30-W46 HydrophobicContact CD2-CH2 4.16Å; L30-W46 HydrophobicContact CD2-CZ3 4.02Å; L30-W46 HydrophobicContact CG-CZ3 4.31Å; E38-W46 HydrophobicContact CB-CH2 3.91Å; E38-W46 HydrophobicContact CB-CZ2 3.9Å; E38-W46 WeakPolarHBondContact O-CZ2 3.1Å; E38-W46 PolarHBondContact O-NE1 3.23Å; V39-W46 HydrophobicContact CB-CD2 4.42Å; V39-W46 HydrophobicContact CB-CG 4.46Å; V39-W46 HydrophobicContact CG1-CB 4Å; V39-W46 HydrophobicContact CG1-CD2 4.4Å; V39-W46 HydrophobicContact CG1-CG 4.01Å; V39-W46 HydrophobicContact CG2-CD2 3.91Å; V39-W46 HydrophobicContact CG2-CE3 3.88Å; V39-W46 HydrophobicContact CG2-CG 4.38Å; V39-W46 HydrophobicContact CG2-CH2 4.48Å; V39-W46 HydrophobicContact CG2-CZ3 4.17Å; S42-W46 PolarHBondContact OG-NE1 2.97Å; W46-V48 HydrophobicContact CB-CG2 4.4Å; W46-V48 HydrophobicContact CE3-CG2 4.32Å; W46-K77 CarbonylContact C-O 3.54Å; W46-K77 WeakPolarHBondContact CA-O 3.37Å; W46-K77 HydrophobicContact CD2-CB 3.35Å; W46-K77 HydrophobicContact CD2-CG 4.25Å; W46-K77 HydrophobicContact CE3-CB 3.67Å; W46-K77 HydrophobicContact CG-CB 3.85Å; W46-K77 HydrophobicContact CH2-CB 4.03Å; W46-K77 HydrophobicContact CZ2-CB 3.71Å; W46-K77 HydrophobicContact CZ2-CD 4.34Å; W46-K77 HydrophobicContact CZ2-CG 3.9Å; W46-K77 HydrophobicContact CZ3-CB 3.99Å; W46-V103 WeakPolarHBondContact O-CA 3.44Å; W46-F104 HydrophobicContact CB-CB 3.83Å; W46-F104 PolarHBondContact N-O 2.89Å; W46-F104 PolarHBondContact O-N 3.27Å
47	L	97.6	Very high	93.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.7	164.4	-94.2	76	0	0	0	107.9	L45 W65 V76 K77 V78 G79 V103 I123 A127	L45-L47 HydrophobicContact CD2-CD1 4.18Å; L45-L47 HydrophobicContact CG-CD1 4.48Å; L47-W65 HydrophobicContact CB-CH2 3.94Å; L47-W65 HydrophobicContact CB-CZ2 4.32Å; L47-W65 HydrophobicContact CD2-CH2 4.2Å; L47-V76 HydrophobicContact CD1-CG1 3.72Å; L47-K77 PolarHBondContact N-O 2.97Å; L47-V78 CarbonylContact O-C 3.59Å; L47-V78 WeakPolarHBondContact O-CA 3.42Å; L47-G79 PolarHBondContact O-N 3.29Å; L47-V103 HydrophobicContact CD1-CG1 4.14Å; L47-V103 HydrophobicContact CD1-CG2 4.34Å; L47-V103 HydrophobicContact CG-CG2 4.18Å; L47-I123 HydrophobicContact CD2-CG2 3.92Å; L47-A127 HydrophobicContact CD1-CB 3.77Å; L47-A127 HydrophobicContact CD2-CB 3.87Å
48	V	98.1	Very high	93.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.2	-176.6	-178.4	0	0	0	0	110	L30 F35 V39 W46 F50 G79 V81 I101 K102 F104	L30-V48 HydrophobicContact CD1-CB 4.49Å; L30-V48 HydrophobicContact CD1-CG1 3.92Å; L30-V48 HydrophobicContact CD1-CG2 3.79Å; F35-V48 HydrophobicContact CE2-CG1 4.17Å; V39-V48 HydrophobicContact CG2-CG2 4.4Å; W46-V48 HydrophobicContact CB-CG2 4.4Å; W46-V48 HydrophobicContact CE3-CG2 4.32Å; V48-F50 HydrophobicContact CB-CE2 4.21Å; V48-F50 HydrophobicContact CG1-CD2 4.21Å; V48-F50 HydrophobicContact CG1-CE2 3.74Å; V48-F50 HydrophobicContact CG1-CZ 3.99Å; V48-G79 WeakPolarHBondContact CA-O 3.42Å; V48-V81 HydrophobicContact CG1-CG2 3.75Å; V48-I101 CarbonylContact O-C 3.58Å; V48-I101 WeakPolarHBondContact O-CA 3.31Å; V48-K102 PolarHBondContact N-O 3.13Å; V48-K102 PolarHBondContact O-N 3.28Å; V48-F104 HydrophobicContact CB-CD2 4.24Å; V48-F104 HydrophobicContact CB-CE2 3.93Å; V48-F104 HydrophobicContact CG2-CD2 3.77Å; V48-F104 HydrophobicContact CG2-CE2 3.8Å
49	E	98.1	Very high	93.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.7	168.5	-175.1	-166.1	-166.9	0	0	110.2	Y21 L61 W65 G79 A80 V81 P99 I101	Y21-E49 WeakPolarHBondContact CE2-OE2 3.31Å; Y21-E49 VanDerWaalsContact CZ-OE2 3.29Å; Y21-E49 PolarHBondContact OH-OE2 2.94Å; E49-L61 HydrophobicContact CG-CD2 4.29Å; E49-L61 VanDerWaalsContact OE1-CD2 3.28Å; E49-L61 WeakPolarHBondContact OE1-CD2 3.24Å; E49-W65 HydrophobicContact CB-CD2 4.28Å; E49-W65 HydrophobicContact CB-CH2 4.34Å; E49-W65 HydrophobicContact CB-CZ2 3.68Å; E49-G79 PolarHBondContact N-O 2.85Å; E49-A80 CarbonylContact O-C 3.57Å; E49-A80 WeakPolarHBondContact O-CA 3.43Å; E49-V81 PolarHBondContact O-N 3.28Å; E49-P99 HydrophobicContact CG-CB 4.2Å; E49-P99 WeakPolarHBondContact OE1-CB 3.15Å; E49-I101 HydrophobicContact CB-CG1 4.38Å; E49-I101 HydrophobicContact CG-CG1 4.38Å
50	F	97.8	Very high	93.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.9	166.7	-64.7	-96.3	0	0	0	108.2	F35 V48 V81 A83 Y93 V95 P99 T100 K102	F35-F50 HydrophobicContact CE2-CZ 4.38Å; F35-F50 HydrophobicContact CZ-CZ 4.47Å; V48-F50 HydrophobicContact CB-CE2 4.21Å; V48-F50 HydrophobicContact CG1-CD2 4.21Å; V48-F50 HydrophobicContact CG1-CE2 3.74Å; V48-F50 HydrophobicContact CG1-CZ 3.99Å; F50-V81 WeakPolarHBondContact CA-O 3.32Å; F50-V81 HydrophobicContact CD1-CB 3.8Å; F50-V81 HydrophobicContact CD1-CG1 3.92Å; F50-V81 HydrophobicContact CD1-CG2 4.28Å; F50-V81 HydrophobicContact CE1-CB 4.04Å; F50-V81 HydrophobicContact CE1-CG1 4.09Å; F50-V81 HydrophobicContact CE1-CG2 4.03Å; F50-V81 HydrophobicContact CG-CB 4.47Å; F50-A83 HydrophobicContact CB-CB 4.09Å; F50-A83 HydrophobicContact CD1-CB 4.19Å; F50-Y93 HydrophobicContact CE1-CD2 4.09Å; F50-Y93 AromaticContact CZ-CD2 3.7Å; F50-Y93 HydrophobicContact CZ-CD2 3.7Å; F50-Y93 HydrophobicContact CZ-CE2 4.44Å; F50-Y93 HydrophobicContact CZ-CG 4.27Å; F50-V95 HydrophobicContact CB-CG1 4.07Å; F50-V95 HydrophobicContact CB-CG2 3.86Å; F50-V95 HydrophobicContact CD1-CG2 3.95Å; F50-V95 HydrophobicContact CD2-CG2 3.98Å; F50-V95 HydrophobicContact CE1-CG2 4.48Å; F50-V95 HydrophobicContact CG-CG2 3.66Å; F50-P99 WeakPolarHBondContact O-CA 3.35Å; F50-T100 PolarHBondContact N-O 3.47Å; F50-T100 PolarHBondContact O-N 2.89Å; F50-K102 HydrophobicContact CD2-CG 4.07Å; F50-K102 HydrophobicContact CE2-CB 4Å; F50-K102 HydrophobicContact CE2-CG 3.68Å
51	Y	96.8	Very high	93.9	Very high	6 Å²	6	46.6 Å²	46.6	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	174.2	-170.7	79.2	-86.4	0	0	0	112.4	M20 Y21 P53 A80 V81 D82 A83	M20-Y51 HydrophobicContact CB-CD2 4.37Å; M20-Y51 HydrophobicContact CB-CE2 3.66Å; M20-Y51 HydrophobicContact CE-CD2 3.66Å; M20-Y51 HydrophobicContact CE-CE2 3.96Å; M20-Y51 HydrophobicContact CG-CE2 4.35Å; M20-Y51 HydrophobicContact SD-CD2 3.54Å; M20-Y51 VanDerWaalsContact SD-CD2 3.54Å; M20-Y51 HydrophobicContact SD-CE2 3.84Å; M20-Y51 HydrophobicContact SD-CG 4.12Å; Y21-Y51 AromaticContact CD2-CE1 3.89Å; Y21-Y51 HydrophobicContact CD2-CE1 3.89Å; Y21-Y51 HydrophobicContact CE2-CD1 4.03Å; Y21-Y51 AromaticContact CE2-CE1 3.82Å; Y21-Y51 HydrophobicContact CE2-CE1 3.82Å; Y51-P53 HydrophobicContact CE2-CG 4.16Å; Y51-A80 HydrophobicContact CD1-CB 4.06Å; Y51-A80 HydrophobicContact CE1-CB 3.83Å; Y51-V81 VanDerWaalsContact CD1-O 3.23Å; Y51-V81 WeakPolarHBondContact CD1-O 3.45Å; Y51-V81 PolarHBondContact N-O 3.45Å; Y51-D82 HydrophobicContact CE1-CB 4.25Å; Y51-D82 HydrophobicContact CE2-CB 4.43Å; Y51-A83 PolarHBondContact O-N 3.35Å
52	A	94	Very high	94.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.			trans	-133.9	137.4	167.5	0	0	0	0	0	110	W54 C55 D84 F98	A52-W54 VanDerWaalsContact C-N 3.26Å; A52-W54 HydrophobicContact CB-CD2 4.28Å; A52-W54 HydrophobicContact CB-CZ2 3.99Å; A52-W54 PolarHBondContact O-N 3.49Å; A52-C55 HydrophobicContact CB-CB 4.21Å; A52-C55 WeakPolarHBondContact O-CB 3.4Å; A52-C55 PolarHBondContact O-N 3.39Å; A52-D84 HydrophobicContact CB-CB 3.74Å; A52-F98 HydrophobicContact CB-CD2 3.54Å; A52-F98 HydrophobicContact CB-CE2 3.79Å; A52-F98 HydrophobicContact CB-CG 4.12Å
53	P	91.2	Very high	94.5	Very high	38 Å²	38	42.5 Å²	42.5	25%	0.247	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.3	-174	-26.2	34.2	0	0	0	114.8	Y51 C55 Q59 D82	Y51-P53 HydrophobicContact CE2-CG 4.16Å; P53-C55 VanDerWaalsContact C-N 3.34Å; P53-Q59 PolarHBondContact O-NE2 3.39Å; P53-D82 WeakPolarHBondContact CD-OD2 3.3Å; P53-D82 WeakPolarHBondContact CG-OD2 3.47Å
54	W	89.9	Confident	94.8	Very high	167 Å²	167	38.2 Å²	38.2	63%	0.633	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.4	179.7	54.5	-100.3	0	0	0	113.8	A52 G56 D84 F98	A52-W54 VanDerWaalsContact C-N 3.26Å; A52-W54 HydrophobicContact CB-CD2 4.28Å; A52-W54 HydrophobicContact CB-CZ2 3.99Å; A52-W54 PolarHBondContact O-N 3.49Å; W54-G56 PolarHBondContact O-N 2.87Å; W54-D84 PolarHBondContact NE1-OD2 3.25Å; W54-F98 HydrophobicContact CH2-CD2 4.49Å; W54-F98 HydrophobicContact CZ2-CD2 4.42Å; W54-F98 HydrophobicContact CZ2-CE2 4.4Å
55	C	93.1	Very high	95.1	Very high	15 Å²	15	36.1 Å²	36.1	10%	0.101	19%	0.187	C	C	.	.			trans	-82.6	114.7	-175.1	178.5	0	0	0	0	111.4	A52 P53 H57 C58 Q59 F98	A52-C55 HydrophobicContact CB-CB 4.21Å; A52-C55 WeakPolarHBondContact O-CB 3.4Å; A52-C55 PolarHBondContact O-N 3.39Å; P53-C55 VanDerWaalsContact C-N 3.34Å; C55-H57 VanDerWaalsContact C-N 3.27Å; C55-H57 PolarHBondContact O-N 2.98Å; C55-C58 HydrophobicContact CB-CB 3.96Å; C55-C58 WeakPolarHBondContact CB-SG 3.47Å; C55-C58 WeakPolarHBondContact O-CA 3.02Å; C55-C58 WeakPolarHBondContact O-CB 3.33Å; C55-C58 PolarHBondContact O-N 3.02Å; C55-C58 PolarHBondContact SG-SG 3.06Å; C55-Q59 PolarHBondContact O-N 3.33Å; C55-F98 HydrophobicContact CB-CB 4.42Å
56	G	91.2	Very high	95.2	Very high	36 Å²	36	38.8 Å²	38.8	37%	0.371	20%	0.198	S	C	.	.	H	α-helix	trans	-58.4	-33.8	179.2	0	0	0	0	0	114.2	W54 C58 Q59 N60	W54-G56 PolarHBondContact O-N 2.87Å; G56-C58 VanDerWaalsContact C-N 3.34Å; G56-C58 PolarHBondContact O-N 2.96Å; G56-Q59 PolarHBondContact O-N 3.04Å; G56-N60 WeakPolarHBondContact O-CB 3.45Å; G56-N60 VanDerWaalsContact O-CG 3.25Å; G56-N60 PolarHBondContact O-N 2.79Å; G56-N60 PolarHBondContact O-ND2 3.23Å
57	H	91.4	Very high	95.1	Very high	137 Å²	137	44.1 Å²	44.1	63%	0.634	22%	0.222	S	C	*	.	H	α-helix	trans	-68.4	-33	174.6	-65.9	176	0	0	0	112.7	C55 L61 P99	C55-H57 VanDerWaalsContact C-N 3.27Å; C55-H57 PolarHBondContact O-N 2.98Å; H57-L61 WeakPolarHBondContact O-CB 3.28Å; H57-L61 PolarHBondContact O-N 2.73Å; H57-L61 VanDerWaalsContact O-N 3.08Å; H57-P99 HydrophobicContact CB-CG 4.47Å
58	C	95.2	Very high	95	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.3	-43.2	174.2	-59.1	0	0	0	0	110.5	M20 C55 G56 N60 L61 A62	M20-C58 HydrophobicContact CE-CB 3.76Å; M20-C58 HydrophobicContact SD-CB 4.04Å; C55-C58 HydrophobicContact CB-CB 3.96Å; C55-C58 WeakPolarHBondContact CB-SG 3.47Å; C55-C58 WeakPolarHBondContact O-CA 3.02Å; C55-C58 WeakPolarHBondContact O-CB 3.33Å; C55-C58 PolarHBondContact O-N 3.02Å; C55-C58 PolarHBondContact SG-SG 3.06Å; G56-C58 VanDerWaalsContact C-N 3.34Å; G56-C58 PolarHBondContact O-N 2.96Å; C58-N60 VanDerWaalsContact C-N 3.28Å; C58-N60 PolarHBondContact O-N 3.14Å; C58-L61 PolarHBondContact O-N 2.85Å; C58-L61 VanDerWaalsContact O-N 3.08Å; C58-A62 PolarHBondContact O-N 2.9Å
59	Q	94.1	Very high	94.9	Very high	106 Å²	106	44.2 Å²	44.2	50%	0.495	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-39.2	175.2	-66.2	173.7	-6.1	0	0	112	M20 P53 C55 G56 P63	M20-Q59 HydrophobicContact CE-CG 3.94Å; P53-Q59 PolarHBondContact O-NE2 3.39Å; C55-Q59 PolarHBondContact O-N 3.33Å; G56-Q59 PolarHBondContact O-N 3.04Å; Q59-P63 VanDerWaalsContact O-CD 3.29Å; Q59-P63 WeakPolarHBondContact O-CD 3.32Å
60	N	93.1	Very high	94.9	Very high	123 Å²	123	48 Å²	48	66%	0.658	25%	0.246	S	C	*	.	H	α-helix	trans	-69.5	-32	175.1	-71.9	-17.7	0	0	0	113.2	G56 C58 P63	G56-N60 WeakPolarHBondContact O-CB 3.45Å; G56-N60 VanDerWaalsContact O-CG 3.25Å; G56-N60 PolarHBondContact O-N 2.79Å; G56-N60 PolarHBondContact O-ND2 3.23Å; C58-N60 VanDerWaalsContact C-N 3.28Å; C58-N60 PolarHBondContact O-N 3.14Å; N60-P63 WeakPolarHBondContact O-CD 3.43Å
61	L	95.7	Very high	94.6	Very high	6 Å²	6	51 Å²	51	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-77.2	-34.6	178	175.8	57.6	0	0	0	112.1	E49 H57 C58 P63 E64 W65 P99 I101 R118 I123	E49-L61 HydrophobicContact CG-CD2 4.29Å; E49-L61 VanDerWaalsContact OE1-CD2 3.28Å; E49-L61 WeakPolarHBondContact OE1-CD2 3.24Å; H57-L61 WeakPolarHBondContact O-CB 3.28Å; H57-L61 PolarHBondContact O-N 2.73Å; H57-L61 VanDerWaalsContact O-N 3.08Å; C58-L61 PolarHBondContact O-N 2.85Å; C58-L61 VanDerWaalsContact O-N 3.08Å; L61-P63 VanDerWaalsContact C-CD 3.5Å; L61-E64 CarbonylContact O-C 3.54Å; L61-E64 WeakPolarHBondContact O-CA 3.45Å; L61-E64 PolarHBondContact O-N 3.23Å; L61-W65 HydrophobicContact CD1-CE3 4.46Å; L61-W65 HydrophobicContact CG-CB 4.36Å; L61-W65 PolarHBondContact O-N 3.46Å; L61-P99 HydrophobicContact CB-CG 4.48Å; L61-P99 HydrophobicContact CD2-CB 3.75Å; L61-P99 HydrophobicContact CD2-CG 3.67Å; L61-I101 HydrophobicContact CD2-CD1 4.07Å; L61-R118 HydrophobicContact CD1-CB 4.16Å; L61-R118 WeakPolarHBondContact CD1-O 3.14Å; L61-I123 HydrophobicContact CD1-CD1 3.88Å
62	A	96.6	Very high	94.6	Very high	9 Å²	9	50.8 Å²	50.8	7%	0.074	27%	0.27	C	S	.	.	H	α-helix	trans	-45.4	-48.6	-176.7	0	0	0	0	0	115.5	M20 Y21 C58 E64 W65 K66	M20-A62 HydrophobicContact CG-CB 3.74Å; M20-A62 HydrophobicContact SD-CB 3.96Å; Y21-A62 HydrophobicContact CE1-CB 4.28Å; C58-A62 PolarHBondContact O-N 2.9Å; A62-E64 PolarHBondContact O-N 2.87Å; A62-W65 PolarHBondContact O-N 3.46Å; A62-K66 VanDerWaalsContact O-CG 3.26Å; A62-K66 WeakPolarHBondContact O-CG 3.48Å; A62-K66 PolarHBondContact O-N 2.83Å
63	P	96.1	Very high	94.6	Very high	66 Å²	66	57.5 Å²	57.5	43%	0.429	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-37.4	177.9	24.5	-34.5	0	0	0	113.1	Q59 N60 L61 K67	Q59-P63 VanDerWaalsContact O-CD 3.29Å; Q59-P63 WeakPolarHBondContact O-CD 3.32Å; N60-P63 WeakPolarHBondContact O-CD 3.43Å; L61-P63 VanDerWaalsContact C-CD 3.5Å; P63-K67 WeakPolarHBondContact O-CG 3.43Å; P63-K67 PolarHBondContact O-N 2.84Å
64	E	96.1	Very high	94.5	Very high	45 Å²	45	59.6 Å²	59.6	21%	0.21	33%	0.328	C	S	.	.	H	α-helix	trans	-74.2	-35.2	178.4	-64	-61.6	113.8	0	0	111.5	L61 A62 K67 A68 S120	L61-E64 CarbonylContact O-C 3.54Å; L61-E64 WeakPolarHBondContact O-CA 3.45Å; L61-E64 PolarHBondContact O-N 3.23Å; A62-E64 PolarHBondContact O-N 2.87Å; E64-K67 PolarHBondContact O-N 2.78Å; E64-K67 IonicContact OE1-NZ 3.14Å; E64-K67 PolarHBondContact OE1-NZ 3.17Å; E64-A68 WeakPolarHBondContact O-CB 3.26Å; E64-A68 PolarHBondContact O-N 3.46Å; E64-S120 WeakPolarHBondContact O-CB 3.45Å; E64-S120 WeakPolarHBondContact OE2-CB 3.32Å; E64-S120 PolarHBondContact OE2-N 3.14Å; E64-S120 PolarHBondContact OE2-OG 2.9Å
65	W	97.5	Very high	94.7	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.3	-44.1	174.5	-162.3	-115.2	0	0	0	111.7	Y21 L47 E49 L61 A62 A68 A69 V78 G79 I101 I123	Y21-W65 HydrophobicContact CE1-CB 4.41Å; Y21-W65 AromaticContact CE1-CD1 3.82Å; Y21-W65 AromaticContact CZ-CD1 3.67Å; L47-W65 HydrophobicContact CB-CH2 3.94Å; L47-W65 HydrophobicContact CB-CZ2 4.32Å; L47-W65 HydrophobicContact CD2-CH2 4.2Å; E49-W65 HydrophobicContact CB-CD2 4.28Å; E49-W65 HydrophobicContact CB-CH2 4.34Å; E49-W65 HydrophobicContact CB-CZ2 3.68Å; L61-W65 HydrophobicContact CD1-CE3 4.46Å; L61-W65 HydrophobicContact CG-CB 4.36Å; L61-W65 PolarHBondContact O-N 3.46Å; A62-W65 PolarHBondContact O-N 3.46Å; W65-A68 PolarHBondContact O-N 3.24Å; W65-A69 WeakPolarHBondContact O-CB 3.49Å; W65-A69 PolarHBondContact O-N 3.48Å; W65-V78 HydrophobicContact CD2-CG1 4.18Å; W65-V78 VanDerWaalsContact CE2-CG1 3.44Å; W65-V78 HydrophobicContact CH2-CG1 4.32Å; W65-V78 HydrophobicContact CZ2-CG1 3.54Å; W65-G79 PolarHBondContact NE1-O 2.88Å; W65-I101 HydrophobicContact CE3-CD1 4.1Å; W65-I101 HydrophobicContact CH2-CB 4.45Å; W65-I101 HydrophobicContact CH2-CD1 4.04Å; W65-I101 HydrophobicContact CH2-CG1 3.99Å; W65-I101 HydrophobicContact CH2-CG2 3.59Å; W65-I101 HydrophobicContact CZ3-CD1 3.46Å; W65-I101 VanDerWaalsContact CZ3-CD1 3.46Å; W65-I101 HydrophobicContact CZ3-CG1 3.92Å; W65-I101 HydrophobicContact CZ3-CG2 4.06Å; W65-I123 HydrophobicContact CE3-CD1 3.86Å; W65-I123 HydrophobicContact CE3-CG2 4.1Å; W65-I123 HydrophobicContact CZ3-CD1 4.17Å; W65-I123 HydrophobicContact CZ3-CG1 4.33Å; W65-I123 HydrophobicContact CZ3-CG2 3.66Å
66	K	97.4	Very high	94.7	Very high	58 Å²	58	55.5 Å²	55.5	25%	0.252	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-47.9	174.2	-70.8	173.4	-173.2	-138.3	0	111.9	M20 Y21 D25 V27 A62 A68 A69 T70	M20-K66 WeakPolarHBondContact O-CE 3.39Å; M20-K66 PolarHBondContact O-NZ 2.8Å; Y21-K66 HydrophobicContact CD1-CG 4.09Å; Y21-K66 HydrophobicContact CE1-CG 4.03Å; D25-K66 HydrophobicContact CB-CG 4.43Å; D25-K66 VanDerWaalsContact CG-NZ 3.3Å; D25-K66 WeakPolarHBondContact OD1-CD 3.37Å; D25-K66 IonicContact OD1-NZ 3.36Å; D25-K66 PolarHBondContact OD1-NZ 3.41Å; D25-K66 VanDerWaalsContact OD1-NZ 3.13Å; D25-K66 WeakPolarHBondContact OD2-CE 3.22Å; D25-K66 IonicContact OD2-NZ 3.13Å; D25-K66 PolarHBondContact OD2-NZ 2.84Å; V27-K66 HydrophobicContact CG2-CG 4.23Å; A62-K66 VanDerWaalsContact O-CG 3.26Å; A62-K66 WeakPolarHBondContact O-CG 3.48Å; A62-K66 PolarHBondContact O-N 2.83Å; K66-A68 VanDerWaalsContact C-N 3.33Å; K66-A68 PolarHBondContact O-N 3.16Å; K66-A69 PolarHBondContact O-N 2.88Å; K66-T70 PolarHBondContact O-N 2.53Å; K66-T70 PolarHBondContact O-OG1 3.2Å
67	K	95.6	Very high	95	Very high	115 Å²	115	58.1 Å²	58.1	50%	0.5	32%	0.317	S	S	.	.	H	α-helix	trans	-58.3	-44.7	175.6	-72.8	173.2	-170.1	168.3	0	112	P63 E64 T70 A71	P63-K67 WeakPolarHBondContact O-CG 3.43Å; P63-K67 PolarHBondContact O-N 2.84Å; E64-K67 PolarHBondContact O-N 2.78Å; E64-K67 IonicContact OE1-NZ 3.14Å; E64-K67 PolarHBondContact OE1-NZ 3.17Å; K67-T70 PolarHBondContact O-N 2.99Å; K67-A71 WeakPolarHBondContact O-CB 3.19Å; K67-A71 PolarHBondContact O-N 3.24Å
68	A	95.6	Very high	95.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-41.9	177.9	0	0	0	0	0	111.8	E64 W65 K66 T70 A71 L72 I123 V124	E64-A68 WeakPolarHBondContact O-CB 3.26Å; E64-A68 PolarHBondContact O-N 3.46Å; W65-A68 PolarHBondContact O-N 3.24Å; K66-A68 VanDerWaalsContact C-N 3.33Å; K66-A68 PolarHBondContact O-N 3.16Å; A68-T70 PolarHBondContact O-N 3.03Å; A68-A71 PolarHBondContact O-N 3.18Å; A68-L72 WeakPolarHBondContact O-CB 3.26Å; A68-L72 VanDerWaalsContact O-CG 3.29Å; A68-L72 WeakPolarHBondContact O-CG 3.42Å; A68-L72 PolarHBondContact O-N 3.32Å; A68-I123 HydrophobicContact CB-CB 4.05Å; A68-I123 HydrophobicContact CB-CG2 3.65Å; A68-V124 HydrophobicContact CB-CG2 4.12Å
69	A	97.6	Very high	95.5	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.017	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-44.2	175.8	0	0	0	0	0	112.3	D26 V27 W65 K66 L72 K73 V78	D26-A69 HydrophobicContact CB-CB 4Å; V27-A69 HydrophobicContact CG2-CB 3.57Å; W65-A69 WeakPolarHBondContact O-CB 3.49Å; W65-A69 PolarHBondContact O-N 3.48Å; K66-A69 PolarHBondContact O-N 2.88Å; A69-L72 PolarHBondContact O-N 3.23Å; A69-K73 PolarHBondContact O-N 3.5Å; A69-K73 VanDerWaalsContact O-N 3.12Å; A69-V78 HydrophobicContact CB-CB 3.81Å; A69-V78 HydrophobicContact CB-CG1 3.86Å; A69-V78 HydrophobicContact CB-CG2 4.26Å
70	T	96.8	Very high	95.7	Very high	80 Å²	80	46.8 Å²	46.8	49%	0.491	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-43.8	175.4	-61.6	0	0	0	0	112.1	D26 K66 K67 A68 L72 K73	D26-T70 VanDerWaalsContact OD2-CA 3.28Å; D26-T70 WeakPolarHBondContact OD2-CA 3.25Å; D26-T70 VanDerWaalsContact OD2-CB 3.31Å; D26-T70 WeakPolarHBondContact OD2-CB 3.27Å; D26-T70 PolarHBondContact OD2-OG1 3.46Å; K66-T70 PolarHBondContact O-N 2.53Å; K66-T70 PolarHBondContact O-OG1 3.2Å; K67-T70 PolarHBondContact O-N 2.99Å; A68-T70 PolarHBondContact O-N 3.03Å; T70-L72 VanDerWaalsContact C-N 3.31Å; T70-L72 PolarHBondContact O-N 2.97Å; T70-K73 VanDerWaalsContact O-CB 3.27Å; T70-K73 WeakPolarHBondContact O-CB 3.08Å; T70-K73 PolarHBondContact O-N 3.23Å
71	A	92.6	Very high	95.9	Very high	63 Å²	63	40.9 Å²	40.9	52%	0.521	23%	0.234	S	C	.	.	H	α-helix	trans	-66	-32.5	179	0	0	0	0	0	113.1	K67 A68 V124	K67-A71 WeakPolarHBondContact O-CB 3.19Å; K67-A71 PolarHBondContact O-N 3.24Å; A68-A71 PolarHBondContact O-N 3.18Å; A71-V124 HydrophobicContact CB-CG2 3.93Å
72	L	95.3	Very high	95.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	1	-179.7	-68.5	169.3	0	0	0	113.5	A68 A69 T70 G74 I75 V76 V78 V124 A127 M128	A68-L72 WeakPolarHBondContact O-CB 3.26Å; A68-L72 VanDerWaalsContact O-CG 3.29Å; A68-L72 WeakPolarHBondContact O-CG 3.42Å; A68-L72 PolarHBondContact O-N 3.32Å; A69-L72 PolarHBondContact O-N 3.23Å; T70-L72 VanDerWaalsContact C-N 3.31Å; T70-L72 PolarHBondContact O-N 2.97Å; L72-G74 PolarHBondContact O-N 2.87Å; L72-I75 WeakPolarHBondContact O-CA 3.48Å; L72-I75 WeakPolarHBondContact O-CB 3.41Å; L72-I75 PolarHBondContact O-N 2.92Å; L72-V76 HydrophobicContact CB-CB 4.23Å; L72-V76 HydrophobicContact CD1-CB 4.4Å; L72-V76 HydrophobicContact CD2-CB 4.3Å; L72-V76 HydrophobicContact CD2-CG2 4.25Å; L72-V76 PolarHBondContact O-N 3.49Å; L72-V78 HydrophobicContact CB-CG2 4.28Å; L72-V78 HydrophobicContact CD1-CG2 3.92Å; L72-V124 HydrophobicContact CD1-CG2 4.39Å; L72-V124 HydrophobicContact CD2-CG1 4.19Å; L72-V124 HydrophobicContact CD2-CG2 4.5Å; L72-V124 HydrophobicContact CG-CG2 4.13Å; L72-A127 HydrophobicContact CD1-CB 3.51Å; L72-A127 HydrophobicContact CD2-CB 3.93Å; L72-A127 HydrophobicContact CG-CB 4.39Å; L72-M128 HydrophobicContact CD2-SD 4.27Å
73	K	94.3	Very high	95.8	Very high	141 Å²	141	41.3 Å²	41.3	61%	0.613	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	123.4	-175.7	-171.8	177.1	-170.5	156.2	0	111.2	D26 A69 T70 I75	D26-K73 VanDerWaalsContact OD1-CD 3.32Å; D26-K73 WeakPolarHBondContact OD1-CD 3.43Å; D26-K73 WeakPolarHBondContact OD1-CE 3.41Å; D26-K73 IonicContact OD1-NZ 2.81Å; D26-K73 PolarHBondContact OD1-NZ 3.05Å; A69-K73 PolarHBondContact O-N 3.5Å; A69-K73 VanDerWaalsContact O-N 3.12Å; T70-K73 VanDerWaalsContact O-CB 3.27Å; T70-K73 WeakPolarHBondContact O-CB 3.08Å; T70-K73 PolarHBondContact O-N 3.23Å; K73-I75 VanDerWaalsContact C-N 3.26Å; K73-I75 PolarHBondContact O-N 3.01Å
74	G	90.7	Very high	95.6	Very high	82 Å²	82	40.8 Å²	40.8	85%	0.845	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-6.7	-178.1	0	0	0	0	0	115.2	L72	L72-G74 PolarHBondContact O-N 2.87Å
75	I	92.1	Very high	95.4	Very high	90 Å²	90	45 Å²	45	46%	0.462	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-52.3	-179.7	-52.3	175.5	0	0	0	110.3	L72 K73 M128 L131	L72-I75 WeakPolarHBondContact O-CA 3.48Å; L72-I75 WeakPolarHBondContact O-CB 3.41Å; L72-I75 PolarHBondContact O-N 2.92Å; K73-I75 VanDerWaalsContact C-N 3.26Å; K73-I75 PolarHBondContact O-N 3.01Å; I75-M128 HydrophobicContact CG2-SD 4.03Å; I75-L131 HydrophobicContact CG2-CD2 3.5Å; I75-L131 VanDerWaalsContact CG2-CD2 3.5Å
76	V	95.1	Very high	95.2	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.036	26%	0.257	C	S	.	.	S	Bend	trans	-132.8	139.1	178.9	-180	0	0	0	0	108.8	L45 L47 L72 A127 L131	L45-V76 HydrophobicContact CB-CG1 4.07Å; L45-V76 HydrophobicContact CB-CG2 4.47Å; L45-V76 HydrophobicContact CD2-CG1 3.77Å; L45-V76 HydrophobicContact CD2-CG2 3.89Å; L45-V76 HydrophobicContact CG-CG1 4Å; L45-V76 WeakPolarHBondContact O-CG1 3.35Å; L47-V76 HydrophobicContact CD1-CG1 3.72Å; L72-V76 HydrophobicContact CB-CB 4.23Å; L72-V76 HydrophobicContact CD1-CB 4.4Å; L72-V76 HydrophobicContact CD2-CB 4.3Å; L72-V76 HydrophobicContact CD2-CG2 4.25Å; L72-V76 PolarHBondContact O-N 3.49Å; V76-A127 HydrophobicContact CG1-CB 4.34Å; V76-A127 HydrophobicContact CG2-CB 4.31Å; V76-L131 HydrophobicContact CG2-CB 4.35Å; V76-L131 HydrophobicContact CG2-CD2 4.12Å
77	K	97.5	Very high	94.8	Very high	90 Å²	90	51 Å²	51	39%	0.391	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.5	177.1	-64.7	-69.5	-175.9	173.1	0	109.5	I28 L45 W46 L47	I28-K77 HydrophobicContact CD1-CD 4.04Å; L45-K77 PolarHBondContact O-N 2.63Å; W46-K77 CarbonylContact C-O 3.54Å; W46-K77 WeakPolarHBondContact CA-O 3.37Å; W46-K77 HydrophobicContact CD2-CB 3.35Å; W46-K77 HydrophobicContact CD2-CG 4.25Å; W46-K77 HydrophobicContact CE3-CB 3.67Å; W46-K77 HydrophobicContact CG-CB 3.85Å; W46-K77 HydrophobicContact CH2-CB 4.03Å; W46-K77 HydrophobicContact CZ2-CB 3.71Å; W46-K77 HydrophobicContact CZ2-CD 4.34Å; W46-K77 HydrophobicContact CZ2-CG 3.9Å; W46-K77 HydrophobicContact CZ3-CB 3.99Å; L47-K77 PolarHBondContact N-O 2.97Å
78	V	98.1	Very high	94.4	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.024	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.1	179.7	-176.2	0	0	0	0	108.1	I28 L47 W65 A69 L72	I28-V78 PolarHBondContact N-O 3.12Å; L47-V78 CarbonylContact O-C 3.59Å; L47-V78 WeakPolarHBondContact O-CA 3.42Å; W65-V78 HydrophobicContact CD2-CG1 4.18Å; W65-V78 VanDerWaalsContact CE2-CG1 3.44Å; W65-V78 HydrophobicContact CH2-CG1 4.32Å; W65-V78 HydrophobicContact CZ2-CG1 3.54Å; A69-V78 HydrophobicContact CB-CB 3.81Å; A69-V78 HydrophobicContact CB-CG1 3.86Å; A69-V78 HydrophobicContact CB-CG2 4.26Å; L72-V78 HydrophobicContact CB-CG2 4.28Å; L72-V78 HydrophobicContact CD1-CG2 3.92Å
79	G	97.6	Very high	94.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	167	-179.3	0	0	0	0	0	113.1	I28 L47 V48 E49 W65	I28-G79 CarbonylContact O-C 3.6Å; I28-G79 WeakPolarHBondContact O-CA 3.36Å; L47-G79 PolarHBondContact O-N 3.29Å; V48-G79 WeakPolarHBondContact CA-O 3.42Å; E49-G79 PolarHBondContact N-O 2.85Å; W65-G79 PolarHBondContact NE1-O 2.88Å
80	A	97.7	Very high	93.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.9	178.5	0	0	0	0	0	110.7	Y21 V27 I28 L30 E49 Y51	Y21-A80 HydrophobicContact CD2-CB 3.4Å; Y21-A80 HydrophobicContact CE2-CB 3.39Å; Y21-A80 HydrophobicContact CG-CB 4.27Å; V27-A80 HydrophobicContact CG1-CB 3.72Å; I28-A80 PolarHBondContact O-N 3.31Å; L30-A80 PolarHBondContact N-O 3.23Å; E49-A80 CarbonylContact O-C 3.57Å; E49-A80 WeakPolarHBondContact O-CA 3.43Å; Y51-A80 HydrophobicContact CD1-CB 4.06Å; Y51-A80 HydrophobicContact CE1-CB 3.83Å
81	V	97.3	Very high	93.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.4	177.3	177.7	0	0	0	0	108	L30 F35 V48 E49 F50 Y51 A83 L89	L30-V81 HydrophobicContact CB-CG2 3.58Å; L30-V81 HydrophobicContact CD1-CG2 4.34Å; F35-V81 HydrophobicContact CD2-CG2 4.04Å; F35-V81 HydrophobicContact CE2-CG2 3.9Å; V48-V81 HydrophobicContact CG1-CG2 3.75Å; E49-V81 PolarHBondContact O-N 3.28Å; F50-V81 WeakPolarHBondContact CA-O 3.32Å; F50-V81 HydrophobicContact CD1-CB 3.8Å; F50-V81 HydrophobicContact CD1-CG1 3.92Å; F50-V81 HydrophobicContact CD1-CG2 4.28Å; F50-V81 HydrophobicContact CE1-CB 4.04Å; F50-V81 HydrophobicContact CE1-CG1 4.09Å; F50-V81 HydrophobicContact CE1-CG2 4.03Å; F50-V81 HydrophobicContact CG-CB 4.47Å; Y51-V81 VanDerWaalsContact CD1-O 3.23Å; Y51-V81 WeakPolarHBondContact CD1-O 3.45Å; Y51-V81 PolarHBondContact N-O 3.45Å; V81-A83 PolarHBondContact O-N 3.42Å; V81-L89 HydrophobicContact CG1-CD2 3.81Å; V81-L89 HydrophobicContact CG1-CG 4.37Å; V81-L89 HydrophobicContact CG2-CD2 4.27Å
82	D	96.3	Very high	93.1	Very high	20 Å²	20	52.6 Å²	52.6	11%	0.107	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	97.4	164.3	-171.6	-26.9	0	0	0	108.8	Y51 P53 D84 Q85 H86	Y51-D82 HydrophobicContact CE1-CB 4.25Å; Y51-D82 HydrophobicContact CE2-CB 4.43Å; P53-D82 WeakPolarHBondContact CD-OD2 3.3Å; P53-D82 WeakPolarHBondContact CG-OD2 3.47Å; D82-D84 VanDerWaalsContact C-N 3.31Å; D82-D84 WeakPolarHBondContact OD1-CB 3.42Å; D82-D84 PolarHBondContact OD1-N 2.95Å; D82-Q85 HydrophobicContact CB-CB 4.15Å; D82-Q85 PolarHBondContact OD1-N 2.9Å; D82-H86 VanDerWaalsContact O-CB 3.3Å; D82-H86 WeakPolarHBondContact O-CB 3.32Å; D82-H86 PolarHBondContact O-N 3.03Å
83	A	94.1	Very high	92.9	Very high	4 Å²	4	54 Å²	54	3%	0.033	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.7	-177	0	0	0	0	0	112.6	F50 Y51 V81 K87 F98	F50-A83 HydrophobicContact CB-CB 4.09Å; F50-A83 HydrophobicContact CD1-CB 4.19Å; Y51-A83 PolarHBondContact O-N 3.35Å; V81-A83 PolarHBondContact O-N 3.42Å; A83-K87 WeakPolarHBondContact O-CA 3.32Å; A83-K87 PolarHBondContact O-N 2.95Å; A83-F98 HydrophobicContact CB-CD1 4.42Å; A83-F98 HydrophobicContact CB-CE1 3.47Å; A83-F98 VanDerWaalsContact CB-CE1 3.47Å; A83-F98 HydrophobicContact CB-CZ 3.96Å
84	D	92	Very high	92.7	Very high	54 Å²	54	49.3 Å²	49.3	29%	0.289	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-39.9	168.7	-170.4	42.5	0	0	0	110.6	A52 W54 D82 K87	A52-D84 HydrophobicContact CB-CB 3.74Å; W54-D84 PolarHBondContact NE1-OD2 3.25Å; D82-D84 VanDerWaalsContact C-N 3.31Å; D82-D84 WeakPolarHBondContact OD1-CB 3.42Å; D82-D84 PolarHBondContact OD1-N 2.95Å; D84-K87 WeakPolarHBondContact O-CE 3.48Å; D84-K87 WeakPolarHBondContact O-CG 3.28Å; D84-K87 IonicContact OD1-NZ 3.19Å
85	Q	93.1	Very high	92.7	Very high	134 Å²	134	46.5 Å²	46.5	63%	0.626	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-38.8	171	-168.1	179.7	19.6	0	0	112.3	D82	D82-Q85 HydrophobicContact CB-CB 4.15Å; D82-Q85 PolarHBondContact OD1-N 2.9Å
86	H	92.6	Very high	92.7	Very high	39 Å²	39	54 Å²	54	18%	0.181	28%	0.278	C	S	.	.			trans	-113.1	58.6	-175.4	-58.2	-50.6	0	0	0	112.8	P32 D82 S88 L89 G90	P32-H86 VanDerWaalsContact CD-CG 3.46Å; P32-H86 WeakPolarHBondContact CD-ND1 3.35Å; P32-H86 HydrophobicContact CG-CB 4.01Å; D82-H86 VanDerWaalsContact O-CB 3.3Å; D82-H86 WeakPolarHBondContact O-CB 3.32Å; D82-H86 PolarHBondContact O-N 3.03Å; H86-S88 VanDerWaalsContact C-N 3.27Å; H86-S88 PolarHBondContact O-N 2.74Å; H86-L89 HydrophobicContact CB-CB 4.3Å; H86-L89 PolarHBondContact O-N 2.95Å; H86-G90 PolarHBondContact O-N 3.2Å; H86-G90 VanDerWaalsContact O-N 3.17Å
87	K	89.8	Confident	92.4	Very high	145 Å²	145	55.4 Å²	55.4	63%	0.63	29%	0.294	S	S	*	.	H	α-helix	trans	-55.1	-36.1	-175.4	-60.7	-173.6	-179.3	-174.8	0	114.5	A83 D84 G91	A83-K87 WeakPolarHBondContact O-CA 3.32Å; A83-K87 PolarHBondContact O-N 2.95Å; D84-K87 WeakPolarHBondContact O-CE 3.48Å; D84-K87 WeakPolarHBondContact O-CG 3.28Å; D84-K87 IonicContact OD1-NZ 3.19Å; K87-G91 PolarHBondContact O-N 2.85Å
88	S	87.1	Confident	92.3	Very high	96 Å²	96	53.8 Å²	53.8	67%	0.671	29%	0.288	S	S	*	.	H	α-helix	trans	-64.2	-41.4	178.3	52.8	0	0	0	0	112.3	H86 G91 Q92	H86-S88 VanDerWaalsContact C-N 3.27Å; H86-S88 PolarHBondContact O-N 2.74Å; S88-G91 PolarHBondContact O-N 3.44Å; S88-Q92 PolarHBondContact O-N 2.85Å
89	L	88.8	Confident	92.1	Very high	11 Å²	11	54.5 Å²	54.5	6%	0.058	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-42.7	178.5	-176.3	60.6	0	0	0	111.4	P32 F35 V81 H86 Q92 Y93	P32-L89 HydrophobicContact CG-CB 4.46Å; P32-L89 HydrophobicContact CG-CD2 4.31Å; F35-L89 HydrophobicContact CB-CD1 4.44Å; F35-L89 HydrophobicContact CB-CD2 4.21Å; F35-L89 HydrophobicContact CD1-CD1 4.23Å; F35-L89 HydrophobicContact CD2-CD1 4.23Å; F35-L89 HydrophobicContact CD2-CD2 3.78Å; F35-L89 HydrophobicContact CD2-CG 4.41Å; F35-L89 HydrophobicContact CE2-CD2 4.45Å; F35-L89 HydrophobicContact CG-CD1 4.04Å; F35-L89 HydrophobicContact CG-CD2 4.12Å; V81-L89 HydrophobicContact CG1-CD2 3.81Å; V81-L89 HydrophobicContact CG1-CG 4.37Å; V81-L89 HydrophobicContact CG2-CD2 4.27Å; H86-L89 HydrophobicContact CB-CB 4.3Å; H86-L89 PolarHBondContact O-N 2.95Å; L89-Q92 PolarHBondContact O-N 2.73Å; L89-Y93 HydrophobicContact CD1-CD2 4.45Å; L89-Y93 HydrophobicContact CD1-CE2 3.81Å; L89-Y93 VanDerWaalsContact O-CD2 3.27Å; L89-Y93 WeakPolarHBondContact O-CD2 3.45Å
90	G	89.5	Confident	92.1	Very high	3 Å²	3	55 Å²	55	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-43.3	172.5	0	0	0	0	0	112.6	H86 Q92 Y93 G94 V95	H86-G90 PolarHBondContact O-N 3.2Å; H86-G90 VanDerWaalsContact O-N 3.17Å; G90-Q92 PolarHBondContact O-N 3.49Å; G90-Y93 PolarHBondContact O-N 2.72Å; G90-G94 PolarHBondContact O-N 3.23Å; G90-V95 WeakPolarHBondContact O-CB 3.25Å; G90-V95 WeakPolarHBondContact O-CG2 3.35Å; G90-V95 PolarHBondContact O-N 3.24Å
91	G	87.8	Confident	92.1	Very high	48 Å²	48	55 Å²	55	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-38.7	177.9	0	0	0	0	0	113.3	K87 S88 Y93 G94	K87-G91 PolarHBondContact O-N 2.85Å; S88-G91 PolarHBondContact O-N 3.44Å; G91-Y93 PolarHBondContact O-N 3.14Å; G91-G94 PolarHBondContact O-N 2.81Å
92	Q	89.5	Confident	92	Very high	136 Å²	136	56 Å²	56	64%	0.636	30%	0.299	S	S	*	.	H	α-helix	trans	-55.5	-34.5	176.2	-178.5	179.6	-6.2	0	0	112.7	S88 L89 G90	S88-Q92 PolarHBondContact O-N 2.85Å; L89-Q92 PolarHBondContact O-N 2.73Å; G90-Q92 PolarHBondContact O-N 3.49Å
93	Y	89.3	Confident	92	Very high	29 Å²	29	55.1 Å²	55.1	11%	0.114	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	15.9	179.7	-60.6	-68	0	0	0	113.5	F35 F50 L89 G90 G91 V95 K102 F104 P111	F35-Y93 HydrophobicContact CD1-CE2 4.47Å; F35-Y93 AromaticContact CE1-CE2 3.72Å; F35-Y93 HydrophobicContact CE1-CE2 3.72Å; F35-Y93 AromaticContact CE1-CZ 3.75Å; F35-Y93 VanDerWaalsContact CE1-OH 3.27Å; F35-Y93 WeakPolarHBondContact CE1-OH 3.37Å; F35-Y93 AromaticContact CZ-CE2 3.8Å; F35-Y93 HydrophobicContact CZ-CE2 3.8Å; F50-Y93 HydrophobicContact CE1-CD2 4.09Å; F50-Y93 AromaticContact CZ-CD2 3.7Å; F50-Y93 HydrophobicContact CZ-CD2 3.7Å; F50-Y93 HydrophobicContact CZ-CE2 4.44Å; F50-Y93 HydrophobicContact CZ-CG 4.27Å; L89-Y93 HydrophobicContact CD1-CD2 4.45Å; L89-Y93 HydrophobicContact CD1-CE2 3.81Å; L89-Y93 VanDerWaalsContact O-CD2 3.27Å; L89-Y93 WeakPolarHBondContact O-CD2 3.45Å; G90-Y93 PolarHBondContact O-N 2.72Å; G91-Y93 PolarHBondContact O-N 3.14Å; Y93-V95 VanDerWaalsContact C-N 3.32Å; Y93-V95 PolarHBondContact O-N 3.32Å; Y93-K102 VanDerWaalsContact O-CE 3.31Å; Y93-K102 WeakPolarHBondContact O-CE 3.45Å; Y93-K102 PolarHBondContact O-NZ 2.75Å; Y93-F104 HydrophobicContact CD1-CE1 4.3Å; Y93-F104 HydrophobicContact CD1-CZ 4.11Å; Y93-F104 HydrophobicContact CD2-CZ 4.44Å; Y93-F104 AromaticContact CE1-CE1 3.73Å; Y93-F104 HydrophobicContact CE1-CE1 3.73Å; Y93-F104 AromaticContact CE1-CZ 3.92Å; Y93-F104 HydrophobicContact CE1-CZ 3.92Å; Y93-F104 HydrophobicContact CE2-CZ 4.27Å; Y93-F104 HydrophobicContact CG-CZ 4.36Å; Y93-F104 AromaticContact CZ-CE1 3.91Å; Y93-P111 HydrophobicContact CD1-CG 3.51Å; Y93-P111 HydrophobicContact CE1-CG 3.85Å; Y93-P111 HydrophobicContact CG-CG 4.48Å
94	G	90.6	Very high	92.1	Very high	43 Å²	43	55 Å²	55	44%	0.443	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	28.6	174.7	0	0	0	0	0	114.1	G90 G91 R96	G90-G94 PolarHBondContact O-N 3.23Å; G91-G94 PolarHBondContact O-N 2.81Å; G94-R96 PolarHBondContact O-N 2.92Å
95	V	91.9	Very high	92	Very high	23 Å²	23	53.3 Å²	53.3	14%	0.139	29%	0.289	C	S	.	.			trans	-69.7	116.2	177.8	179.5	0	0	0	0	109.4	F50 G90 Y93 G97 F98 T100	F50-V95 HydrophobicContact CB-CG1 4.07Å; F50-V95 HydrophobicContact CB-CG2 3.86Å; F50-V95 HydrophobicContact CD1-CG2 3.95Å; F50-V95 HydrophobicContact CD2-CG2 3.98Å; F50-V95 HydrophobicContact CE1-CG2 4.48Å; F50-V95 HydrophobicContact CG-CG2 3.66Å; G90-V95 WeakPolarHBondContact O-CB 3.25Å; G90-V95 WeakPolarHBondContact O-CG2 3.35Å; G90-V95 PolarHBondContact O-N 3.24Å; Y93-V95 VanDerWaalsContact C-N 3.32Å; Y93-V95 PolarHBondContact O-N 3.32Å; V95-G97 WeakPolarHBondContact CG1-O 3.45Å; V95-F98 HydrophobicContact CG1-CD1 4.01Å; V95-F98 HydrophobicContact CG1-CE1 3.67Å; V95-T100 HydrophobicContact CG2-CG2 4.29Å
96	R	90.2	Very high	91.6	Very high	247 Å²	247	49.5 Å²	49.5	93%	0.932	28%	0.281	S	S	*	.			trans	-110.1	-7.5	-178.9	-65.6	179.2	-177.4	175	0.6	113.7	G94	G94-R96 PolarHBondContact O-N 2.92Å
97	G	90.6	Very high	91.4	Very high	36 Å²	36	51.3 Å²	51.3	37%	0.371	29%	0.292	S	S	.	.	S	Bend	trans	-165.3	167.7	-179	0	0	0	0	0	111.8	V95 T100	V95-G97 WeakPolarHBondContact CG1-O 3.45Å; G97-T100 PolarHBondContact O-OG1 2.96Å
98	F	94.2	Very high	91.2	Very high	57 Å²	57	45.1 Å²	45.1	25%	0.25	27%	0.265	C	S	.	.	S	Bend	trans	-123.9	143.8	-174.5	-51.6	-55.8	0	0	0	111.7	A52 W54 C55 A83 V95	A52-F98 HydrophobicContact CB-CD2 3.54Å; A52-F98 HydrophobicContact CB-CE2 3.79Å; A52-F98 HydrophobicContact CB-CG 4.12Å; W54-F98 HydrophobicContact CH2-CD2 4.49Å; W54-F98 HydrophobicContact CZ2-CD2 4.42Å; W54-F98 HydrophobicContact CZ2-CE2 4.4Å; C55-F98 HydrophobicContact CB-CB 4.42Å; A83-F98 HydrophobicContact CB-CD1 4.42Å; A83-F98 HydrophobicContact CB-CE1 3.47Å; A83-F98 VanDerWaalsContact CB-CE1 3.47Å; A83-F98 HydrophobicContact CB-CZ 3.96Å; V95-F98 HydrophobicContact CG1-CD1 4.01Å; V95-F98 HydrophobicContact CG1-CE1 3.67Å
99	P	94.8	Very high	91	Very high	18 Å²	18	46.7 Å²	46.7	12%	0.117	27%	0.266	C	S	.	.	S	Bend	cis	-80.1	136.3	-9.3	30.1	-32.5	0	0	0	112.4	E49 F50 H57 L61 R118	E49-P99 HydrophobicContact CG-CB 4.2Å; E49-P99 WeakPolarHBondContact OE1-CB 3.15Å; F50-P99 WeakPolarHBondContact O-CA 3.35Å; H57-P99 HydrophobicContact CB-CG 4.47Å; L61-P99 HydrophobicContact CB-CG 4.48Å; L61-P99 HydrophobicContact CD2-CB 3.75Å; L61-P99 HydrophobicContact CD2-CG 3.67Å; P99-R118 PolarHBondContact O-NH1 3.3Å; P99-R118 PolarHBondContact O-NH2 2.96Å
100	T	96.3	Very high	90.9	Very high	12 Å²	12	53.5 Å²	53.5	7%	0.074	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.7	169.9	-66.1	0	0	0	0	109.2	F50 V95 G97 K102 E113	F50-T100 PolarHBondContact N-O 3.47Å; F50-T100 PolarHBondContact O-N 2.89Å; V95-T100 HydrophobicContact CG2-CG2 4.29Å; G97-T100 PolarHBondContact O-OG1 2.96Å; T100-K102 HydrophobicContact CG2-CD 4.29Å; T100-K102 HydrophobicContact CG2-CG 4.42Å; T100-E113 HydrophobicContact CG2-CG 4.08Å
101	I	97.6	Very high	90.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.5	176.2	-62.3	163	0	0	0	108.6	V48 E49 L61 W65 Y114	V48-I101 CarbonylContact O-C 3.58Å; V48-I101 WeakPolarHBondContact O-CA 3.31Å; E49-I101 HydrophobicContact CB-CG1 4.38Å; E49-I101 HydrophobicContact CG-CG1 4.38Å; L61-I101 HydrophobicContact CD2-CD1 4.07Å; W65-I101 HydrophobicContact CE3-CD1 4.1Å; W65-I101 HydrophobicContact CH2-CB 4.45Å; W65-I101 HydrophobicContact CH2-CD1 4.04Å; W65-I101 HydrophobicContact CH2-CG1 3.99Å; W65-I101 HydrophobicContact CH2-CG2 3.59Å; W65-I101 HydrophobicContact CZ3-CD1 3.46Å; W65-I101 VanDerWaalsContact CZ3-CD1 3.46Å; W65-I101 HydrophobicContact CZ3-CG1 3.92Å; W65-I101 HydrophobicContact CZ3-CG2 4.06Å; I101-Y114 HydrophobicContact CB-CD1 4.14Å; I101-Y114 HydrophobicContact CB-CG 4.48Å; I101-Y114 HydrophobicContact CD1-CD1 3.84Å; I101-Y114 HydrophobicContact CD1-CE1 4.29Å; I101-Y114 HydrophobicContact CG2-CD1 4.18Å; I101-Y114 HydrophobicContact CG2-CG 4.22Å; I101-Y114 PolarHBondContact O-N 2.7Å
102	K	95.9	Very high	91.1	Very high	20 Å²	20	54.8 Å²	54.8	9%	0.087	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.1	174.8	-61.5	-65.7	-169.6	179.1	0	110.7	V48 F50 Y93 T100 F104 P111 E112 E113	V48-K102 PolarHBondContact N-O 3.13Å; V48-K102 PolarHBondContact O-N 3.28Å; F50-K102 HydrophobicContact CD2-CG 4.07Å; F50-K102 HydrophobicContact CE2-CB 4Å; F50-K102 HydrophobicContact CE2-CG 3.68Å; Y93-K102 VanDerWaalsContact O-CE 3.31Å; Y93-K102 WeakPolarHBondContact O-CE 3.45Å; Y93-K102 PolarHBondContact O-NZ 2.75Å; T100-K102 HydrophobicContact CG2-CD 4.29Å; T100-K102 HydrophobicContact CG2-CG 4.42Å; K102-F104 HydrophobicContact CB-CD2 4.27Å; K102-F104 HydrophobicContact CB-CE2 3.68Å; K102-F104 HydrophobicContact CB-CZ 4.42Å; K102-P111 HydrophobicContact CB-CB 4.36Å; K102-E112 CarbonylContact C-O 3.6Å; K102-E112 VanDerWaalsContact CA-O 3.28Å; K102-E112 WeakPolarHBondContact CA-O 3.23Å; K102-E113 HydrophobicContact CD-CB 3.99Å; K102-E113 HydrophobicContact CD-CG 4.06Å; K102-E113 IonicContact NZ-OE2 2.72Å; K102-E113 PolarHBondContact NZ-OE2 2.85Å
103	V	96.5	Very high	91.2	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.6	176.6	-172.2	0	0	0	0	109.3	L45 W46 L47 P111 E112 A130 Y148	L45-V103 HydrophobicContact CD1-CG1 3.83Å; L45-V103 HydrophobicContact CG-CG1 4.4Å; W46-V103 WeakPolarHBondContact O-CA 3.44Å; L47-V103 HydrophobicContact CD1-CG1 4.14Å; L47-V103 HydrophobicContact CD1-CG2 4.34Å; L47-V103 HydrophobicContact CG-CG2 4.18Å; V103-P111 WeakPolarHBondContact O-CA 3.48Å; V103-E112 PolarHBondContact N-O 3.36Å; V103-E112 PolarHBondContact O-N 3.07Å; V103-A130 HydrophobicContact CG1-CB 3.81Å; V103-Y148 HydrophobicContact CB-CE2 4.44Å; V103-Y148 WeakPolarHBondContact CB-OH 3.14Å; V103-Y148 WeakPolarHBondContact CG1-OH 3.26Å; V103-Y148 VanDerWaalsContact CG2-OH 3.26Å; V103-Y148 WeakPolarHBondContact CG2-OH 3.33Å
104	F	95.7	Very high	91.1	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	91.6	-177.6	-74	-99.2	0	0	0	109	F35 V39 I40 W46 V48 Y93 K102 K108 P111	F35-F104 HydrophobicContact CE1-CE1 4.07Å; F35-F104 HydrophobicContact CE1-CZ 4.12Å; F35-F104 AromaticContact CZ-CE1 3.98Å; F35-F104 HydrophobicContact CZ-CE1 3.98Å; F35-F104 HydrophobicContact CZ-CE2 4.09Å; F35-F104 AromaticContact CZ-CZ 3.58Å; F35-F104 HydrophobicContact CZ-CZ 3.58Å; V39-F104 HydrophobicContact CG1-CB 3.94Å; V39-F104 HydrophobicContact CG1-CD1 3.65Å; V39-F104 HydrophobicContact CG1-CD2 4.08Å; V39-F104 HydrophobicContact CG1-CE1 4.15Å; V39-F104 HydrophobicContact CG1-CG 3.63Å; I40-F104 HydrophobicContact CD1-CD1 4.34Å; I40-F104 HydrophobicContact CD1-CE1 4.21Å; W46-F104 HydrophobicContact CB-CB 3.83Å; W46-F104 PolarHBondContact N-O 2.89Å; W46-F104 PolarHBondContact O-N 3.27Å; V48-F104 HydrophobicContact CB-CD2 4.24Å; V48-F104 HydrophobicContact CB-CE2 3.93Å; V48-F104 HydrophobicContact CG2-CD2 3.77Å; V48-F104 HydrophobicContact CG2-CE2 3.8Å; Y93-F104 HydrophobicContact CD1-CE1 4.3Å; Y93-F104 HydrophobicContact CD1-CZ 4.11Å; Y93-F104 HydrophobicContact CD2-CZ 4.44Å; Y93-F104 AromaticContact CE1-CE1 3.73Å; Y93-F104 HydrophobicContact CE1-CE1 3.73Å; Y93-F104 AromaticContact CE1-CZ 3.92Å; Y93-F104 HydrophobicContact CE1-CZ 3.92Å; Y93-F104 HydrophobicContact CE2-CZ 4.27Å; Y93-F104 HydrophobicContact CG-CZ 4.36Å; Y93-F104 AromaticContact CZ-CE1 3.91Å; K102-F104 HydrophobicContact CB-CD2 4.27Å; K102-F104 HydrophobicContact CB-CE2 3.68Å; K102-F104 HydrophobicContact CB-CZ 4.42Å; F104-K108 HydrophobicContact CB-CD 3.79Å; F104-K108 HydrophobicContact CD1-CD 4.41Å; F104-K108 WeakPolarHBondContact CD1-O 3.32Å; F104-K108 PolarHBondContact O-NZ 2.89Å; F104-P111 HydrophobicContact CD1-CB 3.62Å; F104-P111 HydrophobicContact CD1-CG 4.13Å; F104-P111 HydrophobicContact CD2-CB 3.98Å; F104-P111 HydrophobicContact CE1-CB 3.52Å; F104-P111 HydrophobicContact CE1-CG 3.56Å; F104-P111 HydrophobicContact CE2-CB 3.89Å; F104-P111 HydrophobicContact CE2-CG 4.41Å; F104-P111 HydrophobicContact CG-CB 3.84Å; F104-P111 HydrophobicContact CZ-CB 3.64Å; F104-P111 HydrophobicContact CZ-CG 3.71Å
105	G	90.2	Very high	90.8	Very high	20 Å²	20	55.6 Å²	55.6	21%	0.206	28%	0.282	C	S	.	.			trans	-80.1	-146.2	-178.9	0	0	0	0	0	114.5	N107 K108	G105-N107 PolarHBondContact O-N 3.32Å; G105-K108 PolarHBondContact O-NZ 3.13Å
106	A	85.9	Confident	90.3	Very high	53 Å²	53	56.1 Å²	56.1	44%	0.438	29%	0.292	S	S	.	.	S	Bend	trans	-64.4	-42.3	-178.4	0	0	0	0	0	111.5	K108 L134 E137	A106-K108 PolarHBondContact O-N 3.43Å; A106-L134 HydrophobicContact CB-CD1 3.6Å; A106-E137 WeakPolarHBondContact CB-OE2 3.3Å
107	N	86.5	Confident	89.9	Confident	77 Å²	77	46.3 Å²	46.3	41%	0.412	27%	0.268	S	S	.	.			trans	-91.2	93.6	172.9	-172.9	-5.7	0	0	0	110.8	G105 N109 K110	G105-N107 PolarHBondContact O-N 3.32Å; N107-N109 PolarHBondContact O-N 3.03Å; N107-N109 WeakPolarHBondContact OD1-CB 3.39Å; N107-N109 PolarHBondContact OD1-N 3.32Å; N107-N109 VanDerWaalsContact OD1-N 3.12Å; N107-K110 PolarHBondContact O-N 3.04Å
108	K	86.3	Confident	89.9	Confident	15 Å²	15	48.8 Å²	48.8	7%	0.065	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.4	179.6	-63.3	-65.9	-168.5	-113.7	0	114.4	V39 I40 S42 S44 F104 G105 A106 K110	V39-K108 VanDerWaalsContact O-CD 3.31Å; V39-K108 WeakPolarHBondContact O-CD 3.4Å; V39-K108 WeakPolarHBondContact O-CE 3.2Å; I40-K108 HydrophobicContact CD1-CB 3.95Å; I40-K108 HydrophobicContact CG2-CB 4.34Å; I40-K108 WeakPolarHBondContact O-CG 3.35Å; S42-K108 WeakPolarHBondContact O-CE 3.36Å; S44-K108 WeakPolarHBondContact O-CE 3.25Å; S44-K108 PolarHBondContact O-NZ 3.28Å; F104-K108 HydrophobicContact CB-CD 3.79Å; F104-K108 HydrophobicContact CD1-CD 4.41Å; F104-K108 WeakPolarHBondContact CD1-O 3.32Å; F104-K108 PolarHBondContact O-NZ 2.89Å; G105-K108 PolarHBondContact O-NZ 3.13Å; A106-K108 PolarHBondContact O-N 3.43Å; K108-K110 VanDerWaalsContact C-N 3.33Å
109	N	83.6	Confident	89.7	Confident	130 Å²	130	48.8 Å²	48.8	70%	0.695	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.3	-179.5	-61.8	-42.3	0	0	0	113.2	N107 P111	N107-N109 PolarHBondContact O-N 3.03Å; N107-N109 WeakPolarHBondContact OD1-CB 3.39Å; N107-N109 PolarHBondContact OD1-N 3.32Å; N107-N109 VanDerWaalsContact OD1-N 3.12Å; N109-P111 VanDerWaalsContact C-CD 3.43Å
110	K	86.1	Confident	89.3	Confident	153 Å²	153	49.2 Å²	49.2	67%	0.665	28%	0.276	S	S	*	.	S	Bend	trans	-126.5	66.5	177.4	-165.6	-177.8	178.4	-174.5	0	110	N107 K108	N107-K110 PolarHBondContact O-N 3.04Å; K108-K110 VanDerWaalsContact C-N 3.33Å
111	P	90.5	Very high	88.5	Confident	25 Å²	25	54 Å²	54	16%	0.162	30%	0.298	C	S	.	.			trans	-69.2	147.3	178.8	30.9	-35.4	0	0	0	111.2	Y93 K102 V103 F104 N109	Y93-P111 HydrophobicContact CD1-CG 3.51Å; Y93-P111 HydrophobicContact CE1-CG 3.85Å; Y93-P111 HydrophobicContact CG-CG 4.48Å; K102-P111 HydrophobicContact CB-CB 4.36Å; V103-P111 WeakPolarHBondContact O-CA 3.48Å; F104-P111 HydrophobicContact CD1-CB 3.62Å; F104-P111 HydrophobicContact CD1-CG 4.13Å; F104-P111 HydrophobicContact CD2-CB 3.98Å; F104-P111 HydrophobicContact CE1-CB 3.52Å; F104-P111 HydrophobicContact CE1-CG 3.56Å; F104-P111 HydrophobicContact CE2-CB 3.89Å; F104-P111 HydrophobicContact CE2-CG 4.41Å; F104-P111 HydrophobicContact CG-CB 3.84Å; F104-P111 HydrophobicContact CZ-CB 3.64Å; F104-P111 HydrophobicContact CZ-CG 3.71Å; N109-P111 VanDerWaalsContact C-CD 3.43Å
112	E	90.2	Very high	87.5	Confident	54 Å²	54	55.2 Å²	55.2	25%	0.252	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	147	-174.5	-58.2	-168.9	-123.1	0	0	110.1	K102 V103 Y148	K102-E112 CarbonylContact C-O 3.6Å; K102-E112 VanDerWaalsContact CA-O 3.28Å; K102-E112 WeakPolarHBondContact CA-O 3.23Å; V103-E112 PolarHBondContact N-O 3.36Å; V103-E112 PolarHBondContact O-N 3.07Å; E112-Y148 HydrophobicContact CB-CD2 3.78Å; E112-Y148 HydrophobicContact CB-CE2 3.95Å; E112-Y148 HydrophobicContact CB-CG 4.27Å; E112-Y148 HydrophobicContact CG-CD2 4.03Å; E112-Y148 HydrophobicContact CG-CE2 4.46Å; E112-Y148 WeakPolarHBondContact OE1-CD2 3.27Å; E112-Y148 WeakPolarHBondContact OE2-CA 3.24Å; E112-Y148 WeakPolarHBondContact OE2-CB 3.34Å; E112-Y148 WeakPolarHBondContact OE2-CD2 3.16Å; E112-Y148 VanDerWaalsContact OE2-CG 3.26Å; E112-Y148 PolarHBondContact OE2-N 3.04Å
113	E	91.8	Very high	87.1	Confident	74 Å²	74	54.3 Å²	54.3	35%	0.346	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	129.3	-179.3	-162	168.7	142	0	0	111.5	T100 K102 Q115	T100-E113 HydrophobicContact CG2-CG 4.08Å; K102-E113 HydrophobicContact CD-CB 3.99Å; K102-E113 HydrophobicContact CD-CG 4.06Å; K102-E113 IonicContact NZ-OE2 2.72Å; K102-E113 PolarHBondContact NZ-OE2 2.85Å; E113-Q115 VanDerWaalsContact CG-NE2 3.26Å; E113-Q115 PolarHBondContact O-N 3.04Å; E113-Q115 PolarHBondContact OE1-NE2 3.11Å
114	Y	88.8	Confident	86.8	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.047	31%	0.31	C	S	.	.			trans	-79.9	111.8	175	173.9	-99.4	0	0	0	110.2	I101 G116 G117 A122 I123	I101-Y114 HydrophobicContact CB-CD1 4.14Å; I101-Y114 HydrophobicContact CB-CG 4.48Å; I101-Y114 HydrophobicContact CD1-CD1 3.84Å; I101-Y114 HydrophobicContact CD1-CE1 4.29Å; I101-Y114 HydrophobicContact CG2-CD1 4.18Å; I101-Y114 HydrophobicContact CG2-CG 4.22Å; I101-Y114 PolarHBondContact O-N 2.7Å; Y114-G116 WeakPolarHBondContact OH-CA 3.29Å; Y114-G117 WeakPolarHBondContact CE1-O 3.47Å; Y114-G117 PolarHBondContact OH-N 3.46Å; Y114-G117 PolarHBondContact OH-O 3.41Å; Y114-A122 VanDerWaalsContact OH-C 3.24Å; Y114-A122 PolarHBondContact OH-O 3.49Å; Y114-A122 VanDerWaalsContact OH-O 3.04Å; Y114-I123 HydrophobicContact CE1-CG1 4.22Å
115	Q	84.1	Confident	85.9	Confident	139 Å²	139	58.8 Å²	58.8	65%	0.65	33%	0.329	S	S	*	.			trans	-102.1	12.3	179.1	-60.4	-60.8	-22.5	0	0	113.2	E113	E113-Q115 VanDerWaalsContact CG-NE2 3.26Å; E113-Q115 PolarHBondContact O-N 3.04Å; E113-Q115 PolarHBondContact OE1-NE2 3.11Å
116	G	79.9	Confident	85.5	Confident	33 Å²	33	58.6 Å²	58.6	34%	0.34	33%	0.326	S	S	.	.	S	Bend	trans	-79.6	-177.7	-179	0	0	0	0	0	113.8	Y114	Y114-G116 WeakPolarHBondContact OH-CA 3.29Å
117	G	81.8	Confident	85.6	Confident	41 Å²	41	56 Å²	56	42%	0.423	31%	0.305	S	S	.	.			trans	-61.2	153.3	177	0	0	0	0	0	112.7	Y114 A122	Y114-G117 WeakPolarHBondContact CE1-O 3.47Å; Y114-G117 PolarHBondContact OH-N 3.46Å; Y114-G117 PolarHBondContact OH-O 3.41Å; G117-A122 WeakPolarHBondContact O-CB 3.39Å
118	R	91.1	Very high	85.6	Confident	89 Å²	89	55 Å²	55	34%	0.336	30%	0.299	S	S	.	.	S	Bend	trans	-96.7	6.2	-175.4	-59.5	-62.8	175.7	144.7	2	114	L61 P99	L61-R118 HydrophobicContact CD1-CB 4.16Å; L61-R118 WeakPolarHBondContact CD1-O 3.14Å; P99-R118 PolarHBondContact O-NH1 3.3Å; P99-R118 PolarHBondContact O-NH2 2.96Å
119	S	90.9	Very high	85.1	Confident	56 Å²	56	56.2 Å²	56.2	39%	0.392	31%	0.306	S	S	.	.	S	Bend	trans	-77.9	154.3	170.2	63.4	0	0	0	0	110.9	Q121 A122 I123	S119-Q121 PolarHBondContact O-N 3.09Å; S119-A122 PolarHBondContact O-N 2.72Å; S119-A122 VanDerWaalsContact O-N 3.12Å; S119-A122 WeakPolarHBondContact OG-CB 3.48Å; S119-A122 PolarHBondContact OG-N 3.46Å; S119-I123 WeakPolarHBondContact O-CD1 3.47Å; S119-I123 WeakPolarHBondContact O-CG1 3.28Å; S119-I123 PolarHBondContact O-N 3.36Å
120	S	85.6	Confident	85.2	Confident	28 Å²	28	50.3 Å²	50.3	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-57.5	-39.3	-178.9	67.4	0	0	0	0	111.5	E64 I123 V124	E64-S120 WeakPolarHBondContact O-CB 3.45Å; E64-S120 WeakPolarHBondContact OE2-CB 3.32Å; E64-S120 PolarHBondContact OE2-N 3.14Å; E64-S120 PolarHBondContact OE2-OG 2.9Å; S120-I123 PolarHBondContact O-N 3.48Å; S120-V124 WeakPolarHBondContact O-CB 3.18Å; S120-V124 WeakPolarHBondContact O-CG2 2.91Å; S120-V124 PolarHBondContact O-N 3.4Å
121	Q	80.8	Confident	85.3	Confident	113 Å²	113	44.6 Å²	44.6	53%	0.528	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-48.8	176.6	-174.5	58.9	44	0	0	111.9	S119 I123 V124 D125	S119-Q121 PolarHBondContact O-N 3.09Å; Q121-I123 VanDerWaalsContact C-N 3.31Å; Q121-I123 PolarHBondContact O-N 3.45Å; Q121-V124 PolarHBondContact O-N 2.97Å; Q121-D125 PolarHBondContact NE2-OD1 2.89Å; Q121-D125 VanDerWaalsContact NE2-OD1 3.07Å; Q121-D125 PolarHBondContact NE2-OD2 3.45Å; Q121-D125 VanDerWaalsContact NE2-OD2 3.1Å; Q121-D125 VanDerWaalsContact O-CG 3.25Å; Q121-D125 PolarHBondContact O-N 2.76Å
122	A	74.8	Confident	84.8	Confident	25 Å²	25	49.4 Å²	49.4	21%	0.207	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-38.6	179.9	0	0	0	0	0	111.9	Y114 G117 S119 D125 G126	Y114-A122 VanDerWaalsContact OH-C 3.24Å; Y114-A122 PolarHBondContact OH-O 3.49Å; Y114-A122 VanDerWaalsContact OH-O 3.04Å; G117-A122 WeakPolarHBondContact O-CB 3.39Å; S119-A122 PolarHBondContact O-N 2.72Å; S119-A122 VanDerWaalsContact O-N 3.12Å; S119-A122 WeakPolarHBondContact OG-CB 3.48Å; S119-A122 PolarHBondContact OG-N 3.46Å; A122-D125 PolarHBondContact O-N 2.97Å; A122-G126 PolarHBondContact O-N 3.05Å
123	I	89.3	Confident	84.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-45.4	176.6	-66.6	157.4	0	0	0	110.8	L47 L61 W65 A68 Y114 S119 S120 Q121 G126 A127	L47-I123 HydrophobicContact CD2-CG2 3.92Å; L61-I123 HydrophobicContact CD1-CD1 3.88Å; W65-I123 HydrophobicContact CE3-CD1 3.86Å; W65-I123 HydrophobicContact CE3-CG2 4.1Å; W65-I123 HydrophobicContact CZ3-CD1 4.17Å; W65-I123 HydrophobicContact CZ3-CG1 4.33Å; W65-I123 HydrophobicContact CZ3-CG2 3.66Å; A68-I123 HydrophobicContact CB-CB 4.05Å; A68-I123 HydrophobicContact CB-CG2 3.65Å; Y114-I123 HydrophobicContact CE1-CG1 4.22Å; S119-I123 WeakPolarHBondContact O-CD1 3.47Å; S119-I123 WeakPolarHBondContact O-CG1 3.28Å; S119-I123 PolarHBondContact O-N 3.36Å; S120-I123 PolarHBondContact O-N 3.48Å; Q121-I123 VanDerWaalsContact C-N 3.31Å; Q121-I123 PolarHBondContact O-N 3.45Å; I123-G126 PolarHBondContact O-N 3.24Å; I123-A127 WeakPolarHBondContact O-CB 3.47Å; I123-A127 PolarHBondContact O-N 3.29Å
124	V	89.1	Confident	84.2	Confident	26 Å²	26	45.8 Å²	45.8	16%	0.158	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-46.8	175.8	169.2	0	0	0	0	110.6	A68 A71 L72 S120 Q121 G126 A127 M128	A68-V124 HydrophobicContact CB-CG2 4.12Å; A71-V124 HydrophobicContact CB-CG2 3.93Å; L72-V124 HydrophobicContact CD1-CG2 4.39Å; L72-V124 HydrophobicContact CD2-CG1 4.19Å; L72-V124 HydrophobicContact CD2-CG2 4.5Å; L72-V124 HydrophobicContact CG-CG2 4.13Å; S120-V124 WeakPolarHBondContact O-CB 3.18Å; S120-V124 WeakPolarHBondContact O-CG2 2.91Å; S120-V124 PolarHBondContact O-N 3.4Å; Q121-V124 PolarHBondContact O-N 2.97Å; V124-G126 VanDerWaalsContact C-N 3.34Å; V124-G126 PolarHBondContact O-N 3.35Å; V124-A127 PolarHBondContact O-N 3.2Å; V124-M128 HydrophobicContact CG1-CG 4.41Å; V124-M128 WeakPolarHBondContact O-CG 3.26Å; V124-M128 PolarHBondContact O-N 2.82Å
125	D	76.8	Confident	84.1	Confident	72 Å²	72	48.4 Å²	48.4	39%	0.385	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-42	178.8	-68.3	-29.5	0	0	0	111.6	Q121 A122 M128 N129	Q121-D125 PolarHBondContact NE2-OD1 2.89Å; Q121-D125 VanDerWaalsContact NE2-OD1 3.07Å; Q121-D125 PolarHBondContact NE2-OD2 3.45Å; Q121-D125 VanDerWaalsContact NE2-OD2 3.1Å; Q121-D125 VanDerWaalsContact O-CG 3.25Å; Q121-D125 PolarHBondContact O-N 2.76Å; A122-D125 PolarHBondContact O-N 2.97Å; D125-M128 PolarHBondContact O-N 2.75Å; D125-N129 VanDerWaalsContact O-CG 3.27Å; D125-N129 PolarHBondContact O-N 3.46Å; D125-N129 PolarHBondContact O-ND2 3.41Å
126	G	81.8	Confident	83.9	Confident	15 Å²	15	48.1 Å²	48.1	16%	0.155	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-45.8	173.1	0	0	0	0	0	112.9	A122 I123 V124 N129 A130	A122-G126 PolarHBondContact O-N 3.05Å; I123-G126 PolarHBondContact O-N 3.24Å; V124-G126 VanDerWaalsContact C-N 3.34Å; V124-G126 PolarHBondContact O-N 3.35Å; G126-N129 PolarHBondContact O-N 3.07Å; G126-A130 WeakPolarHBondContact O-CB 3.16Å; G126-A130 PolarHBondContact O-N 3.02Å
127	A	88.1	Confident	84	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.8	-42.9	177.7	0	0	0	0	0	112.1	L45 L47 L72 V76 I123 V124 N129 A130 L131	L45-A127 WeakPolarHBondContact CD2-O 3.49Å; L47-A127 HydrophobicContact CD1-CB 3.77Å; L47-A127 HydrophobicContact CD2-CB 3.87Å; L72-A127 HydrophobicContact CD1-CB 3.51Å; L72-A127 HydrophobicContact CD2-CB 3.93Å; L72-A127 HydrophobicContact CG-CB 4.39Å; V76-A127 HydrophobicContact CG1-CB 4.34Å; V76-A127 HydrophobicContact CG2-CB 4.31Å; I123-A127 WeakPolarHBondContact O-CB 3.47Å; I123-A127 PolarHBondContact O-N 3.29Å; V124-A127 PolarHBondContact O-N 3.2Å; A127-N129 VanDerWaalsContact C-N 3.34Å; A127-N129 PolarHBondContact O-N 2.8Å; A127-A130 PolarHBondContact O-N 3.14Å; A127-L131 WeakPolarHBondContact O-CB 3.48Å; A127-L131 PolarHBondContact O-N 3Å
128	M	86.2	Confident	84.1	Confident	55 Å²	55	53 Å²	53	27%	0.271	26%	0.264	S	S	.	.	H	α-helix	trans	-66	-36.1	177.8	-69	-57	-68.6	0	0	112.2	L72 I75 V124 D125 L131 R132	L72-M128 HydrophobicContact CD2-SD 4.27Å; I75-M128 HydrophobicContact CG2-SD 4.03Å; V124-M128 HydrophobicContact CG1-CG 4.41Å; V124-M128 WeakPolarHBondContact O-CG 3.26Å; V124-M128 PolarHBondContact O-N 2.82Å; D125-M128 PolarHBondContact O-N 2.75Å; M128-L131 PolarHBondContact O-N 2.78Å; M128-L131 HydrophobicContact SD-CD2 4.38Å; M128-R132 WeakPolarHBondContact O-CG 3.34Å; M128-R132 PolarHBondContact O-N 2.8Å
129	N	76.8	Confident	83.5	Confident	40 Å²	40	55.8 Å²	55.8	21%	0.214	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-45.7	174.5	-71.4	-21.5	0	0	0	111.8	D125 G126 A127 L131 R132 T133 Q151	D125-N129 VanDerWaalsContact O-CG 3.27Å; D125-N129 PolarHBondContact O-N 3.46Å; D125-N129 PolarHBondContact O-ND2 3.41Å; G126-N129 PolarHBondContact O-N 3.07Å; A127-N129 VanDerWaalsContact C-N 3.34Å; A127-N129 PolarHBondContact O-N 2.8Å; N129-L131 PolarHBondContact O-N 2.89Å; N129-R132 WeakPolarHBondContact O-CB 3.31Å; N129-R132 PolarHBondContact O-N 3.47Å; N129-R132 PolarHBondContact OD1-NH1 3.21Å; N129-T133 PolarHBondContact O-N 3.35Å; N129-T133 PolarHBondContact O-OG1 3.26Å; N129-Q151 PolarHBondContact ND2-O 2.77Å
130	A	84.4	Confident	82.8	Confident	7 Å²	7	56.8 Å²	56.8	6%	0.058	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-37	174	0	0	0	0	0	112.2	L45 V103 G126 A127 T133 L134 Y148	L45-A130 HydrophobicContact CD1-CB 4.13Å; L45-A130 HydrophobicContact CD2-CB 3.65Å; V103-A130 HydrophobicContact CG1-CB 3.81Å; G126-A130 WeakPolarHBondContact O-CB 3.16Å; G126-A130 PolarHBondContact O-N 3.02Å; A127-A130 PolarHBondContact O-N 3.14Å; A130-T133 PolarHBondContact O-N 3.18Å; A130-L134 WeakPolarHBondContact O-CB 3.45Å; A130-L134 PolarHBondContact O-N 3.05Å; A130-Y148 WeakPolarHBondContact CB-OH 3.16Å
131	L	88.1	Confident	81.6	Confident	32 Å²	32	58.6 Å²	58.6	17%	0.168	32%	0.315	C	S	.	.	H	α-helix	trans	-67.3	-41.9	177.1	-178.3	62.6	0	0	0	111.7	L45 I75 V76 A127 M128 N129 T133 L134 V135	L45-L131 HydrophobicContact CB-CD1 4.32Å; L45-L131 HydrophobicContact CD2-CB 3.96Å; I75-L131 HydrophobicContact CG2-CD2 3.5Å; I75-L131 VanDerWaalsContact CG2-CD2 3.5Å; V76-L131 HydrophobicContact CG2-CB 4.35Å; V76-L131 HydrophobicContact CG2-CD2 4.12Å; A127-L131 WeakPolarHBondContact O-CB 3.48Å; A127-L131 PolarHBondContact O-N 3Å; M128-L131 PolarHBondContact O-N 2.78Å; M128-L131 HydrophobicContact SD-CD2 4.38Å; N129-L131 PolarHBondContact O-N 2.89Å; L131-T133 VanDerWaalsContact C-N 3.29Å; L131-T133 PolarHBondContact O-N 2.99Å; L131-L134 HydrophobicContact CD1-CD2 4.34Å; L131-L134 WeakPolarHBondContact O-CB 3.38Å; L131-L134 PolarHBondContact O-N 2.99Å; L131-V135 WeakPolarHBondContact O-CG2 3.23Å; L131-V135 PolarHBondContact O-N 2.85Å
132	R	81.8	Confident	80.2	Confident	126 Å²	126	61.6 Å²	61.6	48%	0.475	33%	0.326	S	S	.	.	H	α-helix	trans	-59.4	-42.1	173.7	-72.9	174.2	-177.2	116.6	1.9	111.4	M128 N129 V135 K136	M128-R132 WeakPolarHBondContact O-CG 3.34Å; M128-R132 PolarHBondContact O-N 2.8Å; N129-R132 WeakPolarHBondContact O-CB 3.31Å; N129-R132 PolarHBondContact O-N 3.47Å; N129-R132 PolarHBondContact OD1-NH1 3.21Å; R132-V135 PolarHBondContact O-N 2.81Å; R132-K136 WeakPolarHBondContact O-CG 3.4Å; R132-K136 PolarHBondContact O-N 2.62Å
133	T	82.1	Confident	78.9	Confident	49 Å²	49	66.6 Å²	66.6	30%	0.301	36%	0.36	S	S	.	.	H	α-helix	trans	-62.1	-47.6	175.2	-58.3	0	0	0	0	111.1	N129 A130 L131 V135 K136 E137	N129-T133 PolarHBondContact O-N 3.35Å; N129-T133 PolarHBondContact O-OG1 3.26Å; A130-T133 PolarHBondContact O-N 3.18Å; L131-T133 VanDerWaalsContact C-N 3.29Å; L131-T133 PolarHBondContact O-N 2.99Å; T133-V135 VanDerWaalsContact C-N 3.32Å; T133-V135 PolarHBondContact O-N 3.4Å; T133-K136 WeakPolarHBondContact O-CB 3.46Å; T133-K136 PolarHBondContact O-N 3.38Å; T133-K136 VanDerWaalsContact O-N 3.12Å; T133-E137 WeakPolarHBondContact O-CG 3.43Å; T133-E137 PolarHBondContact O-N 2.81Å
134	L	85.8	Confident	76.6	Confident	3 Å²	3	69.9 Å²	69.9	2%	0.016	39%	0.393	C	S	.	.	H	α-helix	trans	-57	-43.1	176.4	178.6	61.1	0	0	0	112.5	L45 A106 A130 L131 E137 R138	L45-L134 HydrophobicContact CB-CD2 3.74Å; L45-L134 HydrophobicContact CD1-CD2 4.18Å; A106-L134 HydrophobicContact CB-CD1 3.6Å; A130-L134 WeakPolarHBondContact O-CB 3.45Å; A130-L134 PolarHBondContact O-N 3.05Å; L131-L134 HydrophobicContact CD1-CD2 4.34Å; L131-L134 WeakPolarHBondContact O-CB 3.38Å; L131-L134 PolarHBondContact O-N 2.99Å; L134-E137 PolarHBondContact O-N 2.81Å; L134-R138 WeakPolarHBondContact O-CG 3.47Å; L134-R138 PolarHBondContact O-N 3.04Å; L134-R138 VanDerWaalsContact O-N 3.11Å
135	V	86.2	Confident	74.5	Confident	67 Å²	67	72.5 Å²	72.5	41%	0.406	43%	0.426	S	S	.	.	H	α-helix	trans	-63.8	-43.7	176.7	171.1	0	0	0	0	110.9	L131 R132 T133 R138 L139	L131-V135 WeakPolarHBondContact O-CG2 3.23Å; L131-V135 PolarHBondContact O-N 2.85Å; R132-V135 PolarHBondContact O-N 2.81Å; T133-V135 VanDerWaalsContact C-N 3.32Å; T133-V135 PolarHBondContact O-N 3.4Å; V135-R138 PolarHBondContact O-N 2.84Å; V135-L139 HydrophobicContact CG1-CD1 4.03Å; V135-L139 HydrophobicContact CG1-CG 4.46Å; V135-L139 WeakPolarHBondContact O-CG 3.35Å; V135-L139 PolarHBondContact O-N 3Å
136	K	80.9	Confident	72.7	Confident	134 Å²	134	71.5 Å²	71.5	58%	0.583	42%	0.424	S	S	*	.	H	α-helix	trans	-62.7	-41.4	176.6	-73.7	176.9	179.3	-179.1	0	112.7	R132 T133 R138 L139 S140	R132-K136 WeakPolarHBondContact O-CG 3.4Å; R132-K136 PolarHBondContact O-N 2.62Å; T133-K136 WeakPolarHBondContact O-CB 3.46Å; T133-K136 PolarHBondContact O-N 3.38Å; T133-K136 VanDerWaalsContact O-N 3.12Å; K136-R138 VanDerWaalsContact C-N 3.32Å; K136-R138 PolarHBondContact O-N 3.04Å; K136-L139 PolarHBondContact O-N 3.45Å; K136-S140 WeakPolarHBondContact O-CB 3.25Å; K136-S140 PolarHBondContact O-N 3.14Å; K136-S140 PolarHBondContact O-OG 3.24Å
137	E	81.3	Confident	70.7	Confident	46 Å²	46	75.4 Å²	75.4	22%	0.215	45%	0.449	C	S	.	.	H	α-helix	trans	-61	-42.3	176.2	-74.2	174.3	-173.8	0	0	111.3	A106 T133 L134 S140 G141 S146	A106-E137 WeakPolarHBondContact CB-OE2 3.3Å; T133-E137 WeakPolarHBondContact O-CG 3.43Å; T133-E137 PolarHBondContact O-N 2.81Å; L134-E137 PolarHBondContact O-N 2.81Å; E137-S140 PolarHBondContact O-N 2.59Å; E137-S140 PolarHBondContact O-OG 2.88Å; E137-G141 PolarHBondContact O-N 3.4Å; E137-S146 WeakPolarHBondContact OE1-CB 3.48Å; E137-S146 PolarHBondContact OE1-OG 3.48Å; E137-S146 VanDerWaalsContact OE1-OG 3.05Å
138	R	84.4	Confident	67.9	Low	130 Å²	130	79.5 Å²	79.5	49%	0.491	47%	0.465	S	S	.	.	H	α-helix	trans	-64	-42.1	174.9	-72.7	178.3	179.1	153.2	8.2	113.3	D43 L134 V135 K136 S140	D43-R138 PolarHBondContact O-NH1 3.4Å; D43-R138 PolarHBondContact O-NH2 2.83Å; L134-R138 WeakPolarHBondContact O-CG 3.47Å; L134-R138 PolarHBondContact O-N 3.04Å; L134-R138 VanDerWaalsContact O-N 3.11Å; V135-R138 PolarHBondContact O-N 2.84Å; K136-R138 VanDerWaalsContact C-N 3.32Å; K136-R138 PolarHBondContact O-N 3.04Å; R138-S140 VanDerWaalsContact C-N 3.28Å; R138-S140 PolarHBondContact O-N 3Å
139	L	78.6	Confident	65.5	Low	148 Å²	148	83.4 Å²	83.4	78%	0.775	49%	0.487	S	S	*	.	H	α-helix	trans	-66.4	-30.8	178.9	-72.1	172.6	0	0	0	112.7	V135 K136	V135-L139 HydrophobicContact CG1-CD1 4.03Å; V135-L139 HydrophobicContact CG1-CG 4.46Å; V135-L139 WeakPolarHBondContact O-CG 3.35Å; V135-L139 PolarHBondContact O-N 3Å; K136-L139 PolarHBondContact O-N 3.45Å
140	S	75.4	Confident	63.5	Low	76 Å²	76	89.4 Å²	89.4	53%	0.531	51%	0.511	S	S	.	.	H	α-helix	trans	-90.7	-6.2	-175.6	56	0	0	0	0	114.5	K136 E137 R138 K142	K136-S140 WeakPolarHBondContact O-CB 3.25Å; K136-S140 PolarHBondContact O-N 3.14Å; K136-S140 PolarHBondContact O-OG 3.24Å; E137-S140 PolarHBondContact O-N 2.59Å; E137-S140 PolarHBondContact O-OG 2.88Å; R138-S140 VanDerWaalsContact C-N 3.28Å; R138-S140 PolarHBondContact O-N 3Å; S140-K142 PolarHBondContact O-N 2.64Å
141	G	61.3	Low	61.2	Low	66 Å²	66	94.6 Å²	94.6	68%	0.68	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	6.4	174.3	0	0	0	0	0	115.7	E137	E137-G141 PolarHBondContact O-N 3.4Å
142	K	51.7	Low	58.9	Low	177 Å²	177	98 Å²	98	77%	0.77	55%	0.549	S	S	*	.			trans	-89.3	109.7	178.6	-93.6	-178.5	173.9	176.6	0	110.5	S140 G144	S140-K142 PolarHBondContact O-N 2.64Å; K142-G144 PolarHBondContact O-N 3.48Å
143	S	46.9	Very low	56.5	Low	130 Å²	130	95.7 Å²	95.7	91%	0.909	55%	0.553	S	S	*	*			trans	-78.1	109.6	163.9	-56.9	0	0	0	0	109.9
144	G	42	Very low	54.2	Low	68 Å²	68	99.1 Å²	99.1	70%	0.701	58%	0.579	S	S	*	*	S	Bend	trans	112.7	114.4	157.5	0	0	0	0	0	116.1	K142	K142-G144 PolarHBondContact O-N 3.48Å
145	G	44.7	Very low	51.7	Low	81 Å²	81	102.4 Å²	102.4	84%	0.835	61%	0.614	S	S	*	*			trans	112.3	62.6	162	0	0	0	0	0	114.7
146	S	38.5	Very low	49.2	Very low	51 Å²	51	101.8 Å²	101.8	36%	0.357	62%	0.62	S	S	.	*			trans	-112.1	116.6	169.1	-169.7	0	0	0	0	108.1	E137	E137-S146 WeakPolarHBondContact OE1-CB 3.48Å; E137-S146 PolarHBondContact OE1-OG 3.48Å; E137-S146 VanDerWaalsContact OE1-OG 3.05Å
147	S	38.8	Very low	47.2	Very low	97 Å²	97	97.7 Å²	97.7	68%	0.678	61%	0.608	S	S	*	*			trans	-71.9	135.5	165.1	-145.3	0	0	0	0	106.6	N149	S147-N149 PolarHBondContact O-N 3.33Å
148	Y	30.3	Very low	45.9	Very low	87 Å²	87	98.9 Å²	98.9	34%	0.341	61%	0.613	S	S	.	*			trans	-52.1	87.6	164.8	-120.1	-125.4	0	0	0	110	V103 E112 A130 K150	V103-Y148 HydrophobicContact CB-CE2 4.44Å; V103-Y148 WeakPolarHBondContact CB-OH 3.14Å; V103-Y148 WeakPolarHBondContact CG1-OH 3.26Å; V103-Y148 VanDerWaalsContact CG2-OH 3.26Å; V103-Y148 WeakPolarHBondContact CG2-OH 3.33Å; E112-Y148 HydrophobicContact CB-CD2 3.78Å; E112-Y148 HydrophobicContact CB-CE2 3.95Å; E112-Y148 HydrophobicContact CB-CG 4.27Å; E112-Y148 HydrophobicContact CG-CD2 4.03Å; E112-Y148 HydrophobicContact CG-CE2 4.46Å; E112-Y148 WeakPolarHBondContact OE1-CD2 3.27Å; E112-Y148 WeakPolarHBondContact OE2-CA 3.24Å; E112-Y148 WeakPolarHBondContact OE2-CB 3.34Å; E112-Y148 WeakPolarHBondContact OE2-CD2 3.16Å; E112-Y148 VanDerWaalsContact OE2-CG 3.26Å; E112-Y148 PolarHBondContact OE2-N 3.04Å; A130-Y148 WeakPolarHBondContact CB-OH 3.16Å; Y148-K150 PolarHBondContact O-N 3.34Å
149	N	35	Very low	45	Very low	136 Å²	136	100.3 Å²	100.3	73%	0.727	62%	0.623	S	S	*	*			trans	-86.6	103.3	169.8	-117.5	-27.4	0	0	0	106.4	S147 Q151	S147-N149 PolarHBondContact O-N 3.33Å; N149-Q151 PolarHBondContact O-N 3.33Å
150	K	35.2	Very low	45.5	Very low	166 Å²	166	94.7 Å²	94.7	72%	0.722	59%	0.593	S	S	*	*			trans	-56.9	99.4	177	-173.4	-176	-174.9	-175.2	0	109.2	Y148	Y148-K150 PolarHBondContact O-N 3.34Å
151	Q	37	Very low	46.3	Very low	117 Å²	117	92.5 Å²	92.5	55%	0.547	58%	0.577	S	S	.	*			trans	-114.1	92.8	165.5	-154.7	159.3	7.9	0	0	111.4	N129 N149	N129-Q151 PolarHBondContact ND2-O 2.77Å; N149-Q151 PolarHBondContact O-N 3.33Å
152	Q	38.2	Very low	47.9	Very low	102 Å²	102	91 Å²	91	48%	0.477	56%	0.555	S	S	.	*			trans	-23.8	128.6	148.7	-133.4	150.7	-34.6	0	0	113.6
153	S	33	Very low	49.9	Very low	79 Å²	79	89.2 Å²	89.2	55%	0.552	55%	0.549	S	S	*	.			trans	-88.9	118.9	168.5	178.8	0	0	0	0	110
154	S	33.6	Very low	52.2	Low	121 Å²	121	83 Å²	83	85%	0.846	51%	0.506	S	S	*	.	S	Bend	trans	61.9	76.9	145.2	-176.9	0	0	0	0	118.5
155	G	33.2	Very low	54.6	Low	72 Å²	72	81.1 Å²	81.1	74%	0.742	48%	0.481	S	S	*	.	S	Bend	trans	-174.4	73.4	156.8	0	0	0	0	0	109.6
156	G	33.7	Very low	56.6	Low	53 Å²	53	79.6 Å²	79.6	55%	0.546	45%	0.453	S	S	.	.	S	Bend	trans	82	121.8	-174.6	0	0	0	0	0	112.7	K158	G156-K158 PolarHBondContact O-N 2.87Å
157	S	38	Very low	59.1	Low	48 Å²	48	84.6 Å²	84.6	34%	0.336	48%	0.476	S	S	.	.			trans	-66.5	119.5	176.6	52	0	0	0	0	110.6	K159 T204	S157-K159 PolarHBondContact O-N 3.13Å; S157-T204 PolarHBondContact O-OG1 3.24Å
158	K	54.6	Low	61.7	Low	72 Å²	72	82 Å²	82	31%	0.313	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-60.9	9.5	158.3	-77.1	-177.4	168.9	178.4	0	114.2	G156 D160 E196 A200	G156-K158 PolarHBondContact O-N 2.87Å; K158-D160 PolarHBondContact O-N 3.34Å; K158-E196 WeakPolarHBondContact CE-OE1 3.15Å; K158-E196 IonicContact NZ-OE1 2.68Å; K158-E196 PolarHBondContact NZ-OE1 2.78Å; K158-A200 HydrophobicContact CG-CB 3.96Å
159	K	64.3	Low	64.8	Low	159 Å²	159	78 Å²	78	69%	0.691	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-62.6	-23.2	-176.3	-76.8	-179.5	178.3	-176.6	0	112.7	S157	S157-K159 PolarHBondContact O-N 3.13Å
160	D	89.9	Confident	67.6	Low	30 Å²	30	74.4 Å²	74.4	16%	0.16	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-109	-6.1	-171.3	-58.6	-55.2	0	0	0	114.1	K158 A203 T204 K207	K158-D160 PolarHBondContact O-N 3.34Å; D160-A203 HydrophobicContact CB-CB 4.27Å; D160-T204 PolarHBondContact OD2-OG1 3.43Å; D160-K207 HydrophobicContact CB-CD 3.96Å; D160-K207 WeakPolarHBondContact OD1-CD 3.35Å; D160-K207 WeakPolarHBondContact OD1-CE 3.43Å; D160-K207 IonicContact OD1-NZ 2.73Å; D160-K207 PolarHBondContact OD1-NZ 2.98Å
161	V	92.6	Very high	70.3	Confident	31 Å²	31	73.6 Å²	73.6	19%	0.188	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.5	166	-177.4	0	0	0	0	107.7	A200 A203 L216 A218	V161-A200 HydrophobicContact CG2-CB 4.13Å; V161-A203 HydrophobicContact CB-CB 4.48Å; V161-A203 HydrophobicContact CG2-CB 3.52Å; V161-L216 WeakPolarHBondContact CA-O 3.46Å; V161-A218 HydrophobicContact CG1-CB 3.77Å
162	V	94.5	Very high	73	Confident	35 Å²	35	69.6 Å²	69.6	21%	0.212	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.7	-179.2	-175.2	0	0	0	0	109.3	L164 T172 W180 L216 G217 A218	V162-L164 HydrophobicContact CG1-CD2 4.19Å; V162-L164 PolarHBondContact O-N 3.43Å; V162-T172 HydrophobicContact CG1-CG2 4.34Å; V162-W180 HydrophobicContact CB-CH2 3.94Å; V162-W180 HydrophobicContact CB-CZ3 3.82Å; V162-W180 HydrophobicContact CG1-CH2 4.06Å; V162-W180 HydrophobicContact CG1-CZ3 4.33Å; V162-W180 HydrophobicContact CG2-CH2 3.78Å; V162-W180 HydrophobicContact CG2-CZ3 3.9Å; V162-L216 PolarHBondContact N-O 2.97Å; V162-G217 CarbonylContact O-C 3.51Å; V162-G217 WeakPolarHBondContact O-CA 3.1Å; V162-A218 PolarHBondContact O-N 2.97Å
163	E	93.6	Very high	75.7	Confident	138 Å²	138	64.9 Å²	64.9	65%	0.645	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	122.2	172.1	-173.5	174	-175	0	0	109.8	N168	E163-N168 PolarHBondContact O-ND2 2.9Å; E163-N168 VanDerWaalsContact O-ND2 3.17Å
164	L	94.6	Very high	78.5	Confident	0 Å²	0	64 Å²	64	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.1	-178.5	-65.6	173.8	0	0	0	109.3	V162 N168 F169 T172 V173 V182 A218 V219	V162-L164 HydrophobicContact CG1-CD2 4.19Å; V162-L164 PolarHBondContact O-N 3.43Å; L164-N168 WeakPolarHBondContact CA-OD1 3.3Å; L164-F169 HydrophobicContact CB-CD2 4.08Å; L164-F169 HydrophobicContact CD1-CD2 4.05Å; L164-F169 HydrophobicContact CD1-CE2 3.99Å; L164-T172 HydrophobicContact CD2-CG2 3.75Å; L164-V173 HydrophobicContact CD1-CG2 3.57Å; L164-V173 HydrophobicContact CD2-CG2 3.77Å; L164-V173 HydrophobicContact CG-CG2 4.34Å; L164-V182 HydrophobicContact CD1-CB 4.35Å; L164-V182 HydrophobicContact CD1-CG1 3.8Å; L164-V182 HydrophobicContact CD1-CG2 3.62Å; L164-A218 PolarHBondContact N-O 3.26Å; L164-V219 HydrophobicContact CB-CG2 3.52Å; L164-V219 HydrophobicContact CD1-CG2 4.37Å
165	T	93.3	Very high	81.1	Confident	29 Å²	29	63.8 Å²	63.8	18%	0.178	36%	0.358	C	S	.	.			trans	-132.4	166.5	-172.2	65.6	0	0	0	0	109	D167 N168 F169	T165-D167 PolarHBondContact O-N 3.47Å; T165-D167 VanDerWaalsContact O-N 3.13Å; T165-D167 PolarHBondContact OG1-N 2.93Å; T165-N168 PolarHBondContact N-OD1 3.12Å; T165-N168 PolarHBondContact O-N 3.43Å; T165-N168 PolarHBondContact O-OD1 2.76Å; T165-N168 VanDerWaalsContact OG1-CG 3.28Å; T165-N168 PolarHBondContact OG1-N 3.44Å; T165-N168 PolarHBondContact OG1-OD1 2.93Å; T165-F169 WeakPolarHBondContact O-CB 3.31Å; T165-F169 PolarHBondContact O-N 3.35Å; T165-F169 VanDerWaalsContact O-N 3.12Å
166	D	86.6	Confident	83.8	Confident	49 Å²	49	61.1 Å²	61.1	26%	0.262	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.9	174.7	-69.7	-35.8	0	0	0	112.8	H224 V226 V227	D166-H224 PolarHBondContact N-ND1 2.81Å; D166-H224 VanDerWaalsContact OD2-CA 3.23Å; D166-H224 WeakPolarHBondContact OD2-CA 3.49Å; D166-H224 IonicContact OD2-ND1 2.75Å; D166-V226 HydrophobicContact CB-CB 4.38Å; D166-V226 WeakPolarHBondContact OD1-CB 3.21Å; D166-V226 PolarHBondContact OD1-N 3.19Å; D166-V227 WeakPolarHBondContact OD1-CB 3.4Å; D166-V227 VanDerWaalsContact OD1-CG1 3.3Å; D166-V227 WeakPolarHBondContact OD1-CG1 3.31Å; D166-V227 PolarHBondContact OD1-N 2.91Å
167	D	91.6	Very high	86.2	Confident	155 Å²	155	64.4 Å²	64.4	83%	0.829	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-31	-175.6	-63	-29.6	0	0	0	113.5	T165	T165-D167 PolarHBondContact O-N 3.47Å; T165-D167 VanDerWaalsContact O-N 3.13Å; T165-D167 PolarHBondContact OG1-N 2.93Å
168	N	93	Very high	88.8	Confident	44 Å²	44	63.7 Å²	63.7	24%	0.235	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-8.9	-172.5	75.9	0.5	0	0	0	114.4	E163 L164 T165 D170 T172	E163-N168 PolarHBondContact O-ND2 2.9Å; E163-N168 VanDerWaalsContact O-ND2 3.17Å; L164-N168 WeakPolarHBondContact CA-OD1 3.3Å; T165-N168 PolarHBondContact N-OD1 3.12Å; T165-N168 PolarHBondContact O-N 3.43Å; T165-N168 PolarHBondContact O-OD1 2.76Å; T165-N168 VanDerWaalsContact OG1-CG 3.28Å; T165-N168 PolarHBondContact OG1-N 3.44Å; T165-N168 PolarHBondContact OG1-OD1 2.93Å; N168-D170 PolarHBondContact O-N 3Å; N168-T172 WeakPolarHBondContact O-CB 3.32Å; N168-T172 PolarHBondContact O-N 3.04Å; N168-T172 PolarHBondContact O-OG1 2.03Å
169	F	95.7	Very high	90.6	Very high	1 Å²	1	60.5 Å²	60.5	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-49.6	-171.4	-168.9	-84.3	0	0	0	112.3	L164 T165 E171 T172 V173 L174 V182 F184 V219 V227 Y231 F242	L164-F169 HydrophobicContact CB-CD2 4.08Å; L164-F169 HydrophobicContact CD1-CD2 4.05Å; L164-F169 HydrophobicContact CD1-CE2 3.99Å; T165-F169 WeakPolarHBondContact O-CB 3.31Å; T165-F169 PolarHBondContact O-N 3.35Å; T165-F169 VanDerWaalsContact O-N 3.12Å; F169-E171 PolarHBondContact O-N 3.36Å; F169-T172 PolarHBondContact O-N 2.91Å; F169-V173 HydrophobicContact CD1-CB 4.21Å; F169-V173 HydrophobicContact CD1-CG2 4.45Å; F169-V173 HydrophobicContact CD2-CG2 4.16Å; F169-V173 HydrophobicContact CE1-CB 3.97Å; F169-V173 HydrophobicContact CE1-CG1 4.02Å; F169-V173 HydrophobicContact CE1-CG2 4.33Å; F169-V173 HydrophobicContact CE2-CG2 4.06Å; F169-V173 HydrophobicContact CG-CG2 4.35Å; F169-V173 HydrophobicContact CZ-CB 4.15Å; F169-V173 HydrophobicContact CZ-CG1 3.98Å; F169-V173 HydrophobicContact CZ-CG2 4.14Å; F169-V173 WeakPolarHBondContact O-CA 2.99Å; F169-V173 VanDerWaalsContact O-CB 3.25Å; F169-V173 WeakPolarHBondContact O-CB 3.25Å; F169-V173 PolarHBondContact O-N 2.73Å; F169-L174 HydrophobicContact CD1-CG 4.39Å; F169-L174 HydrophobicContact CE1-CD2 4.22Å; F169-L174 HydrophobicContact CE1-CG 4.29Å; F169-V182 HydrophobicContact CE2-CG1 4.17Å; F169-V182 HydrophobicContact CE2-CG2 4.24Å; F169-V182 HydrophobicContact CZ-CG2 4.46Å; F169-F184 HydrophobicContact CE2-CZ 4.32Å; F169-V219 HydrophobicContact CD2-CG2 4.18Å; F169-V219 HydrophobicContact CE2-CG2 4.18Å; F169-V227 HydrophobicContact CB-CG2 4.17Å; F169-V227 HydrophobicContact CD1-CG2 3.88Å; F169-V227 HydrophobicContact CD2-CG2 3.57Å; F169-V227 HydrophobicContact CE1-CG2 4.15Å; F169-V227 HydrophobicContact CE2-CG2 3.84Å; F169-V227 HydrophobicContact CG-CG2 3.59Å; F169-V227 HydrophobicContact CZ-CG2 4.14Å; F169-Y231 HydrophobicContact CD1-CE2 4.2Å; F169-Y231 AromaticContact CE1-CE2 3.52Å; F169-Y231 HydrophobicContact CE1-CE2 3.52Å; F169-Y231 AromaticContact CE1-CZ 3.94Å; F169-Y231 HydrophobicContact CZ-CD2 4.48Å; F169-Y231 AromaticContact CZ-CE2 3.83Å; F169-Y231 HydrophobicContact CZ-CE2 3.83Å; F169-F242 HydrophobicContact CE1-CD1 4.35Å; F169-F242 HydrophobicContact CE1-CE1 4.01Å; F169-F242 HydrophobicContact CE1-CZ 4.35Å; F169-F242 HydrophobicContact CZ-CD1 4.22Å; F169-F242 HydrophobicContact CZ-CD2 4.46Å; F169-F242 AromaticContact CZ-CE1 3.74Å; F169-F242 HydrophobicContact CZ-CE1 3.74Å; F169-F242 HydrophobicContact CZ-CE2 4.01Å; F169-F242 AromaticContact CZ-CZ 3.63Å; F169-F242 HydrophobicContact CZ-CZ 3.63Å
170	D	92.9	Very high	92.2	Very high	62 Å²	62	53 Å²	53	33%	0.332	28%	0.28	S	S	.	.	I	π-helix	trans	-66.1	-43.6	-173.6	-67.7	-6.4	0	0	0	111.2	N168 L174 N175 R230	N168-D170 PolarHBondContact O-N 3Å; D170-L174 HydrophobicContact CB-CD1 4.25Å; D170-L174 WeakPolarHBondContact O-CB 3.47Å; D170-L174 PolarHBondContact O-N 2.86Å; D170-L174 VanDerWaalsContact O-N 3.11Å; D170-L174 WeakPolarHBondContact OD1-CD1 3.13Å; D170-N175 PolarHBondContact O-N 2.96Å; D170-R230 VanDerWaalsContact CG-NH1 3.27Å; D170-R230 IonicContact OD1-CZ 3.69Å; D170-R230 IonicContact OD1-NH1 3.5Å; D170-R230 PolarHBondContact OD1-NH1 3.44Å; D170-R230 IonicContact OD2-CZ 2.59Å; D170-R230 IonicContact OD2-NH1 2.77Å; D170-R230 PolarHBondContact OD2-NH1 3.09Å; D170-R230 IonicContact OD2-NH2 2.96Å; D170-R230 PolarHBondContact OD2-NH2 2.86Å
171	E	92.8	Very high	92.6	Very high	149 Å²	149	51.5 Å²	51.5	70%	0.696	27%	0.272	S	S	*	.	I	π-helix	trans	-66.3	-42.3	176.5	-174.1	179.6	-176.3	0	0	112.2	F169	F169-E171 PolarHBondContact O-N 3.36Å
172	T	93	Very high	92.8	Very high	32 Å²	32	50 Å²	50	20%	0.196	26%	0.263	C	S	.	.	I	π-helix	trans	-81.2	-37.7	-172.2	-55.5	0	0	0	0	112.5	V162 L164 N168 F169 S176 W180	V162-T172 HydrophobicContact CG1-CG2 4.34Å; L164-T172 HydrophobicContact CD2-CG2 3.75Å; N168-T172 WeakPolarHBondContact O-CB 3.32Å; N168-T172 PolarHBondContact O-N 3.04Å; N168-T172 PolarHBondContact O-OG1 2.03Å; F169-T172 PolarHBondContact O-N 2.91Å; T172-S176 WeakPolarHBondContact O-CB 3.3Å; T172-W180 HydrophobicContact CG2-CH2 3.51Å; T172-W180 HydrophobicContact CG2-CZ2 3.51Å; T172-W180 HydrophobicContact CG2-CZ3 4.49Å; T172-W180 VanDerWaalsContact O-CZ2 3.26Å; T172-W180 WeakPolarHBondContact O-CZ2 3.36Å; T172-W180 PolarHBondContact O-NE1 3.35Å
173	V	95.1	Very high	92.9	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.018	26%	0.255	C	S	.	.	I	π-helix	trans	-103.8	-52.5	-171.8	-178.5	0	0	0	0	111.6	L164 F169 W180 V182 F242	L164-V173 HydrophobicContact CD1-CG2 3.57Å; L164-V173 HydrophobicContact CD2-CG2 3.77Å; L164-V173 HydrophobicContact CG-CG2 4.34Å; F169-V173 HydrophobicContact CD1-CB 4.21Å; F169-V173 HydrophobicContact CD1-CG2 4.45Å; F169-V173 HydrophobicContact CD2-CG2 4.16Å; F169-V173 HydrophobicContact CE1-CB 3.97Å; F169-V173 HydrophobicContact CE1-CG1 4.02Å; F169-V173 HydrophobicContact CE1-CG2 4.33Å; F169-V173 HydrophobicContact CE2-CG2 4.06Å; F169-V173 HydrophobicContact CG-CG2 4.35Å; F169-V173 HydrophobicContact CZ-CB 4.15Å; F169-V173 HydrophobicContact CZ-CG1 3.98Å; F169-V173 HydrophobicContact CZ-CG2 4.14Å; F169-V173 WeakPolarHBondContact O-CA 2.99Å; F169-V173 VanDerWaalsContact O-CB 3.25Å; F169-V173 WeakPolarHBondContact O-CB 3.25Å; F169-V173 PolarHBondContact O-N 2.73Å; V173-W180 HydrophobicContact CB-CG 4.36Å; V173-W180 HydrophobicContact CG1-CB 3.82Å; V173-W180 HydrophobicContact CG1-CG 3.87Å; V173-W180 HydrophobicContact CG2-CD2 4.08Å; V173-W180 HydrophobicContact CG2-CE3 4.31Å; V173-W180 HydrophobicContact CG2-CG 4.27Å; V173-V182 HydrophobicContact CG2-CG2 4.46Å; V173-F242 HydrophobicContact CG1-CB 3.57Å; V173-F242 HydrophobicContact CG1-CD1 4.13Å; V173-F242 HydrophobicContact CG1-CD2 4.17Å; V173-F242 HydrophobicContact CG1-CG 3.7Å
174	L	91.8	Very high	93.1	Very high	61 Å²	61	42.2 Å²	42.2	32%	0.319	22%	0.224	S	C	.	.	I	π-helix	trans	-79.8	-33.5	-170.6	-56.5	-178.3	0	0	0	113	F169 D170 S176 F242	F169-L174 HydrophobicContact CD1-CG 4.39Å; F169-L174 HydrophobicContact CE1-CD2 4.22Å; F169-L174 HydrophobicContact CE1-CG 4.29Å; D170-L174 HydrophobicContact CB-CD1 4.25Å; D170-L174 WeakPolarHBondContact O-CB 3.47Å; D170-L174 PolarHBondContact O-N 2.86Å; D170-L174 VanDerWaalsContact O-N 3.11Å; D170-L174 WeakPolarHBondContact OD1-CD1 3.13Å; L174-S176 VanDerWaalsContact C-N 3.33Å; L174-F242 HydrophobicContact CD2-CD1 4.07Å
175	N	89.3	Confident	93.1	Very high	116 Å²	116	44.4 Å²	44.4	62%	0.62	23%	0.234	S	C	*	.	S	Bend	trans	-87.8	-2.5	177.9	-67.5	-19	0	0	0	113.5	D170	D170-N175 PolarHBondContact O-N 2.96Å
176	S	88.1	Confident	92.8	Very high	16 Å²	16	43 Å²	43	11%	0.112	23%	0.225	C	C	.	.			trans	-79.5	141.7	178.7	163.4	0	0	0	0	111.7	T172 L174 D178 W180	T172-S176 WeakPolarHBondContact O-CB 3.3Å; L174-S176 VanDerWaalsContact C-N 3.33Å; S176-D178 VanDerWaalsContact C-N 3.28Å; S176-D178 WeakPolarHBondContact OG-CB 3.25Å; S176-D178 PolarHBondContact OG-N 3.31Å; S176-D178 PolarHBondContact OG-O 2.92Å; S176-W180 PolarHBondContact OG-NE1 3.24Å; S176-W180 VanDerWaalsContact OG-NE1 3.09Å
177	D	86	Confident	92.4	Very high	123 Å²	123	43.8 Å²	43.8	66%	0.658	23%	0.233	S	C	*	.	S	Bend	trans	-80.5	-10.6	168.8	-66.4	-47.4	0	0	0	112.7	K244	D177-K244 WeakPolarHBondContact OD1-CD 3.28Å; D177-K244 WeakPolarHBondContact OD1-CE 3.28Å; D177-K244 IonicContact OD1-NZ 2.63Å; D177-K244 PolarHBondContact OD1-NZ 3.36Å
178	D	91.4	Very high	91.7	Very high	33 Å²	33	44.6 Å²	44.6	18%	0.176	23%	0.225	C	C	.	.	S	Bend	trans	-82.6	153.9	176.8	-51.9	-38.9	0	0	0	111.7	S176 W180 K213 R215	S176-D178 VanDerWaalsContact C-N 3.28Å; S176-D178 WeakPolarHBondContact OG-CB 3.25Å; S176-D178 PolarHBondContact OG-N 3.31Å; S176-D178 PolarHBondContact OG-O 2.92Å; D178-W180 VanDerWaalsContact O-CD1 3.29Å; D178-K213 WeakPolarHBondContact CB-O 3.37Å; D178-K213 WeakPolarHBondContact OD1-CD 3.32Å; D178-K213 IonicContact OD1-NZ 2.63Å; D178-R215 HydrophobicContact CB-CG 4.48Å
179	V	93.7	Very high	91.3	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.03	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.3	174.7	-175.9	0	0	0	0	110.2	K213 V214 R215 V241 R243 L267 N271	V179-K213 PolarHBondContact N-O 3.43Å; V179-V214 HydrophobicContact CB-CG1 4.45Å; V179-V214 HydrophobicContact CB-CG2 4.18Å; V179-V214 CarbonylContact O-C 3.53Å; V179-V214 VanDerWaalsContact O-CA 3.31Å; V179-V214 WeakPolarHBondContact O-CA 3.23Å; V179-R215 PolarHBondContact O-N 3.49Å; V179-V241 HydrophobicContact CG1-CG1 4.04Å; V179-R243 HydrophobicContact CG1-CG 4.02Å; V179-R243 HydrophobicContact CG2-CG 4.35Å; V179-L267 HydrophobicContact CG1-CB 4.18Å; V179-L267 HydrophobicContact CG1-CD1 4.37Å; V179-N271 HydrophobicContact CG2-CB 3.43Å; V179-N271 VanDerWaalsContact CG2-CB 3.43Å; V179-N271 WeakPolarHBondContact CG2-ND2 3.48Å
180	W	96.8	Very high	90.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.9	-178.2	-75.4	87.9	0	0	0	112.2	V162 T172 V173 S176 D178 V182 R215 V241 F242	V162-W180 HydrophobicContact CB-CH2 3.94Å; V162-W180 HydrophobicContact CB-CZ3 3.82Å; V162-W180 HydrophobicContact CG1-CH2 4.06Å; V162-W180 HydrophobicContact CG1-CZ3 4.33Å; V162-W180 HydrophobicContact CG2-CH2 3.78Å; V162-W180 HydrophobicContact CG2-CZ3 3.9Å; T172-W180 HydrophobicContact CG2-CH2 3.51Å; T172-W180 HydrophobicContact CG2-CZ2 3.51Å; T172-W180 HydrophobicContact CG2-CZ3 4.49Å; T172-W180 VanDerWaalsContact O-CZ2 3.26Å; T172-W180 WeakPolarHBondContact O-CZ2 3.36Å; T172-W180 PolarHBondContact O-NE1 3.35Å; V173-W180 HydrophobicContact CB-CG 4.36Å; V173-W180 HydrophobicContact CG1-CB 3.82Å; V173-W180 HydrophobicContact CG1-CG 3.87Å; V173-W180 HydrophobicContact CG2-CD2 4.08Å; V173-W180 HydrophobicContact CG2-CE3 4.31Å; V173-W180 HydrophobicContact CG2-CG 4.27Å; S176-W180 PolarHBondContact OG-NE1 3.24Å; S176-W180 VanDerWaalsContact OG-NE1 3.09Å; D178-W180 VanDerWaalsContact O-CD1 3.29Å; W180-V182 HydrophobicContact CB-CG2 4.29Å; W180-R215 WeakPolarHBondContact CA-O 3.47Å; W180-R215 HydrophobicContact CD2-CB 3.81Å; W180-R215 HydrophobicContact CE3-CB 3.67Å; W180-R215 HydrophobicContact CH2-CB 3.95Å; W180-R215 VanDerWaalsContact CH2-CZ 3.43Å; W180-R215 HydrophobicContact CZ2-CB 4.05Å; W180-R215 HydrophobicContact CZ2-CG 4.42Å; W180-R215 HydrophobicContact CZ3-CB 3.73Å; W180-V241 CarbonylContact O-C 3.48Å; W180-V241 WeakPolarHBondContact O-CA 3.2Å; W180-F242 HydrophobicContact CB-CB 4.16Å; W180-F242 PolarHBondContact N-O 2.96Å; W180-F242 PolarHBondContact O-N 3.14Å
181	L	97.4	Very high	90.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.5	160.1	-63.1	91.3	0	0	0	107.9	W199 V214 R215 L216 G217 K240 V241 Y251 A264 L267	L181-W199 HydrophobicContact CB-CH2 3.78Å; L181-W199 HydrophobicContact CB-CZ2 4.14Å; L181-V214 HydrophobicContact CD1-CG1 3.41Å; L181-V214 VanDerWaalsContact CD1-CG1 3.41Å; L181-R215 PolarHBondContact N-O 3.11Å; L181-L216 HydrophobicContact CB-CG 4.26Å; L181-L216 HydrophobicContact CD1-CD1 4.11Å; L181-L216 CarbonylContact O-C 3.5Å; L181-L216 VanDerWaalsContact O-CA 3.3Å; L181-L216 WeakPolarHBondContact O-CA 3.28Å; L181-G217 PolarHBondContact O-N 2.79Å; L181-K240 WeakPolarHBondContact CA-O 3.44Å; L181-V241 HydrophobicContact CG-CG2 4.39Å; L181-Y251 HydrophobicContact CD2-CD2 4.08Å; L181-Y251 HydrophobicContact CD2-CE2 4.24Å; L181-A264 HydrophobicContact CD1-CB 4.17Å; L181-L267 HydrophobicContact CD1-CD1 3.91Å; L181-L267 HydrophobicContact CD2-CD1 4.15Å; L181-L267 HydrophobicContact CG-CD1 4.02Å
182	V	97.8	Very high	90.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.1	-178.5	-177.4	0	0	0	0	110.3	L164 F169 V173 W180 F184 G217 V219 I239 K240 F242	L164-V182 HydrophobicContact CD1-CB 4.35Å; L164-V182 HydrophobicContact CD1-CG1 3.8Å; L164-V182 HydrophobicContact CD1-CG2 3.62Å; F169-V182 HydrophobicContact CE2-CG1 4.17Å; F169-V182 HydrophobicContact CE2-CG2 4.24Å; F169-V182 HydrophobicContact CZ-CG2 4.46Å; V173-V182 HydrophobicContact CG2-CG2 4.46Å; W180-V182 HydrophobicContact CB-CG2 4.29Å; V182-F184 HydrophobicContact CB-CE2 4.22Å; V182-F184 HydrophobicContact CG1-CD2 4.32Å; V182-F184 HydrophobicContact CG1-CE2 3.91Å; V182-F184 HydrophobicContact CG1-CZ 4.13Å; V182-G217 WeakPolarHBondContact CA-O 3.45Å; V182-V219 HydrophobicContact CG1-CG2 3.71Å; V182-I239 WeakPolarHBondContact O-CA 3.49Å; V182-K240 PolarHBondContact N-O 3.27Å; V182-K240 PolarHBondContact O-N 2.84Å; V182-F242 HydrophobicContact CB-CD2 4.21Å; V182-F242 HydrophobicContact CB-CE2 3.82Å; V182-F242 HydrophobicContact CG2-CD2 3.74Å; V182-F242 HydrophobicContact CG2-CE2 3.8Å
183	E	97.3	Very high	89.8	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124	169	-173.6	-167.9	-179.6	0	0	110.2	F185 L195 W199 G217 A218 V219 P237 I239	E183-F185 HydrophobicContact CG-CB 4.21Å; E183-L195 HydrophobicContact CG-CD2 4.16Å; E183-L195 WeakPolarHBondContact OE1-CD2 3.44Å; E183-W199 HydrophobicContact CB-CD2 4.33Å; E183-W199 HydrophobicContact CB-CH2 4.47Å; E183-W199 HydrophobicContact CB-CZ2 3.9Å; E183-G217 PolarHBondContact N-O 2.95Å; E183-A218 CarbonylContact O-C 3.57Å; E183-A218 WeakPolarHBondContact O-CA 3.35Å; E183-V219 PolarHBondContact O-N 3.05Å; E183-P237 HydrophobicContact CG-CB 4.15Å; E183-P237 WeakPolarHBondContact OE1-CB 3.35Å; E183-I239 HydrophobicContact CB-CG1 4.36Å; E183-I239 HydrophobicContact CG-CG1 4.32Å
184	F	97.1	Very high	89.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.6	165.2	-63	-95.6	0	0	0	108.7	F169 V182 V219 A221 V227 Y231 I233 P237 T238 K240 F242	F169-F184 HydrophobicContact CE2-CZ 4.32Å; V182-F184 HydrophobicContact CB-CE2 4.22Å; V182-F184 HydrophobicContact CG1-CD2 4.32Å; V182-F184 HydrophobicContact CG1-CE2 3.91Å; V182-F184 HydrophobicContact CG1-CZ 4.13Å; F184-V219 HydrophobicContact CD1-CB 3.78Å; F184-V219 HydrophobicContact CD1-CG1 3.91Å; F184-V219 HydrophobicContact CD1-CG2 4.24Å; F184-V219 HydrophobicContact CE1-CB 4.02Å; F184-V219 HydrophobicContact CE1-CG1 4.1Å; F184-V219 HydrophobicContact CE1-CG2 3.99Å; F184-V219 HydrophobicContact CG-CB 4.48Å; F184-A221 HydrophobicContact CB-CB 4.45Å; F184-V227 HydrophobicContact CE1-CG1 4.29Å; F184-V227 HydrophobicContact CE1-CG2 4.28Å; F184-Y231 HydrophobicContact CZ-CD2 4.12Å; F184-I233 HydrophobicContact CB-CD1 4.2Å; F184-I233 HydrophobicContact CB-CG1 4.1Å; F184-I233 HydrophobicContact CB-CG2 3.89Å; F184-I233 HydrophobicContact CD1-CD1 4.21Å; F184-I233 HydrophobicContact CD1-CG1 3.74Å; F184-I233 HydrophobicContact CD2-CD1 3.61Å; F184-I233 HydrophobicContact CD2-CG1 4.09Å; F184-I233 HydrophobicContact CE1-CG1 4.14Å; F184-I233 HydrophobicContact CE2-CD1 3.99Å; F184-I233 HydrophobicContact CE2-CG1 4.48Å; F184-I233 HydrophobicContact CG-CD1 3.74Å; F184-I233 HydrophobicContact CG-CG1 3.7Å; F184-I233 HydrophobicContact CG-CG2 4.44Å; F184-I233 HydrophobicContact CZ-CD1 4.42Å; F184-I233 HydrophobicContact CZ-CG1 4.5Å; F184-P237 WeakPolarHBondContact O-CA 3.42Å; F184-T238 PolarHBondContact N-O 3.15Å; F184-T238 PolarHBondContact O-N 2.88Å; F184-T238 VanDerWaalsContact O-N 3.1Å; F184-K240 HydrophobicContact CE2-CB 4.29Å; F184-K240 HydrophobicContact CE2-CD 4.28Å; F184-K240 HydrophobicContact CE2-CG 4.47Å; F184-F242 HydrophobicContact CE2-CE2 4.32Å; F184-F242 HydrophobicContact CE2-CZ 4.28Å; F184-F242 HydrophobicContact CZ-CZ 4.27Å
185	F	93.9	Very high	89.3	Confident	47 Å²	47	48 Å²	48	21%	0.206	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	168.3	-171.4	80.4	-83.7	0	0	0	112.7	E183 C192 A218 V219 D220 A221	E183-F185 HydrophobicContact CG-CB 4.21Å; F185-C192 HydrophobicContact CB-CB 4.01Å; F185-A218 HydrophobicContact CD1-CB 4.2Å; F185-A218 HydrophobicContact CE1-CB 4.01Å; F185-V219 WeakPolarHBondContact CD1-O 3.45Å; F185-V219 PolarHBondContact N-O 3.3Å; F185-D220 HydrophobicContact CE1-CB 4.07Å; F185-D220 HydrophobicContact CE2-CB 4.44Å; F185-D220 HydrophobicContact CZ-CB 3.86Å; F185-A221 PolarHBondContact O-N 3.27Å
186	A	87.8	Confident	89.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.			trans	-127.6	135.9	168.4	0	0	0	0	0	110	W188 C189 T222 F236	A186-W188 HydrophobicContact CB-CD2 4.21Å; A186-W188 HydrophobicContact CB-CH2 4.37Å; A186-W188 HydrophobicContact CB-CZ2 3.84Å; A186-W188 PolarHBondContact O-N 2.86Å; A186-W188 VanDerWaalsContact O-N 3.12Å; A186-C189 HydrophobicContact CB-CB 4.22Å; A186-C189 WeakPolarHBondContact O-CB 3.31Å; A186-C189 PolarHBondContact O-N 2.95Å; A186-T222 HydrophobicContact CB-CG2 3.49Å; A186-T222 VanDerWaalsContact CB-CG2 3.49Å; A186-F236 HydrophobicContact CB-CD2 3.53Å; A186-F236 HydrophobicContact CB-CE2 3.83Å; A186-F236 HydrophobicContact CB-CG 3.99Å
187	P	78.2	Confident	89.5	Confident	65 Å²	65	47.8 Å²	47.8	42%	0.422	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.7	-170.4	24.7	-34.5	0	0	0	113.8	K193 D220	P187-K193 WeakPolarHBondContact O-CE 3.25Å; P187-D220 WeakPolarHBondContact CD-OD2 3.3Å
188	W	76.3	Confident	89.7	Confident	172 Å²	172	45.4 Å²	45.4	65%	0.652	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-11.1	176.9	47.6	-99.4	0	0	0	113.4	A186 G190 F236	A186-W188 HydrophobicContact CB-CD2 4.21Å; A186-W188 HydrophobicContact CB-CH2 4.37Å; A186-W188 HydrophobicContact CB-CZ2 3.84Å; A186-W188 PolarHBondContact O-N 2.86Å; A186-W188 VanDerWaalsContact O-N 3.12Å; W188-G190 PolarHBondContact O-N 3.38Å; W188-F236 HydrophobicContact CH2-CD2 4.35Å; W188-F236 HydrophobicContact CZ2-CE2 4.44Å
189	C	84.6	Confident	89.9	Confident	14 Å²	14	44 Å²	44	10%	0.095	23%	0.225	C	C	.	.			trans	-74.3	123.5	-176.8	177.3	0	0	0	0	111.8	A186 H191 C192 K193 F236	A186-C189 HydrophobicContact CB-CB 4.22Å; A186-C189 WeakPolarHBondContact O-CB 3.31Å; A186-C189 PolarHBondContact O-N 2.95Å; C189-H191 PolarHBondContact O-N 3.43Å; C189-C192 HydrophobicContact CB-CB 3.91Å; C189-C192 VanDerWaalsContact CB-SG 3.55Å; C189-C192 PolarHBondContact O-N 2.89Å; C189-K193 WeakPolarHBondContact O-CG 3.45Å; C189-K193 PolarHBondContact O-N 3.29Å; C189-K193 VanDerWaalsContact O-N 3.08Å; C189-F236 HydrophobicContact CB-CB 4.45Å
190	G	81.8	Confident	89.8	Confident	43 Å²	43	44 Å²	44	44%	0.443	23%	0.225	S	C	.	.	H	α-helix	trans	-62.3	-38.9	178.7	0	0	0	0	0	113.5	W188 C192 K193 N194	W188-G190 PolarHBondContact O-N 3.38Å; G190-C192 PolarHBondContact O-N 2.83Å; G190-K193 PolarHBondContact O-N 3Å; G190-N194 PolarHBondContact O-N 3.48Å; G190-N194 VanDerWaalsContact O-N 3.12Å
191	H	85.6	Confident	89.4	Confident	129 Å²	129	45.5 Å²	45.5	60%	0.597	24%	0.237	S	C	*	.	H	α-helix	trans	-67.3	-35.6	177.3	-63.9	-69.1	0	0	0	112.5	C189 N194 L195	C189-H191 PolarHBondContact O-N 3.43Å; H191-N194 PolarHBondContact O-N 2.96Å; H191-L195 PolarHBondContact O-N 2.96Å; H191-L195 VanDerWaalsContact O-N 3.09Å
192	C	88.9	Confident	89.2	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.027	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-44.2	173.8	-63.1	0	0	0	0	111.3	F185 C189 G190 N194 L195 E196	F185-C192 HydrophobicContact CB-CB 4.01Å; C189-C192 HydrophobicContact CB-CB 3.91Å; C189-C192 VanDerWaalsContact CB-SG 3.55Å; C189-C192 PolarHBondContact O-N 2.89Å; G190-C192 PolarHBondContact O-N 2.83Å; C192-N194 PolarHBondContact O-N 3.4Å; C192-L195 PolarHBondContact O-N 2.82Å; C192-L195 VanDerWaalsContact O-N 3.09Å; C192-E196 WeakPolarHBondContact O-CB 3.35Å; C192-E196 PolarHBondContact O-N 2.92Å
193	K	87.3	Confident	89	Confident	111 Å²	111	45.6 Å²	45.6	48%	0.483	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-33.5	176.5	-69.2	174.9	-176.5	177.1	0	112.8	P187 C189 G190 P197	P187-K193 WeakPolarHBondContact O-CE 3.25Å; C189-K193 WeakPolarHBondContact O-CG 3.45Å; C189-K193 PolarHBondContact O-N 3.29Å; C189-K193 VanDerWaalsContact O-N 3.08Å; G190-K193 PolarHBondContact O-N 3Å; K193-P197 VanDerWaalsContact O-CD 3.3Å; K193-P197 WeakPolarHBondContact O-CD 3.45Å
194	N	86.1	Confident	88.8	Confident	118 Å²	118	47 Å²	47	63%	0.631	25%	0.247	S	C	*	.	H	α-helix	trans	-75.5	-32.8	176.2	-68.3	-9.6	0	0	0	112.7	G190 H191 C192 P197	G190-N194 PolarHBondContact O-N 3.48Å; G190-N194 VanDerWaalsContact O-N 3.12Å; H191-N194 PolarHBondContact O-N 2.96Å; C192-N194 PolarHBondContact O-N 3.4Å; N194-P197 WeakPolarHBondContact O-CD 3.46Å
195	L	91	Very high	88.3	Confident	4 Å²	4	48 Å²	48	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-76.1	-36.7	177.9	175.2	56.4	0	0	0	112.1	E183 H191 C192 E198 W199 P237 I239 R255 I260	E183-L195 HydrophobicContact CG-CD2 4.16Å; E183-L195 WeakPolarHBondContact OE1-CD2 3.44Å; H191-L195 PolarHBondContact O-N 2.96Å; H191-L195 VanDerWaalsContact O-N 3.09Å; C192-L195 PolarHBondContact O-N 2.82Å; C192-L195 VanDerWaalsContact O-N 3.09Å; L195-E198 HydrophobicContact CD1-CB 4.44Å; L195-E198 CarbonylContact O-C 3.6Å; L195-E198 WeakPolarHBondContact O-CA 3.21Å; L195-E198 WeakPolarHBondContact O-CB 3.19Å; L195-E198 PolarHBondContact O-N 3.21Å; L195-W199 HydrophobicContact CD1-CB 4.34Å; L195-W199 HydrophobicContact CD1-CE3 4.19Å; L195-W199 HydrophobicContact CG-CB 4.31Å; L195-W199 WeakPolarHBondContact O-CB 3.38Å; L195-W199 PolarHBondContact O-N 3.27Å; L195-P237 HydrophobicContact CD2-CB 3.89Å; L195-P237 HydrophobicContact CD2-CG 3.83Å; L195-I239 HydrophobicContact CD2-CD1 3.98Å; L195-I239 HydrophobicContact CD2-CG1 4.48Å; L195-R255 HydrophobicContact CD1-CB 4.12Å; L195-R255 WeakPolarHBondContact CD1-O 3.37Å; L195-I260 HydrophobicContact CD1-CD1 3.9Å
196	E	90.3	Very high	88.2	Confident	62 Å²	62	45.8 Å²	45.8	29%	0.29	25%	0.246	S	C	.	.	H	α-helix	trans	-43.8	-49.5	-177.6	-178.6	178.4	-149.5	0	0	115.2	K158 C192 A200	K158-E196 WeakPolarHBondContact CE-OE1 3.15Å; K158-E196 IonicContact NZ-OE1 2.68Å; K158-E196 PolarHBondContact NZ-OE1 2.78Å; C192-E196 WeakPolarHBondContact O-CB 3.35Å; C192-E196 PolarHBondContact O-N 2.92Å; E196-A200 WeakPolarHBondContact O-CB 3.34Å; E196-A200 PolarHBondContact O-N 3.19Å
197	P	89.6	Confident	88.4	Confident	66 Å²	66	50.6 Å²	50.6	43%	0.429	27%	0.267	S	S	.	.	H	α-helix	trans	-67.5	-38.5	177	26	-34.8	0	0	0	113.4	K193 N194 A201	K193-P197 VanDerWaalsContact O-CD 3.3Å; K193-P197 WeakPolarHBondContact O-CD 3.45Å; N194-P197 WeakPolarHBondContact O-CD 3.46Å; P197-A201 WeakPolarHBondContact O-CB 3.26Å; P197-A201 PolarHBondContact O-N 2.9Å; P197-A201 VanDerWaalsContact O-N 3.09Å
198	E	91.1	Very high	88.7	Confident	73 Å²	73	54.9 Å²	54.9	34%	0.341	28%	0.281	S	S	.	.	H	α-helix	trans	-67	-42.1	177.8	-61.2	-63.6	139.8	0	0	110.8	L195 A201 A202 R257	L195-E198 HydrophobicContact CD1-CB 4.44Å; L195-E198 CarbonylContact O-C 3.6Å; L195-E198 WeakPolarHBondContact O-CA 3.21Å; L195-E198 WeakPolarHBondContact O-CB 3.19Å; L195-E198 PolarHBondContact O-N 3.21Å; E198-A201 PolarHBondContact O-N 2.85Å; E198-A202 VanDerWaalsContact O-CB 3.28Å; E198-A202 WeakPolarHBondContact O-CB 3.34Å; E198-A202 PolarHBondContact O-N 3.32Å; E198-R257 HydrophobicContact CB-CB 4.4Å; E198-R257 WeakPolarHBondContact OE2-CA 3.46Å; E198-R257 WeakPolarHBondContact OE2-CB 3.45Å; E198-R257 PolarHBondContact OE2-N 3.21Å
199	W	95	Very high	89	Confident	3 Å²	3	52 Å²	52	1%	0.011	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-46.3	177.4	-164.5	-107.6	0	0	0	111.8	L181 E183 L195 A202 A203 L216 G217 I239 I260	L181-W199 HydrophobicContact CB-CH2 3.78Å; L181-W199 HydrophobicContact CB-CZ2 4.14Å; E183-W199 HydrophobicContact CB-CD2 4.33Å; E183-W199 HydrophobicContact CB-CH2 4.47Å; E183-W199 HydrophobicContact CB-CZ2 3.9Å; L195-W199 HydrophobicContact CD1-CB 4.34Å; L195-W199 HydrophobicContact CD1-CE3 4.19Å; L195-W199 HydrophobicContact CG-CB 4.31Å; L195-W199 WeakPolarHBondContact O-CB 3.38Å; L195-W199 PolarHBondContact O-N 3.27Å; W199-A202 PolarHBondContact O-N 3.32Å; W199-A203 WeakPolarHBondContact O-CB 3.48Å; W199-A203 PolarHBondContact O-N 3.01Å; W199-L216 HydrophobicContact CD2-CD2 3.84Å; W199-L216 HydrophobicContact CE3-CD2 4.11Å; W199-L216 HydrophobicContact CG-CD2 4.36Å; W199-L216 HydrophobicContact CH2-CD2 4.17Å; W199-L216 HydrophobicContact CH2-CG 4.24Å; W199-L216 HydrophobicContact CZ2-CB 4.08Å; W199-L216 HydrophobicContact CZ2-CD2 3.94Å; W199-L216 HydrophobicContact CZ2-CG 3.84Å; W199-L216 HydrophobicContact CZ3-CD2 4.25Å; W199-G217 PolarHBondContact NE1-O 3.22Å; W199-I239 HydrophobicContact CE3-CD1 4.34Å; W199-I239 HydrophobicContact CH2-CD1 4.24Å; W199-I239 HydrophobicContact CH2-CG1 4.15Å; W199-I239 HydrophobicContact CH2-CG2 3.54Å; W199-I239 HydrophobicContact CZ3-CD1 3.67Å; W199-I239 HydrophobicContact CZ3-CG1 4.06Å; W199-I239 HydrophobicContact CZ3-CG2 4.04Å; W199-I260 HydrophobicContact CE3-CD1 3.73Å; W199-I260 HydrophobicContact CE3-CG1 4.33Å; W199-I260 HydrophobicContact CE3-CG2 4.22Å; W199-I260 HydrophobicContact CZ3-CD1 4.14Å; W199-I260 HydrophobicContact CZ3-CG1 4.24Å; W199-I260 HydrophobicContact CZ3-CG2 3.96Å
200	A	91.6	Very high	89	Confident	6 Å²	6	51.3 Å²	51.3	5%	0.05	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-41.6	178.2	0	0	0	0	0	112.8	K158 V161 E196 A203 T204	K158-A200 HydrophobicContact CG-CB 3.96Å; V161-A200 HydrophobicContact CG2-CB 4.13Å; E196-A200 WeakPolarHBondContact O-CB 3.34Å; E196-A200 PolarHBondContact O-N 3.19Å; A200-A203 PolarHBondContact O-N 2.94Å; A200-T204 PolarHBondContact O-N 2.77Å; A200-T204 PolarHBondContact O-OG1 2.7Å; A200-T204 VanDerWaalsContact O-OG1 3.12Å
201	A	88.6	Confident	89.1	Confident	30 Å²	30	57.4 Å²	57.4	25%	0.248	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-41.4	176	0	0	0	0	0	111.7	P197 E198 T204 A205 R257	P197-A201 WeakPolarHBondContact O-CB 3.26Å; P197-A201 PolarHBondContact O-N 2.9Å; P197-A201 VanDerWaalsContact O-N 3.09Å; E198-A201 PolarHBondContact O-N 2.85Å; A201-T204 PolarHBondContact O-N 3.17Å; A201-A205 PolarHBondContact O-N 2.85Å; A201-R257 HydrophobicContact CB-CG 4.12Å
202	A	92.7	Very high	89.2	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-43.2	174.9	0	0	0	0	0	111.4	E198 W199 T204 A205 V206 L216 R257 I260 I261	E198-A202 VanDerWaalsContact O-CB 3.28Å; E198-A202 WeakPolarHBondContact O-CB 3.34Å; E198-A202 PolarHBondContact O-N 3.32Å; W199-A202 PolarHBondContact O-N 3.32Å; A202-T204 VanDerWaalsContact C-N 3.29Å; A202-T204 PolarHBondContact O-N 2.86Å; A202-A205 PolarHBondContact O-N 3.39Å; A202-V206 VanDerWaalsContact O-CB 3.3Å; A202-V206 WeakPolarHBondContact O-CB 3.44Å; A202-V206 WeakPolarHBondContact O-CG2 3.2Å; A202-V206 PolarHBondContact O-N 3.14Å; A202-L216 HydrophobicContact CB-CD2 4.01Å; A202-R257 HydrophobicContact CB-CG 4.32Å; A202-I260 HydrophobicContact CB-CB 3.91Å; A202-I260 HydrophobicContact CB-CD1 4.49Å; A202-I260 HydrophobicContact CB-CG2 3.6Å; A202-I261 HydrophobicContact CB-CG1 4.08Å
203	A	94.8	Very high	89.2	Confident	2 Å²	2	56.9 Å²	56.9	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-42	-179.4	0	0	0	0	0	112.5	D160 V161 W199 A200 K207 L216	D160-A203 HydrophobicContact CB-CB 4.27Å; V161-A203 HydrophobicContact CB-CB 4.48Å; V161-A203 HydrophobicContact CG2-CB 3.52Å; W199-A203 WeakPolarHBondContact O-CB 3.48Å; W199-A203 PolarHBondContact O-N 3.01Å; A200-A203 PolarHBondContact O-N 2.94Å; A203-K207 VanDerWaalsContact O-CB 3.24Å; A203-K207 WeakPolarHBondContact O-CB 3.3Å; A203-K207 PolarHBondContact O-N 3.15Å; A203-L216 HydrophobicContact CB-CB 3.72Å; A203-L216 HydrophobicContact CB-CD2 4.01Å; A203-L216 HydrophobicContact CB-CG 4.36Å
204	T	91.6	Very high	89.5	Confident	38 Å²	38	51.7 Å²	51.7	23%	0.233	26%	0.262	C	S	.	.	H	α-helix	trans	-62.7	-51.8	176.4	-52.4	0	0	0	0	110.5	S157 D160 A200 A201 A202 V206 K207 E208	S157-T204 PolarHBondContact O-OG1 3.24Å; D160-T204 PolarHBondContact OD2-OG1 3.43Å; A200-T204 PolarHBondContact O-N 2.77Å; A200-T204 PolarHBondContact O-OG1 2.7Å; A200-T204 VanDerWaalsContact O-OG1 3.12Å; A201-T204 PolarHBondContact O-N 3.17Å; A202-T204 VanDerWaalsContact C-N 3.29Å; A202-T204 PolarHBondContact O-N 2.86Å; T204-V206 PolarHBondContact O-N 3.42Å; T204-K207 PolarHBondContact O-N 2.88Å; T204-E208 PolarHBondContact O-N 2.88Å; T204-E208 VanDerWaalsContact O-N 3.14Å
205	A	87.6	Confident	89.9	Confident	21 Å²	21	50.1 Å²	50.1	17%	0.174	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-41.9	-177.8	0	0	0	0	0	112.7	A201 A202 E208 Q209 I261	A201-A205 PolarHBondContact O-N 2.85Å; A202-A205 PolarHBondContact O-N 3.39Å; A205-E208 PolarHBondContact O-N 3.48Å; A205-Q209 WeakPolarHBondContact O-CB 3.46Å; A205-Q209 VanDerWaalsContact O-CG 3.28Å; A205-Q209 WeakPolarHBondContact O-CG 3.37Å; A205-Q209 PolarHBondContact O-N 2.88Å; A205-I261 HydrophobicContact CB-CD1 3.62Å; A205-I261 HydrophobicContact CB-CG1 4.13Å
206	V	92.1	Very high	90.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-45	179.7	170.6	0	0	0	0	110.7	A202 T204 E208 Q209 T210 V214 L216 I261 A264 M265	A202-V206 VanDerWaalsContact O-CB 3.3Å; A202-V206 WeakPolarHBondContact O-CB 3.44Å; A202-V206 WeakPolarHBondContact O-CG2 3.2Å; A202-V206 PolarHBondContact O-N 3.14Å; T204-V206 PolarHBondContact O-N 3.42Å; V206-E208 VanDerWaalsContact C-N 3.31Å; V206-E208 PolarHBondContact O-N 3.17Å; V206-Q209 PolarHBondContact O-N 3.21Å; V206-T210 HydrophobicContact CG1-CG2 4.2Å; V206-T210 WeakPolarHBondContact O-CB 3.3Å; V206-T210 WeakPolarHBondContact O-CG2 3.36Å; V206-T210 PolarHBondContact O-N 2.8Å; V206-T210 PolarHBondContact O-OG1 2.69Å; V206-V214 HydrophobicContact CG1-CB 3.68Å; V206-V214 HydrophobicContact CG1-CG1 3.8Å; V206-V214 WeakPolarHBondContact CG1-O 3.3Å; V206-L216 HydrophobicContact CB-CD1 4.1Å; V206-L216 HydrophobicContact CG1-CD1 3.95Å; V206-L216 HydrophobicContact CG2-CD1 4.25Å; V206-I261 HydrophobicContact CG2-CB 4.47Å; V206-I261 HydrophobicContact CG2-CG1 4.06Å; V206-A264 HydrophobicContact CB-CB 4.29Å; V206-A264 HydrophobicContact CG1-CB 3.72Å; V206-A264 HydrophobicContact CG2-CB 3.47Å; V206-A264 VanDerWaalsContact CG2-CB 3.47Å; V206-M265 HydrophobicContact CB-CE 4.31Å; V206-M265 HydrophobicContact CG1-CE 4.12Å; V206-M265 HydrophobicContact CG2-CE 4.02Å
207	K	91.1	Very high	90.6	Very high	101 Å²	101	47 Å²	47	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-60.1	-42.7	177.7	-178.7	-178	174.1	-179.2	0	111.7	D160 A203 T204 K211 G212	D160-K207 HydrophobicContact CB-CD 3.96Å; D160-K207 WeakPolarHBondContact OD1-CD 3.35Å; D160-K207 WeakPolarHBondContact OD1-CE 3.43Å; D160-K207 IonicContact OD1-NZ 2.73Å; D160-K207 PolarHBondContact OD1-NZ 2.98Å; A203-K207 VanDerWaalsContact O-CB 3.24Å; A203-K207 WeakPolarHBondContact O-CB 3.3Å; A203-K207 PolarHBondContact O-N 3.15Å; T204-K207 PolarHBondContact O-N 2.88Å; K207-K211 CarbonylContact O-C 3.47Å; K207-K211 WeakPolarHBondContact O-CA 3.18Å; K207-K211 PolarHBondContact O-N 2.82Å; K207-G212 PolarHBondContact O-N 3.4Å
208	E	85.2	Confident	90.9	Very high	156 Å²	156	44.5 Å²	44.5	73%	0.729	22%	0.218	S	C	*	.	H	α-helix	trans	-65.6	-50.3	177.6	-173.6	174.7	-170.6	0	0	111.7	T204 A205 V206 T210 K211	T204-E208 PolarHBondContact O-N 2.88Å; T204-E208 VanDerWaalsContact O-N 3.14Å; A205-E208 PolarHBondContact O-N 3.48Å; V206-E208 VanDerWaalsContact C-N 3.31Å; V206-E208 PolarHBondContact O-N 3.17Å; E208-T210 PolarHBondContact O-N 3.14Å; E208-K211 PolarHBondContact O-N 3.18Å
209	Q	81.8	Confident	91.1	Very high	110 Å²	110	41 Å²	41	51%	0.514	20%	0.202	S	C	.	.	H	α-helix	trans	-69.4	-33.9	-175.6	-71.1	177.5	45.2	0	0	113.5	A205 V206 M265	A205-Q209 WeakPolarHBondContact O-CB 3.46Å; A205-Q209 VanDerWaalsContact O-CG 3.28Å; A205-Q209 WeakPolarHBondContact O-CG 3.37Å; A205-Q209 PolarHBondContact O-N 2.88Å; V206-Q209 PolarHBondContact O-N 3.21Å; Q209-M265 HydrophobicContact CB-CE 4.21Å; Q209-M265 HydrophobicContact CB-SD 3.99Å
210	T	84.8	Confident	91	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	4.3	-179.8	66.8	0	0	0	0	113.1	V206 E208 G212 K213 V214 M265 F268	V206-T210 HydrophobicContact CG1-CG2 4.2Å; V206-T210 WeakPolarHBondContact O-CB 3.3Å; V206-T210 WeakPolarHBondContact O-CG2 3.36Å; V206-T210 PolarHBondContact O-N 2.8Å; V206-T210 PolarHBondContact O-OG1 2.69Å; E208-T210 PolarHBondContact O-N 3.14Å; T210-G212 PolarHBondContact O-N 3.4Å; T210-G212 VanDerWaalsContact O-N 3.14Å; T210-K213 VanDerWaalsContact O-CB 3.3Å; T210-K213 WeakPolarHBondContact O-CB 3.48Å; T210-K213 WeakPolarHBondContact O-CG 3.32Å; T210-K213 PolarHBondContact O-N 2.91Å; T210-K213 PolarHBondContact OG1-N 3.36Å; T210-V214 HydrophobicContact CG2-CB 4.02Å; T210-V214 HydrophobicContact CG2-CG2 3.95Å; T210-V214 PolarHBondContact OG1-N 3.47Å; T210-V214 VanDerWaalsContact OG1-N 3.09Å; T210-V214 PolarHBondContact OG1-O 2.93Å; T210-M265 HydrophobicContact CG2-CE 3.39Å; T210-M265 HydrophobicContact CG2-SD 4.01Å; T210-F268 HydrophobicContact CG2-CB 3.82Å; T210-F268 HydrophobicContact CG2-CD1 3.94Å; T210-F268 HydrophobicContact CG2-CD2 4Å; T210-F268 HydrophobicContact CG2-CG 3.63Å
211	K	84.6	Confident	90.9	Very high	170 Å²	170	42.5 Å²	42.5	74%	0.739	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	35.4	-171.7	-57	-179.8	-178.9	177.8	0	112	K207 E208 D292	K207-K211 CarbonylContact O-C 3.47Å; K207-K211 WeakPolarHBondContact O-CA 3.18Å; K207-K211 PolarHBondContact O-N 2.82Å; E208-K211 PolarHBondContact O-N 3.18Å; K211-D292 IonicContact NZ-OD2 3.9Å
212	G	86.8	Confident	90.5	Very high	16 Å²	16	43.5 Å²	43.5	17%	0.165	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	2.7	179.7	0	0	0	0	0	116.4	K207 T210 V214 R215	K207-G212 PolarHBondContact O-N 3.4Å; T210-G212 PolarHBondContact O-N 3.4Å; T210-G212 VanDerWaalsContact O-N 3.14Å; G212-V214 VanDerWaalsContact C-N 3.29Å; G212-V214 PolarHBondContact O-N 3.46Å; G212-R215 VanDerWaalsContact O-CG 3.31Å; G212-R215 WeakPolarHBondContact O-CG 3.16Å
213	K	89.3	Confident	90.2	Very high	107 Å²	107	48 Å²	48	47%	0.465	24%	0.24	S	C	.	.	S	Bend	trans	-74.5	-16.3	-179.5	-66.2	-58.5	-171.9	-179.3	0	114.9	D178 V179 T210 F268	D178-K213 WeakPolarHBondContact CB-O 3.37Å; D178-K213 WeakPolarHBondContact OD1-CD 3.32Å; D178-K213 IonicContact OD1-NZ 2.63Å; V179-K213 PolarHBondContact N-O 3.43Å; T210-K213 VanDerWaalsContact O-CB 3.3Å; T210-K213 WeakPolarHBondContact O-CB 3.48Å; T210-K213 WeakPolarHBondContact O-CG 3.32Å; T210-K213 PolarHBondContact O-N 2.91Å; T210-K213 PolarHBondContact OG1-N 3.36Å; K213-F268 HydrophobicContact CB-CD2 3.65Å; K213-F268 HydrophobicContact CB-CE2 3.38Å; K213-F268 HydrophobicContact CG-CE2 3.82Å
214	V	93.9	Very high	89.9	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.6	165.6	-174.3	0	0	0	0	108.7	V179 L181 V206 T210 G212 A264 F268	V179-V214 HydrophobicContact CB-CG1 4.45Å; V179-V214 HydrophobicContact CB-CG2 4.18Å; V179-V214 CarbonylContact O-C 3.53Å; V179-V214 VanDerWaalsContact O-CA 3.31Å; V179-V214 WeakPolarHBondContact O-CA 3.23Å; L181-V214 HydrophobicContact CD1-CG1 3.41Å; L181-V214 VanDerWaalsContact CD1-CG1 3.41Å; V206-V214 HydrophobicContact CG1-CB 3.68Å; V206-V214 HydrophobicContact CG1-CG1 3.8Å; V206-V214 WeakPolarHBondContact CG1-O 3.3Å; T210-V214 HydrophobicContact CG2-CB 4.02Å; T210-V214 HydrophobicContact CG2-CG2 3.95Å; T210-V214 PolarHBondContact OG1-N 3.47Å; T210-V214 VanDerWaalsContact OG1-N 3.09Å; T210-V214 PolarHBondContact OG1-O 2.93Å; G212-V214 VanDerWaalsContact C-N 3.29Å; G212-V214 PolarHBondContact O-N 3.46Å; V214-A264 HydrophobicContact CG1-CB 3.96Å; V214-F268 HydrophobicContact CG2-CB 3.52Å; V214-F268 HydrophobicContact CG2-CD2 4.04Å; V214-F268 HydrophobicContact CG2-CG 4.18Å
215	R	95.4	Very high	89.8	Confident	85 Å²	85	53.5 Å²	53.5	32%	0.321	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.4	-172.9	-60	-178.8	68.3	-176	-1.5	110.7	D178 V179 W180 L181 G212	D178-R215 HydrophobicContact CB-CG 4.48Å; V179-R215 PolarHBondContact O-N 3.49Å; W180-R215 WeakPolarHBondContact CA-O 3.47Å; W180-R215 HydrophobicContact CD2-CB 3.81Å; W180-R215 HydrophobicContact CE3-CB 3.67Å; W180-R215 HydrophobicContact CH2-CB 3.95Å; W180-R215 VanDerWaalsContact CH2-CZ 3.43Å; W180-R215 HydrophobicContact CZ2-CB 4.05Å; W180-R215 HydrophobicContact CZ2-CG 4.42Å; W180-R215 HydrophobicContact CZ3-CB 3.73Å; L181-R215 PolarHBondContact N-O 3.11Å; G212-R215 VanDerWaalsContact O-CG 3.31Å; G212-R215 WeakPolarHBondContact O-CG 3.16Å
216	L	97.5	Very high	89.8	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.6	176.9	-83	68.8	0	0	0	109	V161 V162 L181 W199 A202 A203 V206 I260	V161-L216 WeakPolarHBondContact CA-O 3.46Å; V162-L216 PolarHBondContact N-O 2.97Å; L181-L216 HydrophobicContact CB-CG 4.26Å; L181-L216 HydrophobicContact CD1-CD1 4.11Å; L181-L216 CarbonylContact O-C 3.5Å; L181-L216 VanDerWaalsContact O-CA 3.3Å; L181-L216 WeakPolarHBondContact O-CA 3.28Å; W199-L216 HydrophobicContact CD2-CD2 3.84Å; W199-L216 HydrophobicContact CE3-CD2 4.11Å; W199-L216 HydrophobicContact CG-CD2 4.36Å; W199-L216 HydrophobicContact CH2-CD2 4.17Å; W199-L216 HydrophobicContact CH2-CG 4.24Å; W199-L216 HydrophobicContact CZ2-CB 4.08Å; W199-L216 HydrophobicContact CZ2-CD2 3.94Å; W199-L216 HydrophobicContact CZ2-CG 3.84Å; W199-L216 HydrophobicContact CZ3-CD2 4.25Å; A202-L216 HydrophobicContact CB-CD2 4.01Å; A203-L216 HydrophobicContact CB-CB 3.72Å; A203-L216 HydrophobicContact CB-CD2 4.01Å; A203-L216 HydrophobicContact CB-CG 4.36Å; V206-L216 HydrophobicContact CB-CD1 4.1Å; V206-L216 HydrophobicContact CG1-CD1 3.95Å; V206-L216 HydrophobicContact CG2-CD1 4.25Å; L216-I260 HydrophobicContact CD2-CG2 3.8Å
217	G	97.1	Very high	89.8	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	161.4	176.3	0	0	0	0	0	112	V162 L181 V182 E183 W199	V162-G217 CarbonylContact O-C 3.51Å; V162-G217 WeakPolarHBondContact O-CA 3.1Å; L181-G217 PolarHBondContact O-N 2.79Å; V182-G217 WeakPolarHBondContact CA-O 3.45Å; E183-G217 PolarHBondContact N-O 2.95Å; W199-G217 PolarHBondContact NE1-O 3.22Å
218	A	96.6	Very high	89.8	Confident	13 Å²	13	52.5 Å²	52.5	11%	0.107	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	133.7	173.3	0	0	0	0	0	110.5	V161 V162 L164 E183 F185	V161-A218 HydrophobicContact CG1-CB 3.77Å; V162-A218 PolarHBondContact O-N 2.97Å; L164-A218 PolarHBondContact N-O 3.26Å; E183-A218 CarbonylContact O-C 3.57Å; E183-A218 WeakPolarHBondContact O-CA 3.35Å; F185-A218 HydrophobicContact CD1-CB 4.2Å; F185-A218 HydrophobicContact CE1-CB 4.01Å
219	V	96.1	Very high	90.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.7	176.4	177.7	0	0	0	0	108.6	L164 F169 V182 E183 F184 F185 A221 H224 V227	L164-V219 HydrophobicContact CB-CG2 3.52Å; L164-V219 HydrophobicContact CD1-CG2 4.37Å; F169-V219 HydrophobicContact CD2-CG2 4.18Å; F169-V219 HydrophobicContact CE2-CG2 4.18Å; V182-V219 HydrophobicContact CG1-CG2 3.71Å; E183-V219 PolarHBondContact O-N 3.05Å; F184-V219 HydrophobicContact CD1-CB 3.78Å; F184-V219 HydrophobicContact CD1-CG1 3.91Å; F184-V219 HydrophobicContact CD1-CG2 4.24Å; F184-V219 HydrophobicContact CE1-CB 4.02Å; F184-V219 HydrophobicContact CE1-CG1 4.1Å; F184-V219 HydrophobicContact CE1-CG2 3.99Å; F184-V219 HydrophobicContact CG-CB 4.48Å; F185-V219 WeakPolarHBondContact CD1-O 3.45Å; F185-V219 PolarHBondContact N-O 3.3Å; V219-A221 PolarHBondContact O-N 2.83Å; V219-A221 VanDerWaalsContact O-N 3.11Å; V219-H224 HydrophobicContact CG1-CB 3.86Å; V219-V227 HydrophobicContact CG1-CG1 3.65Å
220	D	91.9	Very high	90.7	Very high	31 Å²	31	50.2 Å²	50.2	17%	0.166	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	99.2	166	-172.2	-24.3	0	0	0	109	F185 P187 T222 V223 H224	F185-D220 HydrophobicContact CE1-CB 4.07Å; F185-D220 HydrophobicContact CE2-CB 4.44Å; F185-D220 HydrophobicContact CZ-CB 3.86Å; P187-D220 WeakPolarHBondContact CD-OD2 3.3Å; D220-T222 PolarHBondContact O-N 3.32Å; D220-T222 WeakPolarHBondContact OD1-CA 3.31Å; D220-T222 VanDerWaalsContact OD1-CB 3.32Å; D220-T222 WeakPolarHBondContact OD1-CB 3.37Å; D220-T222 PolarHBondContact OD1-N 2.92Å; D220-T222 PolarHBondContact OD1-OG1 2.97Å; D220-V223 PolarHBondContact O-N 3.35Å; D220-H224 PolarHBondContact O-N 2.67Å
221	A	89.3	Confident	91.2	Very high	9 Å²	9	52 Å²	52	7%	0.074	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8	-176.8	0	0	0	0	0	113.5	F184 F185 V219 S228 F236	F184-A221 HydrophobicContact CB-CB 4.45Å; F185-A221 PolarHBondContact O-N 3.27Å; V219-A221 PolarHBondContact O-N 2.83Å; V219-A221 VanDerWaalsContact O-N 3.11Å; A221-S228 VanDerWaalsContact CA-OG 3.3Å; A221-S228 WeakPolarHBondContact CA-OG 3.48Å; A221-S228 WeakPolarHBondContact CB-OG 3.46Å; A221-F236 HydrophobicContact CB-CD1 4.29Å; A221-F236 HydrophobicContact CB-CE1 3.32Å; A221-F236 HydrophobicContact CB-CZ 3.74Å
222	T	81.1	Confident	91.6	Very high	50 Å²	50	46 Å²	46	31%	0.307	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-24.9	173.1	72.1	0	0	0	0	112.2	A186 D220	A186-T222 HydrophobicContact CB-CG2 3.49Å; A186-T222 VanDerWaalsContact CB-CG2 3.49Å; D220-T222 PolarHBondContact O-N 3.32Å; D220-T222 WeakPolarHBondContact OD1-CA 3.31Å; D220-T222 VanDerWaalsContact OD1-CB 3.32Å; D220-T222 WeakPolarHBondContact OD1-CB 3.37Å; D220-T222 PolarHBondContact OD1-N 2.92Å; D220-T222 PolarHBondContact OD1-OG1 2.97Å
223	V	86.8	Confident	91.9	Very high	94 Å²	94	46.5 Å²	46.5	57%	0.57	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-49	177.6	-179	0	0	0	0	110.5	D220 Q225	D220-V223 PolarHBondContact O-N 3.35Å; V223-Q225 PolarHBondContact O-N 3.28Å
224	H	88.4	Confident	92	Very high	31 Å²	31	53 Å²	53	14%	0.144	27%	0.271	C	S	.	.			trans	-94.8	75.5	-172.9	-60.7	-57.5	0	0	0	111.7	D166 V219 D220 V227 S228	D166-H224 PolarHBondContact N-ND1 2.81Å; D166-H224 VanDerWaalsContact OD2-CA 3.23Å; D166-H224 WeakPolarHBondContact OD2-CA 3.49Å; D166-H224 IonicContact OD2-ND1 2.75Å; V219-H224 HydrophobicContact CG1-CB 3.86Å; D220-H224 PolarHBondContact O-N 2.67Å; H224-V227 HydrophobicContact CB-CG1 4.02Å; H224-S228 WeakPolarHBondContact O-CB 3.47Å; H224-S228 PolarHBondContact O-N 2.87Å; H224-S228 PolarHBondContact O-OG 3.1Å
225	Q	88	Confident	91.7	Very high	126 Å²	126	54.5 Å²	54.5	59%	0.589	29%	0.287	S	S	*	.	H	α-helix	trans	-78.4	-23.2	-172.2	-63.6	-173.3	3.9	0	0	113.2	V223 S229	V223-Q225 PolarHBondContact O-N 3.28Å; Q225-S229 WeakPolarHBondContact O-CB 3.47Å; Q225-S229 PolarHBondContact O-N 2.86Å; Q225-S229 PolarHBondContact O-OG 2.91Å
226	V	89.1	Confident	91.6	Very high	90 Å²	90	53.4 Å²	53.4	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-68.2	-54.6	-177.5	178	0	0	0	0	109.9	D166 S228 S229 R230	D166-V226 HydrophobicContact CB-CB 4.38Å; D166-V226 WeakPolarHBondContact OD1-CB 3.21Å; D166-V226 PolarHBondContact OD1-N 3.19Å; V226-S228 VanDerWaalsContact C-N 3.32Å; V226-S228 PolarHBondContact O-N 3.33Å; V226-S229 PolarHBondContact O-N 3.18Å; V226-R230 WeakPolarHBondContact O-CB 3.32Å; V226-R230 PolarHBondContact O-N 3.09Å
227	V	91.9	Very high	91.3	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-63.7	-38.9	177.5	70.7	0	0	0	0	111.6	D166 F169 F184 V219 H224 S229 R230 Y231	D166-V227 WeakPolarHBondContact OD1-CB 3.4Å; D166-V227 VanDerWaalsContact OD1-CG1 3.3Å; D166-V227 WeakPolarHBondContact OD1-CG1 3.31Å; D166-V227 PolarHBondContact OD1-N 2.91Å; F169-V227 HydrophobicContact CB-CG2 4.17Å; F169-V227 HydrophobicContact CD1-CG2 3.88Å; F169-V227 HydrophobicContact CD2-CG2 3.57Å; F169-V227 HydrophobicContact CE1-CG2 4.15Å; F169-V227 HydrophobicContact CE2-CG2 3.84Å; F169-V227 HydrophobicContact CG-CG2 3.59Å; F169-V227 HydrophobicContact CZ-CG2 4.14Å; F184-V227 HydrophobicContact CE1-CG1 4.29Å; F184-V227 HydrophobicContact CE1-CG2 4.28Å; V219-V227 HydrophobicContact CG1-CG1 3.65Å; H224-V227 HydrophobicContact CB-CG1 4.02Å; V227-S229 PolarHBondContact O-N 2.94Å; V227-R230 WeakPolarHBondContact O-CB 3.24Å; V227-R230 PolarHBondContact O-N 3.45Å; V227-Y231 HydrophobicContact CG2-CD2 3.84Å; V227-Y231 HydrophobicContact CG2-CE2 3.68Å; V227-Y231 VanDerWaalsContact O-CD2 3.24Å; V227-Y231 WeakPolarHBondContact O-CD2 3.36Å; V227-Y231 PolarHBondContact O-N 2.92Å
228	S	91.1	Very high	91.3	Very high	8 Å²	8	55 Å²	55	6%	0.056	29%	0.294	C	S	.	.	H	α-helix	trans	-66	-40.4	179.9	-59.7	0	0	0	0	112.2	A221 H224 V226 G232 I233	A221-S228 VanDerWaalsContact CA-OG 3.3Å; A221-S228 WeakPolarHBondContact CA-OG 3.48Å; A221-S228 WeakPolarHBondContact CB-OG 3.46Å; H224-S228 WeakPolarHBondContact O-CB 3.47Å; H224-S228 PolarHBondContact O-N 2.87Å; H224-S228 PolarHBondContact O-OG 3.1Å; V226-S228 VanDerWaalsContact C-N 3.32Å; V226-S228 PolarHBondContact O-N 3.33Å; S228-G232 PolarHBondContact O-N 2.88Å; S228-I233 WeakPolarHBondContact O-CG1 3.16Å; S228-I233 PolarHBondContact O-N 3.47Å
229	S	91.5	Very high	91.3	Very high	91 Å²	91	54.8 Å²	54.8	64%	0.636	29%	0.292	S	S	*	.	H	α-helix	trans	-70.3	-40.7	176.1	-58.9	0	0	0	0	111.4	Q225 V226 V227 Y231 G232	Q225-S229 WeakPolarHBondContact O-CB 3.47Å; Q225-S229 PolarHBondContact O-N 2.86Å; Q225-S229 PolarHBondContact O-OG 2.91Å; V226-S229 PolarHBondContact O-N 3.18Å; V227-S229 PolarHBondContact O-N 2.94Å; S229-Y231 VanDerWaalsContact C-N 3.25Å; S229-Y231 PolarHBondContact O-N 2.91Å; S229-G232 PolarHBondContact O-N 2.6Å
230	R	94.1	Very high	91.3	Very high	126 Å²	126	56 Å²	56	48%	0.475	30%	0.297	S	S	.	.	H	α-helix	trans	-54.4	-42.2	178	-174	-171.4	-66.6	-177.7	-0.8	111.8	D170 V226 V227	D170-R230 VanDerWaalsContact CG-NH1 3.27Å; D170-R230 IonicContact OD1-CZ 3.69Å; D170-R230 IonicContact OD1-NH1 3.5Å; D170-R230 PolarHBondContact OD1-NH1 3.44Å; D170-R230 IonicContact OD2-CZ 2.59Å; D170-R230 IonicContact OD2-NH1 2.77Å; D170-R230 PolarHBondContact OD2-NH1 3.09Å; D170-R230 IonicContact OD2-NH2 2.96Å; D170-R230 PolarHBondContact OD2-NH2 2.86Å; V226-R230 WeakPolarHBondContact O-CB 3.32Å; V226-R230 PolarHBondContact O-N 3.09Å; V227-R230 WeakPolarHBondContact O-CB 3.24Å; V227-R230 PolarHBondContact O-N 3.45Å
231	Y	94.4	Very high	91.6	Very high	38 Å²	38	54.6 Å²	54.6	15%	0.149	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	13.9	-179.9	-59.4	-62.2	0	0	0	114.1	F169 F184 V227 S229 I233 K240 F242 P248	F169-Y231 HydrophobicContact CD1-CE2 4.2Å; F169-Y231 AromaticContact CE1-CE2 3.52Å; F169-Y231 HydrophobicContact CE1-CE2 3.52Å; F169-Y231 AromaticContact CE1-CZ 3.94Å; F169-Y231 HydrophobicContact CZ-CD2 4.48Å; F169-Y231 AromaticContact CZ-CE2 3.83Å; F169-Y231 HydrophobicContact CZ-CE2 3.83Å; F184-Y231 HydrophobicContact CZ-CD2 4.12Å; V227-Y231 HydrophobicContact CG2-CD2 3.84Å; V227-Y231 HydrophobicContact CG2-CE2 3.68Å; V227-Y231 VanDerWaalsContact O-CD2 3.24Å; V227-Y231 WeakPolarHBondContact O-CD2 3.36Å; V227-Y231 PolarHBondContact O-N 2.92Å; S229-Y231 VanDerWaalsContact C-N 3.25Å; S229-Y231 PolarHBondContact O-N 2.91Å; Y231-I233 PolarHBondContact O-N 3.29Å; Y231-K240 WeakPolarHBondContact O-CE 3.37Å; Y231-F242 HydrophobicContact CD1-CE1 4.1Å; Y231-F242 HydrophobicContact CD1-CZ 4.47Å; Y231-F242 HydrophobicContact CD2-CE1 4.2Å; Y231-F242 HydrophobicContact CD2-CZ 4.14Å; Y231-F242 AromaticContact CE1-CE1 3.77Å; Y231-F242 HydrophobicContact CE1-CE1 3.77Å; Y231-F242 AromaticContact CE2-CE1 3.86Å; Y231-F242 HydrophobicContact CE2-CE1 3.86Å; Y231-F242 HydrophobicContact CE2-CZ 4.17Å; Y231-F242 HydrophobicContact CG-CE1 4.31Å; Y231-F242 HydrophobicContact CG-CZ 4.29Å; Y231-F242 AromaticContact CZ-CE1 3.63Å; Y231-P248 HydrophobicContact CD1-CG 3.91Å; Y231-P248 HydrophobicContact CE1-CG 3.66Å
232	G	92.9	Very high	91.9	Very high	46 Å²	46	54.3 Å²	54.3	47%	0.474	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	35.1	170.6	0	0	0	0	0	114.6	S228 S229 R234	S228-G232 PolarHBondContact O-N 2.88Å; S229-G232 PolarHBondContact O-N 2.6Å; G232-R234 PolarHBondContact O-N 2.68Å
233	I	94.1	Very high	92.4	Very high	25 Å²	25	53.5 Å²	53.5	13%	0.128	28%	0.278	C	S	.	.			trans	-71.1	117	-179.1	-52.3	-58.2	0	0	0	110.2	F184 S228 Y231 F236 T238 K240	F184-I233 HydrophobicContact CB-CD1 4.2Å; F184-I233 HydrophobicContact CB-CG1 4.1Å; F184-I233 HydrophobicContact CB-CG2 3.89Å; F184-I233 HydrophobicContact CD1-CD1 4.21Å; F184-I233 HydrophobicContact CD1-CG1 3.74Å; F184-I233 HydrophobicContact CD2-CD1 3.61Å; F184-I233 HydrophobicContact CD2-CG1 4.09Å; F184-I233 HydrophobicContact CE1-CG1 4.14Å; F184-I233 HydrophobicContact CE2-CD1 3.99Å; F184-I233 HydrophobicContact CE2-CG1 4.48Å; F184-I233 HydrophobicContact CG-CD1 3.74Å; F184-I233 HydrophobicContact CG-CG1 3.7Å; F184-I233 HydrophobicContact CG-CG2 4.44Å; F184-I233 HydrophobicContact CZ-CD1 4.42Å; F184-I233 HydrophobicContact CZ-CG1 4.5Å; S228-I233 WeakPolarHBondContact O-CG1 3.16Å; S228-I233 PolarHBondContact O-N 3.47Å; Y231-I233 PolarHBondContact O-N 3.29Å; I233-F236 HydrophobicContact CG2-CD1 4.19Å; I233-F236 HydrophobicContact CG2-CE1 3.72Å; I233-T238 HydrophobicContact CD1-CG2 3.78Å; I233-K240 HydrophobicContact CD1-CD 4.09Å
234	R	90.1	Very high	92.4	Very high	244 Å²	244	54.5 Å²	54.5	92%	0.921	28%	0.275	S	S	*	.			trans	-115	-8	-176.5	-66.4	177.7	-175.5	-177.4	1.7	114.4	G232	G232-R234 PolarHBondContact O-N 2.68Å
235	G	89.2	Confident	92.1	Very high	32 Å²	32	57.1 Å²	57.1	33%	0.33	31%	0.31	S	S	.	.	S	Bend	trans	-160.3	165	-176.3	0	0	0	0	0	111.8	T238	G235-T238 PolarHBondContact O-OG1 3.5Å
236	F	91.4	Very high	92.1	Very high	62 Å²	62	56 Å²	56	27%	0.272	31%	0.305	S	S	.	.	S	Bend	trans	-130.4	144.5	-172.9	-50.7	-58.3	0	0	0	112.7	A186 W188 C189 A221 I233	A186-F236 HydrophobicContact CB-CD2 3.53Å; A186-F236 HydrophobicContact CB-CE2 3.83Å; A186-F236 HydrophobicContact CB-CG 3.99Å; W188-F236 HydrophobicContact CH2-CD2 4.35Å; W188-F236 HydrophobicContact CZ2-CE2 4.44Å; C189-F236 HydrophobicContact CB-CB 4.45Å; A221-F236 HydrophobicContact CB-CD1 4.29Å; A221-F236 HydrophobicContact CB-CE1 3.32Å; A221-F236 HydrophobicContact CB-CZ 3.74Å; I233-F236 HydrophobicContact CG2-CD1 4.19Å; I233-F236 HydrophobicContact CG2-CE1 3.72Å
237	P	92.8	Very high	92.1	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.019	32%	0.315	C	S	.	.	S	Bend	cis	-72.9	145.4	-13.9	28.3	-30.8	0	0	0	110.7	E183 F184 L195 R255	E183-P237 HydrophobicContact CG-CB 4.15Å; E183-P237 WeakPolarHBondContact OE1-CB 3.35Å; F184-P237 WeakPolarHBondContact O-CA 3.42Å; L195-P237 HydrophobicContact CD2-CB 3.89Å; L195-P237 HydrophobicContact CD2-CG 3.83Å; P237-R255 PolarHBondContact O-NH2 2.58Å
238	T	95.6	Very high	92.2	Very high	33 Å²	33	61 Å²	61	20%	0.202	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.4	167.4	-65.7	0	0	0	0	107.9	F184 I233 G235 K240	F184-T238 PolarHBondContact N-O 3.15Å; F184-T238 PolarHBondContact O-N 2.88Å; F184-T238 VanDerWaalsContact O-N 3.1Å; I233-T238 HydrophobicContact CD1-CG2 3.78Å; G235-T238 PolarHBondContact O-OG1 3.5Å; T238-K240 HydrophobicContact CG2-CG 4.47Å
239	I	97.5	Very high	92.3	Very high	9 Å²	9	65 Å²	65	5%	0.046	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.8	178.5	-58.9	157.9	0	0	0	108	V182 E183 L195 W199 Y251	V182-I239 WeakPolarHBondContact O-CA 3.49Å; E183-I239 HydrophobicContact CB-CG1 4.36Å; E183-I239 HydrophobicContact CG-CG1 4.32Å; L195-I239 HydrophobicContact CD2-CD1 3.98Å; L195-I239 HydrophobicContact CD2-CG1 4.48Å; W199-I239 HydrophobicContact CE3-CD1 4.34Å; W199-I239 HydrophobicContact CH2-CD1 4.24Å; W199-I239 HydrophobicContact CH2-CG1 4.15Å; W199-I239 HydrophobicContact CH2-CG2 3.54Å; W199-I239 HydrophobicContact CZ3-CD1 3.67Å; W199-I239 HydrophobicContact CZ3-CG1 4.06Å; W199-I239 HydrophobicContact CZ3-CG2 4.04Å; I239-Y251 HydrophobicContact CB-CD1 4.25Å; I239-Y251 HydrophobicContact CB-CG 4.09Å; I239-Y251 HydrophobicContact CD1-CD1 3.99Å; I239-Y251 HydrophobicContact CD1-CE1 4.28Å; I239-Y251 HydrophobicContact CG2-CD1 4.44Å; I239-Y251 HydrophobicContact CG2-CD2 4.31Å; I239-Y251 HydrophobicContact CG2-CG 3.9Å; I239-Y251 VanDerWaalsContact O-CB 3.31Å; I239-Y251 WeakPolarHBondContact O-CB 3.47Å; I239-Y251 PolarHBondContact O-N 3.26Å
240	K	97	Very high	92.4	Very high	24 Å²	24	65 Å²	65	10%	0.104	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.7	175.3	-73.3	-176.3	174.3	-67.1	0	111.4	L181 V182 F184 Y231 I233 T238 F242 E249 D250	L181-K240 WeakPolarHBondContact CA-O 3.44Å; V182-K240 PolarHBondContact N-O 3.27Å; V182-K240 PolarHBondContact O-N 2.84Å; F184-K240 HydrophobicContact CE2-CB 4.29Å; F184-K240 HydrophobicContact CE2-CD 4.28Å; F184-K240 HydrophobicContact CE2-CG 4.47Å; Y231-K240 WeakPolarHBondContact O-CE 3.37Å; I233-K240 HydrophobicContact CD1-CD 4.09Å; T238-K240 HydrophobicContact CG2-CG 4.47Å; K240-F242 HydrophobicContact CB-CD2 4.34Å; K240-F242 HydrophobicContact CB-CE2 3.51Å; K240-F242 HydrophobicContact CB-CZ 3.9Å; K240-F242 HydrophobicContact CD-CZ 4.3Å; K240-E249 CarbonylContact C-O 3.54Å; K240-E249 VanDerWaalsContact CA-O 3.26Å; K240-E249 WeakPolarHBondContact CA-O 3.36Å; K240-D250 IonicContact NZ-OD1 2.74Å; K240-D250 PolarHBondContact NZ-OD1 3.3Å; K240-D250 IonicContact NZ-OD2 3.73Å
241	V	96.6	Very high	92.4	Very high	2 Å²	2	60 Å²	60	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.1	175.8	-176.5	0	0	0	0	108.8	V179 W180 L181 P248 E249 L267	V179-V241 HydrophobicContact CG1-CG1 4.04Å; W180-V241 CarbonylContact O-C 3.48Å; W180-V241 WeakPolarHBondContact O-CA 3.2Å; L181-V241 HydrophobicContact CG-CG2 4.39Å; V241-P248 WeakPolarHBondContact O-CA 3.38Å; V241-E249 HydrophobicContact CB-CB 4.5Å; V241-E249 PolarHBondContact N-O 3.18Å; V241-E249 PolarHBondContact O-N 3.03Å; V241-L267 HydrophobicContact CB-CD1 4.45Å; V241-L267 HydrophobicContact CG1-CD1 3.65Å; V241-L267 HydrophobicContact CG1-CD2 3.8Å; V241-L267 HydrophobicContact CG1-CG 4.37Å; V241-L267 HydrophobicContact CG2-CD1 3.88Å
242	F	95.5	Very high	91.8	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.5	179.5	-61.5	-99	0	0	0	109.8	F169 V173 L174 W180 V182 F184 Y231 K240 P248	F169-F242 HydrophobicContact CE1-CD1 4.35Å; F169-F242 HydrophobicContact CE1-CE1 4.01Å; F169-F242 HydrophobicContact CE1-CZ 4.35Å; F169-F242 HydrophobicContact CZ-CD1 4.22Å; F169-F242 HydrophobicContact CZ-CD2 4.46Å; F169-F242 AromaticContact CZ-CE1 3.74Å; F169-F242 HydrophobicContact CZ-CE1 3.74Å; F169-F242 HydrophobicContact CZ-CE2 4.01Å; F169-F242 AromaticContact CZ-CZ 3.63Å; F169-F242 HydrophobicContact CZ-CZ 3.63Å; V173-F242 HydrophobicContact CG1-CB 3.57Å; V173-F242 HydrophobicContact CG1-CD1 4.13Å; V173-F242 HydrophobicContact CG1-CD2 4.17Å; V173-F242 HydrophobicContact CG1-CG 3.7Å; L174-F242 HydrophobicContact CD2-CD1 4.07Å; W180-F242 HydrophobicContact CB-CB 4.16Å; W180-F242 PolarHBondContact N-O 2.96Å; W180-F242 PolarHBondContact O-N 3.14Å; V182-F242 HydrophobicContact CB-CD2 4.21Å; V182-F242 HydrophobicContact CB-CE2 3.82Å; V182-F242 HydrophobicContact CG2-CD2 3.74Å; V182-F242 HydrophobicContact CG2-CE2 3.8Å; F184-F242 HydrophobicContact CE2-CE2 4.32Å; F184-F242 HydrophobicContact CE2-CZ 4.28Å; F184-F242 HydrophobicContact CZ-CZ 4.27Å; Y231-F242 HydrophobicContact CD1-CE1 4.1Å; Y231-F242 HydrophobicContact CD1-CZ 4.47Å; Y231-F242 HydrophobicContact CD2-CE1 4.2Å; Y231-F242 HydrophobicContact CD2-CZ 4.14Å; Y231-F242 AromaticContact CE1-CE1 3.77Å; Y231-F242 HydrophobicContact CE1-CE1 3.77Å; Y231-F242 AromaticContact CE2-CE1 3.86Å; Y231-F242 HydrophobicContact CE2-CE1 3.86Å; Y231-F242 HydrophobicContact CE2-CZ 4.17Å; Y231-F242 HydrophobicContact CG-CE1 4.31Å; Y231-F242 HydrophobicContact CG-CZ 4.29Å; Y231-F242 AromaticContact CZ-CE1 3.63Å; K240-F242 HydrophobicContact CB-CD2 4.34Å; K240-F242 HydrophobicContact CB-CE2 3.51Å; K240-F242 HydrophobicContact CB-CZ 3.9Å; K240-F242 HydrophobicContact CD-CZ 4.3Å; F242-P248 HydrophobicContact CD1-CB 3.8Å; F242-P248 HydrophobicContact CD1-CG 3.66Å; F242-P248 HydrophobicContact CE1-CB 3.58Å; F242-P248 HydrophobicContact CE1-CG 3.47Å; F242-P248 VanDerWaalsContact CE1-CG 3.47Å; F242-P248 HydrophobicContact CG-CB 4.47Å; F242-P248 HydrophobicContact CZ-CB 4.07Å; F242-P248 HydrophobicContact CZ-CG 4.38Å
243	R	91.6	Very high	91.5	Very high	32 Å²	32	65.3 Å²	65.3	12%	0.121	34%	0.343	C	S	.	.			trans	-133.7	147.1	177	-64.3	-179.2	-65.3	-100.3	8.4	108.8	V179 G245 E246 E249 N271	V179-R243 HydrophobicContact CG1-CG 4.02Å; V179-R243 HydrophobicContact CG2-CG 4.35Å; R243-G245 PolarHBondContact O-N 2.86Å; R243-E246 HydrophobicContact CB-CB 4.21Å; R243-E246 HydrophobicContact CB-CG 4.49Å; R243-E246 IonicContact CZ-OE2 2.81Å; R243-E246 IonicContact NE-OE1 3.6Å; R243-E246 IonicContact NE-OE2 3.8Å; R243-E246 PolarHBondContact NE-OE2 3.46Å; R243-E246 IonicContact NH2-OE2 3.41Å; R243-E246 PolarHBondContact NH2-OE2 3.43Å; R243-E246 PolarHBondContact O-N 3.45Å; R243-E249 IonicContact CZ-OE1 2.75Å; R243-E249 IonicContact CZ-OE2 2.68Å; R243-E249 IonicContact NH1-OE1 2.62Å; R243-E249 IonicContact NH1-OE2 2.59Å; R243-E249 PolarHBondContact NH1-OE2 3.01Å; R243-E249 IonicContact NH2-OE1 3.99Å; R243-E249 PolarHBondContact NH2-OE1 3.22Å; R243-E249 IonicContact NH2-OE2 2.73Å; R243-E249 PolarHBondContact NH2-OE2 3.48Å; R243-E249 VanDerWaalsContact NH2-OE2 3.14Å; R243-N271 VanDerWaalsContact CD-ND2 3.29Å; R243-N271 WeakPolarHBondContact CD-ND2 3.45Å; R243-N271 WeakPolarHBondContact CD-OD1 3.08Å
244	K	87.4	Confident	91.3	Very high	116 Å²	116	65.7 Å²	65.7	50%	0.504	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	121.6	-176.3	-174.6	171.5	176.7	170.6	0	110.7	D177 E246	D177-K244 WeakPolarHBondContact OD1-CD 3.28Å; D177-K244 WeakPolarHBondContact OD1-CE 3.28Å; D177-K244 IonicContact OD1-NZ 2.63Å; D177-K244 PolarHBondContact OD1-NZ 3.36Å; K244-E246 VanDerWaalsContact C-N 3.3Å; K244-E246 PolarHBondContact O-N 2.95Å
245	G	82.8	Confident	91.3	Very high	86 Å²	86	59.7 Å²	59.7	89%	0.887	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	7.3	177	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 2.86Å
246	E	86.9	Confident	91.3	Very high	102 Å²	102	61.6 Å²	61.6	48%	0.477	34%	0.335	S	S	.	.	S	Bend	trans	-115.6	157.3	176.1	-65.7	-177.2	-149.6	0	0	111.8	R243 K244	R243-E246 HydrophobicContact CB-CB 4.21Å; R243-E246 HydrophobicContact CB-CG 4.49Å; R243-E246 IonicContact CZ-OE2 2.81Å; R243-E246 IonicContact NE-OE1 3.6Å; R243-E246 IonicContact NE-OE2 3.8Å; R243-E246 PolarHBondContact NE-OE2 3.46Å; R243-E246 IonicContact NH2-OE2 3.41Å; R243-E246 PolarHBondContact NH2-OE2 3.43Å; R243-E246 PolarHBondContact O-N 3.45Å; K244-E246 VanDerWaalsContact C-N 3.3Å; K244-E246 PolarHBondContact O-N 2.95Å
247	E	89	Confident	91.2	Very high	165 Å²	165	65.1 Å²	65.1	77%	0.771	35%	0.347	S	S	*	.			trans	-69.8	140	173.7	-72.2	-63.4	150.3	0	0	111.1	E249	E247-E249 PolarHBondContact O-N 2.8Å
248	P	93.7	Very high	90.7	Very high	34 Å²	34	67 Å²	67	22%	0.221	37%	0.366	C	S	.	.			trans	-64.5	135.5	-180	-19.8	30.9	0	0	0	112.8	Y231 V241 F242	Y231-P248 HydrophobicContact CD1-CG 3.91Å; Y231-P248 HydrophobicContact CE1-CG 3.66Å; V241-P248 WeakPolarHBondContact O-CA 3.38Å; F242-P248 HydrophobicContact CD1-CB 3.8Å; F242-P248 HydrophobicContact CD1-CG 3.66Å; F242-P248 HydrophobicContact CE1-CB 3.58Å; F242-P248 HydrophobicContact CE1-CG 3.47Å; F242-P248 VanDerWaalsContact CE1-CG 3.47Å; F242-P248 HydrophobicContact CG-CB 4.47Å; F242-P248 HydrophobicContact CZ-CB 4.07Å; F242-P248 HydrophobicContact CZ-CG 4.38Å
249	E	93.8	Very high	90.4	Very high	92 Å²	92	68 Å²	68	43%	0.43	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	146.6	-179.5	-69.6	177.2	171.7	0	0	112.2	K240 V241 R243 E247	K240-E249 CarbonylContact C-O 3.54Å; K240-E249 VanDerWaalsContact CA-O 3.26Å; K240-E249 WeakPolarHBondContact CA-O 3.36Å; V241-E249 HydrophobicContact CB-CB 4.5Å; V241-E249 PolarHBondContact N-O 3.18Å; V241-E249 PolarHBondContact O-N 3.03Å; R243-E249 IonicContact CZ-OE1 2.75Å; R243-E249 IonicContact CZ-OE2 2.68Å; R243-E249 IonicContact NH1-OE1 2.62Å; R243-E249 IonicContact NH1-OE2 2.59Å; R243-E249 PolarHBondContact NH1-OE2 3.01Å; R243-E249 IonicContact NH2-OE1 3.99Å; R243-E249 PolarHBondContact NH2-OE1 3.22Å; R243-E249 IonicContact NH2-OE2 2.73Å; R243-E249 PolarHBondContact NH2-OE2 3.48Å; R243-E249 VanDerWaalsContact NH2-OE2 3.14Å; E247-E249 PolarHBondContact O-N 2.8Å
250	D	93.9	Very high	90.3	Very high	90 Å²	90	67.6 Å²	67.6	48%	0.481	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	131.3	170.6	-74.8	-32.3	0	0	0	111	K240 Q252	K240-D250 IonicContact NZ-OD1 2.74Å; K240-D250 PolarHBondContact NZ-OD1 3.3Å; K240-D250 IonicContact NZ-OD2 3.73Å; D250-Q252 PolarHBondContact O-N 3.39Å
251	Y	93.2	Very high	90	Very high	20 Å²	20	67.9 Å²	67.9	8%	0.078	37%	0.37	C	S	.	.			trans	-66.4	117.3	174.1	173.7	-93.2	0	0	0	110.8	L181 I239 G253 G254 K263	L181-Y251 HydrophobicContact CD2-CD2 4.08Å; L181-Y251 HydrophobicContact CD2-CE2 4.24Å; I239-Y251 HydrophobicContact CB-CD1 4.25Å; I239-Y251 HydrophobicContact CB-CG 4.09Å; I239-Y251 HydrophobicContact CD1-CD1 3.99Å; I239-Y251 HydrophobicContact CD1-CE1 4.28Å; I239-Y251 HydrophobicContact CG2-CD1 4.44Å; I239-Y251 HydrophobicContact CG2-CD2 4.31Å; I239-Y251 HydrophobicContact CG2-CG 3.9Å; I239-Y251 VanDerWaalsContact O-CB 3.31Å; I239-Y251 WeakPolarHBondContact O-CB 3.47Å; I239-Y251 PolarHBondContact O-N 3.26Å; Y251-G253 VanDerWaalsContact CE1-C 3.44Å; Y251-G253 VanDerWaalsContact CE1-O 3.3Å; Y251-G253 WeakPolarHBondContact CE1-O 3.44Å; Y251-G254 VanDerWaalsContact CE1-O 3.31Å; Y251-G254 WeakPolarHBondContact CE1-O 3.29Å; Y251-G254 PolarHBondContact OH-O 3.08Å; Y251-K263 HydrophobicContact CD2-CG 3.89Å; Y251-K263 HydrophobicContact CE2-CB 3.72Å; Y251-K263 HydrophobicContact CE2-CG 3.5Å
252	Q	83.6	Confident	89.5	Confident	152 Å²	152	73.7 Å²	73.7	71%	0.71	40%	0.397	S	S	*	.			trans	-108.7	93.1	173.6	-56.4	-56.3	-45.3	0	0	108.7	D250	D250-Q252 PolarHBondContact O-N 3.39Å
253	G	85.5	Confident	89.4	Confident	45 Å²	45	76.2 Å²	76.2	46%	0.464	41%	0.409	S	S	.	.	S	Bend	trans	-172.3	172.8	-178.5	0	0	0	0	0	112.4	Y251	Y251-G253 VanDerWaalsContact CE1-C 3.44Å; Y251-G253 VanDerWaalsContact CE1-O 3.3Å; Y251-G253 WeakPolarHBondContact CE1-O 3.44Å
254	G	89.3	Confident	89.4	Confident	32 Å²	32	74.7 Å²	74.7	33%	0.33	40%	0.403	S	S	.	.			trans	-68.7	163.7	173.5	0	0	0	0	0	112.1	Y251 D259	Y251-G254 VanDerWaalsContact CE1-O 3.31Å; Y251-G254 WeakPolarHBondContact CE1-O 3.29Å; Y251-G254 PolarHBondContact OH-O 3.08Å; G254-D259 VanDerWaalsContact CA-OD2 3.24Å; G254-D259 WeakPolarHBondContact CA-OD2 3.47Å; G254-D259 WeakPolarHBondContact O-CB 3.2Å
255	R	91.2	Very high	89.4	Confident	119 Å²	119	71.1 Å²	71.1	45%	0.449	39%	0.388	S	S	.	.	S	Bend	trans	-105.9	14.4	-176.3	-72.1	180	-177.1	177.4	-6.1	112.8	L195 P237	L195-R255 HydrophobicContact CD1-CB 4.12Å; L195-R255 WeakPolarHBondContact CD1-O 3.37Å; P237-R255 PolarHBondContact O-NH2 2.58Å
256	T	89.9	Confident	89.6	Confident	72 Å²	72	70.9 Å²	70.9	44%	0.442	37%	0.367	S	S	.	.	S	Bend	trans	-84.8	157.8	173.2	76.6	0	0	0	0	109.9	G258 D259 I260	T256-G258 PolarHBondContact O-N 2.61Å; T256-D259 WeakPolarHBondContact CB-OD2 3.19Å; T256-D259 WeakPolarHBondContact CG2-OD2 2.91Å; T256-D259 PolarHBondContact N-OD2 3.25Å; T256-D259 PolarHBondContact O-N 3.37Å; T256-D259 PolarHBondContact OG1-N 3.21Å; T256-D259 PolarHBondContact OG1-OD2 2.89Å; T256-I260 WeakPolarHBondContact O-CD1 3.47Å; T256-I260 VanDerWaalsContact O-CG1 3.29Å; T256-I260 WeakPolarHBondContact O-CG1 3.37Å; T256-I260 PolarHBondContact O-N 3.17Å; T256-I260 VanDerWaalsContact O-N 3.08Å
257	R	88.1	Confident	89.7	Confident	136 Å²	136	66.1 Å²	66.1	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-51.9	-40.9	175	174.1	-171	69.4	177.2	-1.1	111.9	E198 A201 A202 I261	E198-R257 HydrophobicContact CB-CB 4.4Å; E198-R257 WeakPolarHBondContact OE2-CA 3.46Å; E198-R257 WeakPolarHBondContact OE2-CB 3.45Å; E198-R257 PolarHBondContact OE2-N 3.21Å; A201-R257 HydrophobicContact CB-CG 4.12Å; A202-R257 HydrophobicContact CB-CG 4.32Å; R257-I261 HydrophobicContact CG-CD1 3.69Å; R257-I261 HydrophobicContact CG-CG1 4.44Å; R257-I261 WeakPolarHBondContact O-CB 3.24Å; R257-I261 WeakPolarHBondContact O-CD1 3.46Å; R257-I261 WeakPolarHBondContact O-CG1 3.37Å; R257-I261 PolarHBondContact O-N 2.59Å
258	G	81.8	Confident	89.6	Confident	41 Å²	41	60 Å²	60	42%	0.423	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-51.1	-179.9	0	0	0	0	0	111.9	T256 I260 I261 E262	T256-G258 PolarHBondContact O-N 2.61Å; G258-I260 VanDerWaalsContact C-N 3.31Å; G258-I260 PolarHBondContact O-N 3.42Å; G258-I261 PolarHBondContact O-N 3.23Å; G258-E262 WeakPolarHBondContact O-CB 3.39Å; G258-E262 PolarHBondContact O-N 3.39Å
259	D	90.6	Very high	89	Confident	55 Å²	55	59.3 Å²	59.3	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-40.8	-179.4	-51.2	-46.4	0	0	0	111.7	G254 T256 E262 K263	G254-D259 VanDerWaalsContact CA-OD2 3.24Å; G254-D259 WeakPolarHBondContact CA-OD2 3.47Å; G254-D259 WeakPolarHBondContact O-CB 3.2Å; T256-D259 WeakPolarHBondContact CB-OD2 3.19Å; T256-D259 WeakPolarHBondContact CG2-OD2 2.91Å; T256-D259 PolarHBondContact N-OD2 3.25Å; T256-D259 PolarHBondContact O-N 3.37Å; T256-D259 PolarHBondContact OG1-N 3.21Å; T256-D259 PolarHBondContact OG1-OD2 2.89Å; D259-E262 PolarHBondContact O-N 3.12Å; D259-K263 WeakPolarHBondContact O-CB 3.39Å; D259-K263 PolarHBondContact O-N 3.12Å
260	I	94.4	Very high	88.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67.4	-42.7	179.9	-62.8	157.8	0	0	0	110.6	L195 W199 A202 L216 T256 G258 A264	L195-I260 HydrophobicContact CD1-CD1 3.9Å; W199-I260 HydrophobicContact CE3-CD1 3.73Å; W199-I260 HydrophobicContact CE3-CG1 4.33Å; W199-I260 HydrophobicContact CE3-CG2 4.22Å; W199-I260 HydrophobicContact CZ3-CD1 4.14Å; W199-I260 HydrophobicContact CZ3-CG1 4.24Å; W199-I260 HydrophobicContact CZ3-CG2 3.96Å; A202-I260 HydrophobicContact CB-CB 3.91Å; A202-I260 HydrophobicContact CB-CD1 4.49Å; A202-I260 HydrophobicContact CB-CG2 3.6Å; L216-I260 HydrophobicContact CD2-CG2 3.8Å; T256-I260 WeakPolarHBondContact O-CD1 3.47Å; T256-I260 VanDerWaalsContact O-CG1 3.29Å; T256-I260 WeakPolarHBondContact O-CG1 3.37Å; T256-I260 PolarHBondContact O-N 3.17Å; T256-I260 VanDerWaalsContact O-N 3.08Å; G258-I260 VanDerWaalsContact C-N 3.31Å; G258-I260 PolarHBondContact O-N 3.42Å; I260-A264 VanDerWaalsContact O-CB 3.23Å; I260-A264 WeakPolarHBondContact O-CB 3.41Å; I260-A264 PolarHBondContact O-N 3.09Å
261	I	90.6	Very high	87.5	Confident	30 Å²	30	56.4 Å²	56.4	15%	0.154	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-47.5	176	-70.2	167.3	0	0	0	110	A202 A205 V206 R257 G258 K263 A264 M265	A202-I261 HydrophobicContact CB-CG1 4.08Å; A205-I261 HydrophobicContact CB-CD1 3.62Å; A205-I261 HydrophobicContact CB-CG1 4.13Å; V206-I261 HydrophobicContact CG2-CB 4.47Å; V206-I261 HydrophobicContact CG2-CG1 4.06Å; R257-I261 HydrophobicContact CG-CD1 3.69Å; R257-I261 HydrophobicContact CG-CG1 4.44Å; R257-I261 WeakPolarHBondContact O-CB 3.24Å; R257-I261 WeakPolarHBondContact O-CD1 3.46Å; R257-I261 WeakPolarHBondContact O-CG1 3.37Å; R257-I261 PolarHBondContact O-N 2.59Å; G258-I261 PolarHBondContact O-N 3.23Å; I261-K263 PolarHBondContact O-N 3.02Å; I261-A264 PolarHBondContact O-N 2.88Å; I261-M265 HydrophobicContact CG2-CG 4.32Å; I261-M265 WeakPolarHBondContact O-CG 3.45Å; I261-M265 PolarHBondContact O-N 3.35Å
262	E	87.5	Confident	86.6	Confident	124 Å²	124	55.9 Å²	55.9	58%	0.579	30%	0.299	S	S	*	.	H	α-helix	trans	-56.8	-51.6	178.9	-177.6	175.5	-175.9	0	0	110.9	G258 D259 A264 M265 D266	G258-E262 WeakPolarHBondContact O-CB 3.39Å; G258-E262 PolarHBondContact O-N 3.39Å; D259-E262 PolarHBondContact O-N 3.12Å; E262-A264 VanDerWaalsContact C-N 3.3Å; E262-A264 PolarHBondContact O-N 3.46Å; E262-M265 PolarHBondContact O-N 3.08Å; E262-M265 VanDerWaalsContact O-N 3.09Å; E262-D266 PolarHBondContact O-N 3.3Å
263	K	92.2	Very high	86	Confident	58 Å²	58	54 Å²	54	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-37.8	177.7	-176.3	57.2	175.2	177.5	0	112.4	Y251 D259 I261 M265 D266 L267	Y251-K263 HydrophobicContact CD2-CG 3.89Å; Y251-K263 HydrophobicContact CE2-CB 3.72Å; Y251-K263 HydrophobicContact CE2-CG 3.5Å; D259-K263 WeakPolarHBondContact O-CB 3.39Å; D259-K263 PolarHBondContact O-N 3.12Å; I261-K263 PolarHBondContact O-N 3.02Å; K263-M265 VanDerWaalsContact C-N 3.34Å; K263-D266 PolarHBondContact O-N 3.02Å; K263-L267 HydrophobicContact CD-CG 4.45Å; K263-L267 HydrophobicContact CG-CD1 4.23Å; K263-L267 WeakPolarHBondContact O-CB 3.01Å; K263-L267 VanDerWaalsContact O-CG 3.25Å; K263-L267 WeakPolarHBondContact O-CG 3.46Å; K263-L267 PolarHBondContact O-N 2.81Å
264	A	92	Very high	85.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-36	175.7	0	0	0	0	0	112.3	L181 V206 V214 I260 I261 E262 L267 F268	L181-A264 HydrophobicContact CD1-CB 4.17Å; V206-A264 HydrophobicContact CB-CB 4.29Å; V206-A264 HydrophobicContact CG1-CB 3.72Å; V206-A264 HydrophobicContact CG2-CB 3.47Å; V206-A264 VanDerWaalsContact CG2-CB 3.47Å; V214-A264 HydrophobicContact CG1-CB 3.96Å; I260-A264 VanDerWaalsContact O-CB 3.23Å; I260-A264 WeakPolarHBondContact O-CB 3.41Å; I260-A264 PolarHBondContact O-N 3.09Å; I261-A264 PolarHBondContact O-N 2.88Å; E262-A264 VanDerWaalsContact C-N 3.3Å; E262-A264 PolarHBondContact O-N 3.46Å; A264-L267 PolarHBondContact O-N 3.45Å; A264-F268 WeakPolarHBondContact O-CB 3.44Å; A264-F268 PolarHBondContact O-N 2.88Å
265	M	88.1	Confident	85	Confident	40 Å²	40	54.5 Å²	54.5	20%	0.197	29%	0.293	C	S	.	.	H	α-helix	trans	-69.7	-37.4	174.5	-65.9	-48.7	98.5	0	0	112.1	V206 Q209 T210 I261 E262 K263 F268 S269	V206-M265 HydrophobicContact CB-CE 4.31Å; V206-M265 HydrophobicContact CG1-CE 4.12Å; V206-M265 HydrophobicContact CG2-CE 4.02Å; Q209-M265 HydrophobicContact CB-CE 4.21Å; Q209-M265 HydrophobicContact CB-SD 3.99Å; T210-M265 HydrophobicContact CG2-CE 3.39Å; T210-M265 HydrophobicContact CG2-SD 4.01Å; I261-M265 HydrophobicContact CG2-CG 4.32Å; I261-M265 WeakPolarHBondContact O-CG 3.45Å; I261-M265 PolarHBondContact O-N 3.35Å; E262-M265 PolarHBondContact O-N 3.08Å; E262-M265 VanDerWaalsContact O-N 3.09Å; K263-M265 VanDerWaalsContact C-N 3.34Å; M265-F268 WeakPolarHBondContact O-CB 3.38Å; M265-F268 PolarHBondContact O-N 3.09Å; M265-S269 WeakPolarHBondContact O-CB 3.44Å; M265-S269 PolarHBondContact O-N 3.39Å; M265-S269 PolarHBondContact O-OG 3.5Å
266	D	87.2	Confident	84.7	Confident	81 Å²	81	55.8 Å²	55.8	43%	0.433	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-48.2	172.7	-75.6	-14.9	0	0	0	110.6	E262 K263 F268 S269 D270	E262-D266 PolarHBondContact O-N 3.3Å; K263-D266 PolarHBondContact O-N 3.02Å; D266-F268 VanDerWaalsContact C-N 3.33Å; D266-F268 PolarHBondContact O-N 3.09Å; D266-S269 WeakPolarHBondContact O-CB 3.48Å; D266-S269 PolarHBondContact O-N 2.95Å; D266-S269 VanDerWaalsContact O-N 3.15Å; D266-D270 WeakPolarHBondContact O-CB 3.01Å; D266-D270 VanDerWaalsContact O-CG 3.25Å; D266-D270 PolarHBondContact O-N 2.75Å
267	L	89.1	Confident	84.9	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-40.4	176.8	-72.9	171.4	0	0	0	112.3	V179 L181 V241 K263 A264 S269 D270 N271	V179-L267 HydrophobicContact CG1-CB 4.18Å; V179-L267 HydrophobicContact CG1-CD1 4.37Å; L181-L267 HydrophobicContact CD1-CD1 3.91Å; L181-L267 HydrophobicContact CD2-CD1 4.15Å; L181-L267 HydrophobicContact CG-CD1 4.02Å; V241-L267 HydrophobicContact CB-CD1 4.45Å; V241-L267 HydrophobicContact CG1-CD1 3.65Å; V241-L267 HydrophobicContact CG1-CD2 3.8Å; V241-L267 HydrophobicContact CG1-CG 4.37Å; V241-L267 HydrophobicContact CG2-CD1 3.88Å; K263-L267 HydrophobicContact CD-CG 4.45Å; K263-L267 HydrophobicContact CG-CD1 4.23Å; K263-L267 WeakPolarHBondContact O-CB 3.01Å; K263-L267 VanDerWaalsContact O-CG 3.25Å; K263-L267 WeakPolarHBondContact O-CG 3.46Å; K263-L267 PolarHBondContact O-N 2.81Å; A264-L267 PolarHBondContact O-N 3.45Å; L267-S269 VanDerWaalsContact C-N 3.3Å; L267-S269 PolarHBondContact O-N 3.12Å; L267-D270 PolarHBondContact O-N 3.45Å; L267-N271 WeakPolarHBondContact O-CB 3.3Å; L267-N271 PolarHBondContact O-N 2.98Å; L267-N271 VanDerWaalsContact O-N 3.07Å; L267-N271 PolarHBondContact O-ND2 2.65Å
268	F	86.8	Confident	85.2	Confident	38 Å²	38	50 Å²	50	17%	0.167	28%	0.28	C	S	.	.	H	α-helix	trans	-58.9	-45.1	174.1	179.6	-125.9	0	0	0	111.2	T210 K213 V214 A264 M265 D266 N271 A272 L330	T210-F268 HydrophobicContact CG2-CB 3.82Å; T210-F268 HydrophobicContact CG2-CD1 3.94Å; T210-F268 HydrophobicContact CG2-CD2 4Å; T210-F268 HydrophobicContact CG2-CG 3.63Å; K213-F268 HydrophobicContact CB-CD2 3.65Å; K213-F268 HydrophobicContact CB-CE2 3.38Å; K213-F268 HydrophobicContact CG-CE2 3.82Å; V214-F268 HydrophobicContact CG2-CB 3.52Å; V214-F268 HydrophobicContact CG2-CD2 4.04Å; V214-F268 HydrophobicContact CG2-CG 4.18Å; A264-F268 WeakPolarHBondContact O-CB 3.44Å; A264-F268 PolarHBondContact O-N 2.88Å; M265-F268 WeakPolarHBondContact O-CB 3.38Å; M265-F268 PolarHBondContact O-N 3.09Å; D266-F268 VanDerWaalsContact C-N 3.33Å; D266-F268 PolarHBondContact O-N 3.09Å; F268-N271 CarbonylContact O-C 3.57Å; F268-N271 PolarHBondContact O-N 2.86Å; F268-A272 WeakPolarHBondContact O-CB 2.91Å; F268-A272 PolarHBondContact O-N 3.27Å; F268-L330 HydrophobicContact CD1-CD1 4.36Å; F268-L330 HydrophobicContact CE1-CD1 3.79Å; F268-L330 HydrophobicContact CE1-CD2 4.43Å
269	S	79.8	Confident	85.9	Confident	18 Å²	18	49.5 Å²	49.5	13%	0.126	27%	0.267	C	S	.	.	H	α-helix	trans	-68.7	-36.4	-178.9	-60.7	0	0	0	0	112.7	M265 D266 L267	M265-S269 WeakPolarHBondContact O-CB 3.44Å; M265-S269 PolarHBondContact O-N 3.39Å; M265-S269 PolarHBondContact O-OG 3.5Å; D266-S269 WeakPolarHBondContact O-CB 3.48Å; D266-S269 PolarHBondContact O-N 2.95Å; D266-S269 VanDerWaalsContact O-N 3.15Å; L267-S269 VanDerWaalsContact C-N 3.3Å; L267-S269 PolarHBondContact O-N 3.12Å
270	D	79.9	Confident	86.1	Confident	63 Å²	63	46.9 Å²	46.9	34%	0.337	25%	0.253	S	S	.	.	H	α-helix	trans	-69.9	-35.4	178.3	-71.7	-12.9	0	0	0	112.1	D266 L267 K328	D266-D270 WeakPolarHBondContact O-CB 3.01Å; D266-D270 VanDerWaalsContact O-CG 3.25Å; D266-D270 PolarHBondContact O-N 2.75Å; L267-D270 PolarHBondContact O-N 3.45Å; D270-K328 WeakPolarHBondContact OD1-CD 2.94Å; D270-K328 WeakPolarHBondContact OD1-CE 3.36Å; D270-K328 IonicContact OD1-NZ 2.74Å; D270-K328 PolarHBondContact OD1-NZ 3.41Å
271	N	77.1	Confident	86.1	Confident	59 Å²	59	49.1 Å²	49.1	32%	0.316	27%	0.265	S	S	.	.	S	Bend	trans	-99.2	1.9	-177.9	-68.3	-81.4	0	0	0	113.7	V179 R243 L267 F268	V179-N271 HydrophobicContact CG2-CB 3.43Å; V179-N271 VanDerWaalsContact CG2-CB 3.43Å; V179-N271 WeakPolarHBondContact CG2-ND2 3.48Å; R243-N271 VanDerWaalsContact CD-ND2 3.29Å; R243-N271 WeakPolarHBondContact CD-ND2 3.45Å; R243-N271 WeakPolarHBondContact CD-OD1 3.08Å; L267-N271 WeakPolarHBondContact O-CB 3.3Å; L267-N271 PolarHBondContact O-N 2.98Å; L267-N271 VanDerWaalsContact O-N 3.07Å; L267-N271 PolarHBondContact O-ND2 2.65Å; F268-N271 CarbonylContact O-C 3.57Å; F268-N271 PolarHBondContact O-N 2.86Å
272	A	73.8	Confident	86.2	Confident	9 Å²	9	50.5 Å²	50.5	7%	0.074	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-60.4	133.8	173.7	0	0	0	0	0	108.7	F268 L330	F268-A272 WeakPolarHBondContact O-CB 2.91Å; F268-A272 PolarHBondContact O-N 3.27Å; A272-L330 HydrophobicContact CB-CD2 4.22Å
273	P	70.9	Confident	86.4	Confident	112 Å²	112	48.1 Å²	48.1	73%	0.727	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-59.1	155	172.4	26.7	-33.7	0	0	0	109.6
274	A	71.7	Confident	86.2	Confident	55 Å²	55	50.9 Å²	50.9	46%	0.455	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-49.3	133.1	171.1	0	0	0	0	0	109.3	E276 E324	A274-E276 PolarHBondContact O-N 2.91Å; A274-E324 WeakPolarHBondContact CA-OE2 3.48Å; A274-E324 WeakPolarHBondContact CB-OE2 3.29Å
275	P	81.9	Confident	86.2	Confident	33 Å²	33	52.4 Å²	52.4	21%	0.214	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-59.3	134.7	176.5	-15.5	26.7	0	0	0	109.5	L277 A323 K327 W333	P275-L277 PolarHBondContact O-N 3.05Å; P275-A323 HydrophobicContact CB-CB 4.2Å; P275-A323 WeakPolarHBondContact CD-O 3.37Å; P275-A323 HydrophobicContact CG-CB 3.95Å; P275-A323 WeakPolarHBondContact CG-O 3.46Å; P275-K327 HydrophobicContact CG-CB 4.29Å; P275-W333 VanDerWaalsContact CB-CD1 3.46Å; P275-W333 HydrophobicContact CB-CG 4.32Å
276	E	86.4	Confident	86.3	Confident	145 Å²	145	50.7 Å²	50.7	68%	0.678	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-71.4	126.6	174.1	-165.3	175.2	-173.3	0	0	109.2	A274 L278	A274-E276 PolarHBondContact O-N 2.91Å; E276-L278 HydrophobicContact CB-CG 4.46Å; E276-L278 VanDerWaalsContact CD-CD2 3.49Å; E276-L278 HydrophobicContact CG-CD2 3.7Å; E276-L278 HydrophobicContact CG-CG 4.07Å
277	L	93.4	Very high	86.3	Confident	32 Å²	32	51 Å²	51	17%	0.168	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	105.1	173.5	174.7	56.8	0	0	0	108.8	P275 L316 M319 V320 W333 W335	P275-L277 PolarHBondContact O-N 3.05Å; L277-L316 HydrophobicContact CD2-CB 4.3Å; L277-L316 HydrophobicContact CD2-CD2 3.7Å; L277-L316 HydrophobicContact CG-CD2 4.48Å; L277-M319 HydrophobicContact CD1-CE 3.33Å; L277-M319 HydrophobicContact CD1-SD 4.21Å; L277-M319 HydrophobicContact CD2-CB 3.64Å; L277-M319 HydrophobicContact CD2-CE 4.25Å; L277-M319 HydrophobicContact CD2-SD 4.18Å; L277-M319 HydrophobicContact CG-CE 4.45Å; L277-V320 HydrophobicContact CB-CG2 4.31Å; L277-V320 HydrophobicContact CD2-CG2 3.95Å; L277-W333 HydrophobicContact CD1-CB 4.13Å; L277-W335 HydrophobicContact CD1-CB 4.37Å; L277-W335 HydrophobicContact CD1-CG 4.46Å
278	L	94.3	Very high	86.2	Confident	54 Å²	54	59 Å²	59	28%	0.283	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	145.4	-176	-62.6	172.4	0	0	0	112.1	E276 V285 W333 L334 W335	E276-L278 HydrophobicContact CB-CG 4.46Å; E276-L278 VanDerWaalsContact CD-CD2 3.49Å; E276-L278 HydrophobicContact CG-CD2 3.7Å; E276-L278 HydrophobicContact CG-CG 4.07Å; L278-V285 HydrophobicContact CB-CG1 4.08Å; L278-V285 HydrophobicContact CD1-CG1 4.27Å; L278-W333 PolarHBondContact N-O 3.07Å; L278-L334 HydrophobicContact CB-CD2 3.79Å; L278-L334 CarbonylContact O-C 3.56Å; L278-L334 VanDerWaalsContact O-CA 3.26Å; L278-L334 WeakPolarHBondContact O-CA 3.41Å; L278-W335 PolarHBondContact O-N 3.42Å
279	E	96.1	Very high	86.3	Confident	32 Å²	32	58.3 Å²	58.3	15%	0.15	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	139.5	168.8	-170.8	174	-167.4	0	0	110.1	L281 V285 W335 W411	E279-L281 HydrophobicContact CB-CD2 4.01Å; E279-L281 HydrophobicContact CB-CG 4.31Å; E279-L281 HydrophobicContact CG-CD2 3.72Å; E279-L281 HydrophobicContact CG-CG 4.46Å; E279-L281 PolarHBondContact O-N 3.32Å; E279-V285 WeakPolarHBondContact O-CG1 3.38Å; E279-W335 CarbonylContact C-O 3.24Å; E279-W335 WeakPolarHBondContact CA-O 3.49Å; E279-W335 HydrophobicContact CB-CD2 4.49Å; E279-W335 HydrophobicContact CB-CZ2 3.75Å; E279-W335 VanDerWaalsContact CD-CH2 3.49Å; E279-W335 VanDerWaalsContact CD-CZ2 3.46Å; E279-W335 HydrophobicContact CG-CD2 4.33Å; E279-W335 HydrophobicContact CG-CH2 3.93Å; E279-W335 HydrophobicContact CG-CZ2 3.63Å; E279-W335 HydrophobicContact CG-CZ3 4.42Å; E279-W335 WeakPolarHBondContact OE1-CH2 3.36Å; E279-W411 PolarHBondContact OE2-N 3.39Å
280	I	95.6	Very high	86.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.306	C	S	.	.			trans	-77.5	87.7	176.6	-57.1	173.8	0	0	0	109.4	L286 I298 L334 W335 T336 Q341 L344 I405 V408	I280-L286 HydrophobicContact CD1-CD1 4.27Å; I280-I298 HydrophobicContact CD1-CD1 4.18Å; I280-I298 HydrophobicContact CD1-CG2 3.73Å; I280-L334 HydrophobicContact CD1-CB 4.02Å; I280-L334 HydrophobicContact CD1-CD1 4.25Å; I280-L334 HydrophobicContact CG1-CB 3.88Å; I280-L334 HydrophobicContact CG1-CD1 4.12Å; I280-L334 HydrophobicContact CG1-CD2 4.32Å; I280-L334 HydrophobicContact CG1-CG 4.35Å; I280-W335 WeakPolarHBondContact CG1-O 3.21Å; I280-W335 PolarHBondContact N-O 3.01Å; I280-T336 HydrophobicContact CD1-CG2 4.4Å; I280-Q341 HydrophobicContact CG2-CG 4.3Å; I280-Q341 PolarHBondContact O-NE2 2.84Å; I280-Q341 VanDerWaalsContact O-NE2 3.12Å; I280-L344 HydrophobicContact CD1-CD2 3.89Å; I280-I405 HydrophobicContact CG2-CD1 4.38Å; I280-I405 HydrophobicContact CG2-CG2 3.54Å; I280-V408 WeakPolarHBondContact O-CG2 3.35Å
281	L	93.2	Very high	86.7	Confident	47 Å²	47	60.2 Å²	60.2	25%	0.246	32%	0.316	C	S	.	.			trans	-87.6	-26.3	-179.3	-57.4	-179.5	0	0	0	113.9	E279 A407 V408 A410	E279-L281 HydrophobicContact CB-CD2 4.01Å; E279-L281 HydrophobicContact CB-CG 4.31Å; E279-L281 HydrophobicContact CG-CD2 3.72Å; E279-L281 HydrophobicContact CG-CG 4.46Å; E279-L281 PolarHBondContact O-N 3.32Å; L281-A407 VanDerWaalsContact O-CA 3.28Å; L281-A407 WeakPolarHBondContact O-CA 3.31Å; L281-V408 HydrophobicContact CD2-CG2 4.15Å; L281-V408 PolarHBondContact O-N 3.3Å; L281-A410 HydrophobicContact CD1-CB 3.92Å; L281-A410 HydrophobicContact CD2-CB 3.92Å
282	N	93	Very high	86.5	Confident	59 Å²	59	63.1 Å²	63.1	32%	0.316	33%	0.332	S	S	.	.	S	Bend	trans	-166	176	-177.3	56.1	55.9	0	0	0	110.9	D284 V285 I405	N282-D284 VanDerWaalsContact C-N 3.28Å; N282-D284 PolarHBondContact O-N 3.02Å; N282-D284 WeakPolarHBondContact OD1-CB 3.28Å; N282-D284 PolarHBondContact OD1-N 3.43Å; N282-V285 PolarHBondContact O-N 3.12Å; N282-V285 PolarHBondContact OD1-N 3.15Å; N282-V285 VanDerWaalsContact OD1-N 3.07Å; N282-I405 VanDerWaalsContact C-CG2 3.48Å
283	E	91	Very high	86.9	Confident	73 Å²	73	63.7 Å²	63.7	34%	0.341	34%	0.335	S	S	.	.	H	α-helix	trans	-59.7	-34.4	179.2	-72.3	-171.2	-168	0	0	114	L286 K287 I405	E283-L286 PolarHBondContact O-N 3.49Å; E283-K287 WeakPolarHBondContact O-CB 3.26Å; E283-K287 WeakPolarHBondContact O-CG 3.5Å; E283-K287 PolarHBondContact O-N 3.31Å; E283-K287 IonicContact OE2-NZ 3.87Å; E283-K287 PolarHBondContact OE2-NZ 3.36Å; E283-I405 HydrophobicContact CG-CB 3.79Å; E283-I405 HydrophobicContact CG-CG1 4.34Å
284	D	89.9	Confident	87.7	Confident	117 Å²	117	64.2 Å²	64.2	63%	0.626	33%	0.328	S	S	*	.	H	α-helix	trans	-69.4	-39.1	-175	-67.6	-26.4	0	0	0	111.4	N282 L286 K287 K288	N282-D284 VanDerWaalsContact C-N 3.28Å; N282-D284 PolarHBondContact O-N 3.02Å; N282-D284 WeakPolarHBondContact OD1-CB 3.28Å; N282-D284 PolarHBondContact OD1-N 3.43Å; D284-L286 VanDerWaalsContact C-N 3.33Å; D284-L286 PolarHBondContact O-N 3.11Å; D284-K287 PolarHBondContact O-N 3.18Å; D284-K288 WeakPolarHBondContact O-CB 3.46Å; D284-K288 PolarHBondContact O-N 3.47Å
285	V	91	Very high	88.6	Confident	32 Å²	32	62.6 Å²	62.6	19%	0.194	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-45.3	175.3	177.2	0	0	0	0	110.5	L278 E279 N282 T289 L334	L278-V285 HydrophobicContact CB-CG1 4.08Å; L278-V285 HydrophobicContact CD1-CG1 4.27Å; E279-V285 WeakPolarHBondContact O-CG1 3.38Å; N282-V285 PolarHBondContact O-N 3.12Å; N282-V285 PolarHBondContact OD1-N 3.15Å; N282-V285 VanDerWaalsContact OD1-N 3.07Å; V285-T289 VanDerWaalsContact O-CB 3.25Å; V285-T289 WeakPolarHBondContact O-CB 3.36Å; V285-T289 PolarHBondContact O-N 3.18Å; V285-T289 VanDerWaalsContact O-N 3.14Å; V285-T289 PolarHBondContact O-OG1 3.41Å; V285-L334 HydrophobicContact CG1-CD2 3.99Å
286	L	89.8	Confident	89.2	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-49.6	179	-176.7	67.5	0	0	0	111.7	I280 E283 D284 T289 C290 I298 L334 M402 I405	I280-L286 HydrophobicContact CD1-CD1 4.27Å; E283-L286 PolarHBondContact O-N 3.49Å; D284-L286 VanDerWaalsContact C-N 3.33Å; D284-L286 PolarHBondContact O-N 3.11Å; L286-T289 PolarHBondContact O-N 3.44Å; L286-C290 VanDerWaalsContact CD1-SG 3.52Å; L286-C290 VanDerWaalsContact O-CB 3.25Å; L286-C290 WeakPolarHBondContact O-CB 3.5Å; L286-C290 PolarHBondContact O-N 3.12Å; L286-C290 PolarHBondContact O-SG 3.29Å; L286-C290 VanDerWaalsContact O-SG 3.35Å; L286-I298 HydrophobicContact CD1-CD1 3.74Å; L286-L334 HydrophobicContact CD1-CD1 3.46Å; L286-L334 VanDerWaalsContact CD1-CD1 3.46Å; L286-M402 HydrophobicContact CD1-CE 4.14Å; L286-M402 HydrophobicContact CD2-CE 3.45Å; L286-M402 VanDerWaalsContact CD2-CE 3.45Å; L286-M402 HydrophobicContact CG-CE 3.88Å; L286-I405 HydrophobicContact CB-CG1 4.41Å; L286-I405 HydrophobicContact CD2-CD1 3.43Å; L286-I405 VanDerWaalsContact CD2-CD1 3.43Å; L286-I405 HydrophobicContact CD2-CG1 3.35Å
287	K	87.9	Confident	89.7	Confident	86 Å²	86	54.2 Å²	54.2	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-53.3	-179.6	-76.1	167.8	175.6	159.4	0	111.2	E283 D284 T289 C290 E291	E283-K287 WeakPolarHBondContact O-CB 3.26Å; E283-K287 WeakPolarHBondContact O-CG 3.5Å; E283-K287 PolarHBondContact O-N 3.31Å; E283-K287 IonicContact OE2-NZ 3.87Å; E283-K287 PolarHBondContact OE2-NZ 3.36Å; D284-K287 PolarHBondContact O-N 3.18Å; K287-T289 VanDerWaalsContact C-N 3.25Å; K287-T289 PolarHBondContact O-N 2.92Å; K287-C290 PolarHBondContact O-N 3.02Å; K287-E291 VanDerWaalsContact O-CB 3.25Å; K287-E291 WeakPolarHBondContact O-CB 3.41Å; K287-E291 VanDerWaalsContact O-CG 3.3Å; K287-E291 WeakPolarHBondContact O-CG 3.41Å; K287-E291 PolarHBondContact O-N 3.2Å
288	K	86.9	Confident	89.8	Confident	171 Å²	171	52.7 Å²	52.7	74%	0.743	26%	0.261	S	S	*	.	H	α-helix	trans	-59.6	-36.6	-178	-172.8	-179.5	177.2	-171.7	0	112.5	D284	D284-K288 WeakPolarHBondContact O-CB 3.46Å; D284-K288 PolarHBondContact O-N 3.47Å
289	T	87.9	Confident	90	Very high	23 Å²	23	50.1 Å²	50.1	14%	0.141	25%	0.248	C	C	.	.	H	α-helix	trans	-82.4	-35.1	-177.6	-51.1	0	0	0	0	112.4	V285 L286 K287 L334	V285-T289 VanDerWaalsContact O-CB 3.25Å; V285-T289 WeakPolarHBondContact O-CB 3.36Å; V285-T289 PolarHBondContact O-N 3.18Å; V285-T289 VanDerWaalsContact O-N 3.14Å; V285-T289 PolarHBondContact O-OG1 3.41Å; L286-T289 PolarHBondContact O-N 3.44Å; K287-T289 VanDerWaalsContact C-N 3.25Å; K287-T289 PolarHBondContact O-N 2.92Å; T289-L334 HydrophobicContact CG2-CD1 4.23Å; T289-L334 HydrophobicContact CG2-CD2 3.83Å; T289-L334 HydrophobicContact CG2-CG 3.86Å
290	C	86.9	Confident	90	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-96.8	-24.3	-173.2	-60.7	0	0	0	0	115	L286 K287 C296 L334 A363	L286-C290 VanDerWaalsContact CD1-SG 3.52Å; L286-C290 VanDerWaalsContact O-CB 3.25Å; L286-C290 WeakPolarHBondContact O-CB 3.5Å; L286-C290 PolarHBondContact O-N 3.12Å; L286-C290 PolarHBondContact O-SG 3.29Å; L286-C290 VanDerWaalsContact O-SG 3.35Å; K287-C290 PolarHBondContact O-N 3.02Å; C290-C296 WeakPolarHBondContact CA-SG 3.39Å; C290-C296 HydrophobicContact CB-CB 3.53Å; C290-C296 WeakPolarHBondContact CB-SG 3.48Å; C290-C296 WeakPolarHBondContact SG-CB 3.27Å; C290-C296 CovalentContact SG-SG 2.03Å; C290-C296 PolarHBondContact SG-SG 3Å; C290-L334 VanDerWaalsContact SG-CD1 3.58Å; C290-A363 HydrophobicContact CB-CB 4.45Å
291	E	81.1	Confident	90.1	Very high	117 Å²	117	48.6 Å²	48.6	55%	0.547	24%	0.241	S	C	.	.	H	α-helix	trans	-74.1	-38.4	-178	-73.1	-178.9	175.9	0	0	112.8	K287 S293	K287-E291 VanDerWaalsContact O-CB 3.25Å; K287-E291 WeakPolarHBondContact O-CB 3.41Å; K287-E291 VanDerWaalsContact O-CG 3.3Å; K287-E291 WeakPolarHBondContact O-CG 3.41Å; K287-E291 PolarHBondContact O-N 3.2Å; E291-S293 VanDerWaalsContact C-N 3.3Å; E291-S293 PolarHBondContact O-N 3.22Å
292	D	73.3	Confident	90.2	Very high	121 Å²	121	46.9 Å²	46.9	65%	0.647	23%	0.233	S	C	*	.	S	Bend	trans	-75.8	-18.4	-179.1	-85.7	3.6	0	0	0	112.8	K211	K211-D292 IonicContact NZ-OD2 3.9Å
293	S	83.4	Confident	90.2	Very high	20 Å²	20	47.1 Å²	47.1	14%	0.14	23%	0.232	C	C	.	.	S	Bend	trans	-98.2	158.1	-175.4	-70.4	0	0	0	0	113.5	E291 L295 L330 G332 R364	E291-S293 VanDerWaalsContact C-N 3.3Å; E291-S293 PolarHBondContact O-N 3.22Å; S293-L295 WeakPolarHBondContact CB-O 3.38Å; S293-L330 WeakPolarHBondContact CB-O 3.47Å; S293-L330 PolarHBondContact OG-O 3.43Å; S293-G332 PolarHBondContact OG-N 3.41Å; S293-R364 PolarHBondContact O-NH2 3.5Å
294	Q	86.3	Confident	90.4	Very high	123 Å²	123	44.3 Å²	44.3	58%	0.575	22%	0.219	S	C	*	.	S	Bend	trans	-71.9	-40.7	172.1	-176.3	-176.9	-10.5	0	0	111.6	N362	Q294-N362 PolarHBondContact O-ND2 2.97Å
295	L	92.1	Very high	90.4	Very high	22 Å²	22	42.4 Å²	42.4	12%	0.115	21%	0.208	C	C	.	.			trans	-134.1	147.9	175.8	-64.5	177.2	0	0	0	108.9	S293 I297 W331 G332 I361 N362 L387	S293-L295 WeakPolarHBondContact CB-O 3.38Å; L295-I297 HydrophobicContact CB-CD1 4.48Å; L295-W331 HydrophobicContact CB-CD2 4.23Å; L295-W331 HydrophobicContact CB-CG 3.98Å; L295-W331 HydrophobicContact CD1-CD2 4.43Å; L295-W331 HydrophobicContact CD1-CZ2 3.79Å; L295-W331 VanDerWaalsContact O-CA 3.32Å; L295-W331 WeakPolarHBondContact O-CA 3.3Å; L295-W331 WeakPolarHBondContact O-CB 3.49Å; L295-G332 PolarHBondContact O-N 3.12Å; L295-I361 CarbonylContact C-O 3.54Å; L295-I361 WeakPolarHBondContact CA-O 3.43Å; L295-N362 HydrophobicContact CD2-CB 3.97Å; L295-L387 HydrophobicContact CD1-CB 4.31Å
296	C	94	Very high	90.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.7	173.5	-152.2	0	0	0	0	107.9	C290 G332 A360 I361	C290-C296 WeakPolarHBondContact CA-SG 3.39Å; C290-C296 HydrophobicContact CB-CB 3.53Å; C290-C296 WeakPolarHBondContact CB-SG 3.48Å; C290-C296 WeakPolarHBondContact SG-CB 3.27Å; C290-C296 CovalentContact SG-SG 2.03Å; C290-C296 PolarHBondContact SG-SG 3Å; C296-G332 CarbonylContact C-O 3.49Å; C296-G332 WeakPolarHBondContact CA-O 3.33Å; C296-A360 CarbonylContact O-C 3.55Å; C296-A360 WeakPolarHBondContact O-CA 3.03Å; C296-I361 PolarHBondContact N-O 3.48Å; C296-I361 PolarHBondContact O-N 2.99Å
297	I	96.6	Very high	90.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118.3	179.7	-49.1	-52.9	0	0	0	107.4	L295 W331 G332 W333 L334 M358 A360 L384	L295-I297 HydrophobicContact CB-CD1 4.48Å; I297-W331 HydrophobicContact CD1-CE3 4.09Å; I297-W331 HydrophobicContact CG1-CB 4.4Å; I297-W331 HydrophobicContact CG1-CE3 4.11Å; I297-G332 PolarHBondContact N-O 3.1Å; I297-W333 HydrophobicContact CB-CD2 4.14Å; I297-W333 HydrophobicContact CB-CE3 3.9Å; I297-W333 HydrophobicContact CB-CZ3 4.13Å; I297-W333 HydrophobicContact CG1-CD2 4.35Å; I297-W333 HydrophobicContact CG1-CE3 4.4Å; I297-W333 HydrophobicContact CG1-CH2 4.33Å; I297-W333 HydrophobicContact CG1-CZ2 4.22Å; I297-W333 HydrophobicContact CG1-CZ3 4.41Å; I297-W333 HydrophobicContact CG2-CE3 3.94Å; I297-W333 HydrophobicContact CG2-CH2 4.38Å; I297-W333 HydrophobicContact CG2-CZ3 3.8Å; I297-L334 PolarHBondContact O-N 3.04Å; I297-M358 HydrophobicContact CG2-CE 4.14Å; I297-M358 HydrophobicContact CG2-CG 3.98Å; I297-M358 HydrophobicContact CG2-SD 3.69Å; I297-A360 HydrophobicContact CD1-CB 3.59Å; I297-L384 HydrophobicContact CD1-CD2 3.61Å; I297-L384 HydrophobicContact CG1-CD2 4.1Å; I297-L384 HydrophobicContact CG2-CD2 4.47Å
298	I	96.2	Very high	90.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.3	-178.8	-51.9	-167.6	0	0	0	108.8	I280 L286 L334 L344 M358 A359 I361	I280-I298 HydrophobicContact CD1-CD1 4.18Å; I280-I298 HydrophobicContact CD1-CG2 3.73Å; L286-I298 HydrophobicContact CD1-CD1 3.74Å; I298-L334 VanDerWaalsContact CA-O 3.32Å; I298-L334 WeakPolarHBondContact CA-O 3.4Å; I298-L334 HydrophobicContact CD1-CD1 4.35Å; I298-L334 HydrophobicContact CG1-CB 4.23Å; I298-L334 HydrophobicContact CG1-CD1 4.45Å; I298-L344 HydrophobicContact CD1-CD2 4.37Å; I298-L344 HydrophobicContact CG2-CD2 4.48Å; I298-M358 CarbonylContact O-C 3.54Å; I298-M358 WeakPolarHBondContact O-CA 3.07Å; I298-A359 PolarHBondContact N-O 3.44Å; I298-A359 PolarHBondContact O-N 3Å; I298-I361 HydrophobicContact CD1-CD1 3.5Å; I298-I361 HydrophobicContact CD1-CG1 4.44Å; I298-I361 HydrophobicContact CG1-CD1 4.18Å
299	A	97.2	Very high	91	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136	168.3	0	0	0	0	0	111	L301 M319 L334 W335 T336 A357 M358 F375	A299-L301 HydrophobicContact CB-CD2 3.98Å; A299-M319 HydrophobicContact CB-CE 3.65Å; A299-M319 HydrophobicContact CB-SD 3.31Å; A299-M319 WeakPolarHBondContact CB-SD 3.35Å; A299-L334 PolarHBondContact N-O 3.17Å; A299-W335 HydrophobicContact CB-CB 4.31Å; A299-W335 CarbonylContact O-C 3.52Å; A299-W335 WeakPolarHBondContact O-CA 3.23Å; A299-T336 PolarHBondContact O-N 2.86Å; A299-A357 CarbonylContact C-O 3.55Å; A299-A357 WeakPolarHBondContact CA-O 3.31Å; A299-M358 HydrophobicContact CB-CE 4.49Å; A299-F375 HydrophobicContact CB-CE2 3.92Å; A299-F375 HydrophobicContact CB-CZ 3.87Å
300	V	96.9	Very high	91.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108.6	168.5	-171	0	0	0	0	106.9	T336 A338 E345 I350 Y355 P356 A357	V300-T336 WeakPolarHBondContact CA-O 3.45Å; V300-T336 HydrophobicContact CB-CG2 4.34Å; V300-T336 HydrophobicContact CG1-CG2 4.16Å; V300-T336 HydrophobicContact CG2-CG2 3.91Å; V300-A338 HydrophobicContact CG1-CB 4.16Å; V300-E345 HydrophobicContact CG1-CG 4.13Å; V300-E345 HydrophobicContact CG2-CG 4.23Å; V300-I350 HydrophobicContact CB-CG2 4.26Å; V300-I350 HydrophobicContact CG2-CD1 3.91Å; V300-I350 HydrophobicContact CG2-CG2 4.19Å; V300-Y355 HydrophobicContact CB-CD1 4.11Å; V300-Y355 HydrophobicContact CB-CE1 4.16Å; V300-Y355 HydrophobicContact CG1-CD1 3.63Å; V300-Y355 HydrophobicContact CG1-CE1 3.39Å; V300-P356 CarbonylContact O-C 3.58Å; V300-P356 VanDerWaalsContact O-CA 3.31Å; V300-P356 WeakPolarHBondContact O-CA 3.41Å; V300-A357 HydrophobicContact CB-CB 4.49Å; V300-A357 PolarHBondContact N-O 2.95Å; V300-A357 PolarHBondContact O-N 3.25Å
301	L	96.7	Very high	91.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	151.8	-173.9	-57.7	-173.1	0	0	0	110.7	A299 R312 Y315 L316 W335 T336 A338 P356 F375	A299-L301 HydrophobicContact CB-CD2 3.98Å; L301-R312 HydrophobicContact CD1-CG 4.35Å; L301-Y315 HydrophobicContact CD2-CD2 4.46Å; L301-Y315 HydrophobicContact CD2-CG 4.19Å; L301-L316 HydrophobicContact CD1-CD2 3.78Å; L301-L316 HydrophobicContact CD1-CG 4.18Å; L301-W335 HydrophobicContact CD1-CB 4.47Å; L301-W335 HydrophobicContact CD1-CD2 4.18Å; L301-W335 HydrophobicContact CD1-CE3 3.68Å; L301-W335 HydrophobicContact CD1-CZ3 4.34Å; L301-W335 HydrophobicContact CG-CE3 4.14Å; L301-T336 PolarHBondContact N-O 3.15Å; L301-A338 VanDerWaalsContact O-CB 3.24Å; L301-A338 WeakPolarHBondContact O-CB 3.33Å; L301-A338 PolarHBondContact O-N 2.96Å; L301-P356 HydrophobicContact CD2-CB 4.16Å; L301-F375 HydrophobicContact CD2-CE1 4.4Å; L301-F375 HydrophobicContact CD2-CE2 4.43Å; L301-F375 HydrophobicContact CD2-CZ 3.88Å
302	P	95.9	Very high	92.4	Very high	11 Å²	11	37 Å²	37	7%	0.071	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-54.5	155.9	174.7	-22.8	32.2	0	0	0	112.4	D306 T307 R312 Y315	P302-D306 HydrophobicContact CB-CB 4.41Å; P302-T307 HydrophobicContact CB-CG2 3.62Å; P302-T307 HydrophobicContact CG-CG2 3.87Å; P302-R312 PolarHBondContact O-NH2 2.73Å; P302-Y315 HydrophobicContact CG-CE2 4.1Å
303	H	94.3	Very high	93.4	Very high	65 Å²	65	35.1 Å²	35.1	30%	0.301	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-59	148.7	176.8	-169	-92.5	0	0	0	110.5	L305 D306 T307 E337	H303-L305 PolarHBondContact ND1-N 3.05Å; H303-L305 PolarHBondContact O-N 3.43Å; H303-D306 PolarHBondContact O-N 3.33Å; H303-T307 PolarHBondContact O-OG1 2.92Å; H303-E337 IonicContact CD2-OE1 3.7Å; H303-E337 PolarHBondContact CD2-OE1 3.19Å; H303-E337 IonicContact CD2-OE2 2.7Å; H303-E337 IonicContact NE2-OE1 3.04Å; H303-E337 PolarHBondContact NE2-OE1 3.07Å
304	I	93.4	Very high	94	Very high	14 Å²	14	36 Å²	36	7%	0.072	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-31.3	-173.7	-170.6	63.4	0	0	0	112.1	D306 T307 G308 R312 E337 W411	I304-D306 VanDerWaalsContact C-N 3.26Å; I304-D306 PolarHBondContact O-N 3.41Å; I304-T307 PolarHBondContact O-N 3.34Å; I304-G308 VanDerWaalsContact CD1-C 3.5Å; I304-G308 VanDerWaalsContact O-CA 3.27Å; I304-G308 WeakPolarHBondContact O-CA 3.27Å; I304-G308 PolarHBondContact O-N 3.05Å; I304-R312 HydrophobicContact CD1-CB 4.3Å; I304-E337 PolarHBondContact N-OE2 3.34Å; I304-E337 VanDerWaalsContact N-OE2 3.1Å; I304-W411 HydrophobicContact CD1-CZ2 3.81Å
305	L	91.5	Very high	94.5	Very high	76 Å²	76	33.1 Å²	33.1	40%	0.398	20%	0.2	S	C	.	.	H	α-helix	trans	-66.8	-24.3	177.5	-63.2	172.8	0	0	0	113.5	H303 L418	H303-L305 PolarHBondContact ND1-N 3.05Å; H303-L305 PolarHBondContact O-N 3.43Å; L305-L418 HydrophobicContact CD1-CD2 3.75Å; L305-L418 HydrophobicContact CD2-CD2 4.22Å; L305-L418 HydrophobicContact CD2-CG 4.32Å
306	D	91.1	Very high	94.7	Very high	125 Å²	125	33.2 Å²	33.2	67%	0.668	20%	0.201	S	C	*	.	H	α-helix	trans	-83.6	-30.2	-178.7	-61.4	-38	0	0	0	112.4	P302 H303 I304	P302-D306 HydrophobicContact CB-CB 4.41Å; H303-D306 PolarHBondContact O-N 3.33Å; I304-D306 VanDerWaalsContact C-N 3.26Å; I304-D306 PolarHBondContact O-N 3.41Å
307	T	91.1	Very high	94.8	Very high	38 Å²	38	36.8 Å²	36.8	23%	0.233	22%	0.22	C	C	.	.	H	α-helix	trans	-120.2	-20.4	-167.6	53.6	0	0	0	0	113.9	P302 H303 I304 G311 Y315	P302-T307 HydrophobicContact CB-CG2 3.62Å; P302-T307 HydrophobicContact CG-CG2 3.87Å; H303-T307 PolarHBondContact O-OG1 2.92Å; I304-T307 PolarHBondContact O-N 3.34Å; T307-G311 WeakPolarHBondContact O-CA 3.48Å; T307-G311 PolarHBondContact O-N 2.83Å; T307-Y315 HydrophobicContact CG2-CE2 4.16Å
308	G	93	Very high	94.8	Very high	16 Å²	16	38 Å²	38	17%	0.165	23%	0.227	C	C	.	.	H	α-helix	trans	61.4	175.5	-166	0	0	0	0	0	113.1	I304 S310 G311 R312 D415	I304-G308 VanDerWaalsContact CD1-C 3.5Å; I304-G308 VanDerWaalsContact O-CA 3.27Å; I304-G308 WeakPolarHBondContact O-CA 3.27Å; I304-G308 PolarHBondContact O-N 3.05Å; G308-S310 VanDerWaalsContact C-N 3.25Å; G308-S310 PolarHBondContact O-N 3.36Å; G308-G311 PolarHBondContact O-N 3.4Å; G308-R312 PolarHBondContact O-N 3.26Å; G308-R312 VanDerWaalsContact O-N 3.07Å; G308-D415 VanDerWaalsContact CA-OD1 3.22Å; G308-D415 WeakPolarHBondContact CA-OD1 3.31Å
309	A	93.1	Very high	94.7	Very high	12 Å²	12	38 Å²	38	10%	0.099	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-38.2	176.6	0	0	0	0	0	111.4	N313 W411 D415	A309-N313 VanDerWaalsContact O-CB 3.25Å; A309-N313 WeakPolarHBondContact O-CB 3.32Å; A309-N313 PolarHBondContact O-N 3.27Å; A309-N313 PolarHBondContact O-ND2 3.34Å; A309-W411 HydrophobicContact CB-CH2 4.19Å; A309-W411 HydrophobicContact CB-CZ2 3.72Å; A309-D415 WeakPolarHBondContact CB-OD1 3.28Å; A309-D415 PolarHBondContact N-OD1 3.07Å
310	S	93.7	Very high	94.6	Very high	105 Å²	105	41.5 Å²	41.5	73%	0.734	25%	0.248	S	C	*	.	H	α-helix	trans	-63.5	-44	178.2	-173	0	0	0	0	112.2	G308 G314	G308-S310 VanDerWaalsContact C-N 3.25Å; G308-S310 PolarHBondContact O-N 3.36Å; S310-G314 PolarHBondContact O-N 2.68Å; S310-G314 VanDerWaalsContact O-N 3.12Å
311	G	93.9	Very high	94.5	Very high	26 Å²	26	45.5 Å²	45.5	27%	0.268	27%	0.266	S	S	.	.	H	α-helix	trans	-68.2	-45	179.4	0	0	0	0	0	111.8	T307 G308 N313 G314 Y315	T307-G311 WeakPolarHBondContact O-CA 3.48Å; T307-G311 PolarHBondContact O-N 2.83Å; G308-G311 PolarHBondContact O-N 3.4Å; G311-N313 PolarHBondContact O-N 3.2Å; G311-G314 PolarHBondContact O-N 2.85Å; G311-G314 VanDerWaalsContact O-N 3.16Å; G311-Y315 VanDerWaalsContact O-CD2 3.29Å; G311-Y315 WeakPolarHBondContact O-CD2 3.47Å; G311-Y315 PolarHBondContact O-N 3.5Å
312	R	96.1	Very high	94.4	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.011	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-50.3	174	178.4	164.7	-65.4	176	2	112.3	L301 P302 I304 G308 G314 Y315 L316 E337 W411	L301-R312 HydrophobicContact CD1-CG 4.35Å; P302-R312 PolarHBondContact O-NH2 2.73Å; I304-R312 HydrophobicContact CD1-CB 4.3Å; G308-R312 PolarHBondContact O-N 3.26Å; G308-R312 VanDerWaalsContact O-N 3.07Å; R312-G314 PolarHBondContact O-N 3.34Å; R312-Y315 PolarHBondContact O-N 3Å; R312-L316 HydrophobicContact CG-CD1 3.97Å; R312-L316 HydrophobicContact CG-CG 4.33Å; R312-L316 WeakPolarHBondContact O-CG 3.43Å; R312-L316 PolarHBondContact O-N 3.3Å; R312-E337 IonicContact CZ-OE2 3.18Å; R312-E337 VanDerWaalsContact CZ-OE2 3.27Å; R312-E337 IonicContact NH1-OE2 3.44Å; R312-E337 PolarHBondContact NH1-OE2 2.74Å; R312-E337 IonicContact NH2-OE2 3.78Å; R312-E337 PolarHBondContact NH2-OE2 3.49Å; R312-W411 HydrophobicContact CB-CH2 4.18Å; R312-W411 HydrophobicContact CG-CE3 4.29Å; R312-W411 HydrophobicContact CG-CH2 3.93Å; R312-W411 HydrophobicContact CG-CZ2 4.49Å; R312-W411 HydrophobicContact CG-CZ3 3.82Å
313	N	95.2	Very high	94.2	Very high	81 Å²	81	45.3 Å²	45.3	43%	0.433	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-33.4	178.1	-76.3	-33.1	0	0	0	112.4	A309 G311 L316 D317	A309-N313 VanDerWaalsContact O-CB 3.25Å; A309-N313 WeakPolarHBondContact O-CB 3.32Å; A309-N313 PolarHBondContact O-N 3.27Å; A309-N313 PolarHBondContact O-ND2 3.34Å; G311-N313 PolarHBondContact O-N 3.2Å; N313-L316 PolarHBondContact O-N 3.48Å; N313-D317 WeakPolarHBondContact O-CB 3.47Å; N313-D317 PolarHBondContact O-N 2.86Å
314	G	96.1	Very high	94	Very high	37 Å²	37	45.8 Å²	45.8	38%	0.381	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-43.5	172.8	0	0	0	0	0	113.1	S310 G311 R312 D317 V318	S310-G314 PolarHBondContact O-N 2.68Å; S310-G314 VanDerWaalsContact O-N 3.12Å; G311-G314 PolarHBondContact O-N 2.85Å; G311-G314 VanDerWaalsContact O-N 3.16Å; R312-G314 PolarHBondContact O-N 3.34Å; G314-D317 PolarHBondContact O-N 2.61Å; G314-V318 WeakPolarHBondContact O-CG2 3.34Å; G314-V318 PolarHBondContact O-N 3.38Å
315	Y	96.8	Very high	93.8	Very high	64 Å²	64	50.7 Å²	50.7	25%	0.251	29%	0.287	S	S	.	.	H	α-helix	trans	-66.8	-41.3	175	-64.9	-55.7	0	0	0	112.4	L301 P302 T307 G311 R312 V318 M319 P356 F375	L301-Y315 HydrophobicContact CD2-CD2 4.46Å; L301-Y315 HydrophobicContact CD2-CG 4.19Å; P302-Y315 HydrophobicContact CG-CE2 4.1Å; T307-Y315 HydrophobicContact CG2-CE2 4.16Å; G311-Y315 VanDerWaalsContact O-CD2 3.29Å; G311-Y315 WeakPolarHBondContact O-CD2 3.47Å; G311-Y315 PolarHBondContact O-N 3.5Å; R312-Y315 PolarHBondContact O-N 3Å; Y315-V318 PolarHBondContact O-N 3.28Å; Y315-M319 WeakPolarHBondContact O-CG 3.38Å; Y315-M319 PolarHBondContact O-N 3.47Å; Y315-P356 HydrophobicContact CD1-CG 4.18Å; Y315-P356 HydrophobicContact CE1-CB 4.43Å; Y315-P356 HydrophobicContact CE1-CG 3.66Å; Y315-F375 AromaticContact CD1-CD1 3.63Å; Y315-F375 HydrophobicContact CD1-CD1 3.63Å; Y315-F375 AromaticContact CD1-CE1 3.77Å; Y315-F375 HydrophobicContact CD1-CE1 3.77Å; Y315-F375 HydrophobicContact CE1-CD1 4.18Å; Y315-F375 HydrophobicContact CG-CE1 4.28Å
316	L	95.8	Very high	93.7	Very high	23 Å²	23	47.9 Å²	47.9	12%	0.12	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-40	176.9	-64.1	175.5	0	0	0	111.5	L277 L301 R312 N313 V318 M319 V320 W335 W411	L277-L316 HydrophobicContact CD2-CB 4.3Å; L277-L316 HydrophobicContact CD2-CD2 3.7Å; L277-L316 HydrophobicContact CG-CD2 4.48Å; L301-L316 HydrophobicContact CD1-CD2 3.78Å; L301-L316 HydrophobicContact CD1-CG 4.18Å; R312-L316 HydrophobicContact CG-CD1 3.97Å; R312-L316 HydrophobicContact CG-CG 4.33Å; R312-L316 WeakPolarHBondContact O-CG 3.43Å; R312-L316 PolarHBondContact O-N 3.3Å; N313-L316 PolarHBondContact O-N 3.48Å; L316-V318 PolarHBondContact O-N 2.68Å; L316-M319 WeakPolarHBondContact O-CB 3.37Å; L316-M319 PolarHBondContact O-N 2.71Å; L316-M319 VanDerWaalsContact O-N 3.16Å; L316-V320 WeakPolarHBondContact O-CG2 3.47Å; L316-V320 PolarHBondContact O-N 3.38Å; L316-W335 HydrophobicContact CD2-CB 4.38Å; L316-W335 HydrophobicContact CD2-CD2 3.76Å; L316-W335 HydrophobicContact CD2-CE3 4.46Å; L316-W335 HydrophobicContact CD2-CG 3.68Å; L316-W411 HydrophobicContact CD1-CZ3 4.05Å
317	D	95.7	Very high	93.5	Very high	77 Å²	77	44 Å²	44	41%	0.412	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-45	175.2	179.2	60.8	0	0	0	111.9	N313 G314 M319 V320 K321	N313-D317 WeakPolarHBondContact O-CB 3.47Å; N313-D317 PolarHBondContact O-N 2.86Å; G314-D317 PolarHBondContact O-N 2.61Å; D317-M319 VanDerWaalsContact C-N 3.29Å; D317-M319 PolarHBondContact O-N 3.18Å; D317-V320 PolarHBondContact O-N 3.06Å; D317-K321 WeakPolarHBondContact O-CG 3.36Å; D317-K321 PolarHBondContact O-N 3.46Å; D317-K321 WeakPolarHBondContact OD2-CE 3.47Å; D317-K321 IonicContact OD2-NZ 3.27Å; D317-K321 PolarHBondContact OD2-NZ 2.88Å
318	V	96.4	Very high	93	Very high	24 Å²	24	47.9 Å²	47.9	15%	0.145	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-43.6	174.6	172.6	0	0	0	0	110.7	G314 Y315 L316 K321 M322 E377 I380	G314-V318 WeakPolarHBondContact O-CG2 3.34Å; G314-V318 PolarHBondContact O-N 3.38Å; Y315-V318 PolarHBondContact O-N 3.28Å; L316-V318 PolarHBondContact O-N 2.68Å; V318-K321 PolarHBondContact O-N 3.37Å; V318-M322 VanDerWaalsContact O-CG 3.3Å; V318-M322 WeakPolarHBondContact O-CG 3.46Å; V318-M322 PolarHBondContact O-N 3Å; V318-E377 HydrophobicContact CG1-CG 4.06Å; V318-E377 HydrophobicContact CG2-CG 4.31Å; V318-I380 HydrophobicContact CG1-CD1 3.71Å
319	M	95.6	Very high	92.7	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-45.4	177.3	-74	-172.6	69.2	0	0	112.6	L277 A299 Y315 L316 D317 K321 M322 A323 W333 L334 W335 F375	L277-M319 HydrophobicContact CD1-CE 3.33Å; L277-M319 HydrophobicContact CD1-SD 4.21Å; L277-M319 HydrophobicContact CD2-CB 3.64Å; L277-M319 HydrophobicContact CD2-CE 4.25Å; L277-M319 HydrophobicContact CD2-SD 4.18Å; L277-M319 HydrophobicContact CG-CE 4.45Å; A299-M319 HydrophobicContact CB-CE 3.65Å; A299-M319 HydrophobicContact CB-SD 3.31Å; A299-M319 WeakPolarHBondContact CB-SD 3.35Å; Y315-M319 WeakPolarHBondContact O-CG 3.38Å; Y315-M319 PolarHBondContact O-N 3.47Å; L316-M319 WeakPolarHBondContact O-CB 3.37Å; L316-M319 PolarHBondContact O-N 2.71Å; L316-M319 VanDerWaalsContact O-N 3.16Å; D317-M319 VanDerWaalsContact C-N 3.29Å; D317-M319 PolarHBondContact O-N 3.18Å; M319-K321 VanDerWaalsContact C-N 3.34Å; M319-K321 PolarHBondContact O-N 3.26Å; M319-M322 CarbonylContact O-C 3.6Å; M319-M322 PolarHBondContact O-N 2.81Å; M319-M322 VanDerWaalsContact O-N 3.17Å; M319-A323 WeakPolarHBondContact O-CB 3.37Å; M319-A323 PolarHBondContact O-N 2.9Å; M319-W333 HydrophobicContact CE-CE3 4.2Å; M319-L334 WeakPolarHBondContact CE-O 3.47Å; M319-W335 HydrophobicContact CE-CB 4.3Å; M319-W335 HydrophobicContact SD-CB 4.18Å; M319-F375 HydrophobicContact CG-CE1 4.45Å; M319-F375 HydrophobicContact CG-CZ 4.1Å; M319-F375 HydrophobicContact SD-CZ 4.29Å
320	V	94.2	Very high	92.3	Very high	73 Å²	73	54.8 Å²	54.8	44%	0.442	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-43.9	177.9	169.2	0	0	0	0	110.8	L277 L316 D317 M322 A323 E324	L277-V320 HydrophobicContact CB-CG2 4.31Å; L277-V320 HydrophobicContact CD2-CG2 3.95Å; L316-V320 WeakPolarHBondContact O-CG2 3.47Å; L316-V320 PolarHBondContact O-N 3.38Å; D317-V320 PolarHBondContact O-N 3.06Å; V320-M322 VanDerWaalsContact C-N 3.32Å; V320-M322 PolarHBondContact O-N 3.17Å; V320-A323 WeakPolarHBondContact O-CB 3.09Å; V320-A323 PolarHBondContact O-N 2.87Å; V320-E324 PolarHBondContact O-N 2.85Å
321	K	94.3	Very high	92.2	Very high	85 Å²	85	50.3 Å²	50.3	37%	0.37	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-41.1	174.6	-73.5	171.6	179.1	162.1	0	112.5	D317 V318 M319 K325 E377	D317-K321 WeakPolarHBondContact O-CG 3.36Å; D317-K321 PolarHBondContact O-N 3.46Å; D317-K321 WeakPolarHBondContact OD2-CE 3.47Å; D317-K321 IonicContact OD2-NZ 3.27Å; D317-K321 PolarHBondContact OD2-NZ 2.88Å; V318-K321 PolarHBondContact O-N 3.37Å; M319-K321 VanDerWaalsContact C-N 3.34Å; M319-K321 PolarHBondContact O-N 3.26Å; K321-K325 WeakPolarHBondContact O-CB 3.44Å; K321-K325 PolarHBondContact O-N 3Å; K321-E377 WeakPolarHBondContact CD-OE1 3.41Å; K321-E377 IonicContact NZ-OE1 3.03Å; K321-E377 PolarHBondContact NZ-OE1 3.47Å
322	M	94.7	Very high	92.1	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-70.7	-37.8	177	-66.9	-58.8	101.4	0	0	111.7	V318 M319 V320 K325 Y326 W333 E377 I380 H381 L384	V318-M322 VanDerWaalsContact O-CG 3.3Å; V318-M322 WeakPolarHBondContact O-CG 3.46Å; V318-M322 PolarHBondContact O-N 3Å; M319-M322 CarbonylContact O-C 3.6Å; M319-M322 PolarHBondContact O-N 2.81Å; M319-M322 VanDerWaalsContact O-N 3.17Å; V320-M322 VanDerWaalsContact C-N 3.32Å; V320-M322 PolarHBondContact O-N 3.17Å; M322-K325 HydrophobicContact CE-CD 4.17Å; M322-K325 PolarHBondContact O-N 3.41Å; M322-K325 HydrophobicContact SD-CD 4.42Å; M322-Y326 WeakPolarHBondContact O-CB 2.99Å; M322-Y326 WeakPolarHBondContact O-CD2 3.33Å; M322-Y326 PolarHBondContact O-N 2.89Å; M322-W333 HydrophobicContact CB-CH2 3.7Å; M322-W333 HydrophobicContact CB-CZ3 4.06Å; M322-E377 HydrophobicContact CE-CB 3.94Å; M322-E377 HydrophobicContact CE-CG 4.07Å; M322-I380 HydrophobicContact CB-CG2 4.15Å; M322-I380 HydrophobicContact CG-CB 4.17Å; M322-I380 HydrophobicContact CG-CG2 3.7Å; M322-I380 HydrophobicContact SD-CG2 4.36Å; M322-H381 HydrophobicContact SD-CB 4.12Å; M322-L384 HydrophobicContact CB-CD1 4.45Å
323	A	92.4	Very high	92.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-59.4	-46.6	174	0	0	0	0	0	111.3	P275 M319 V320 Y326 K327 W333	P275-A323 HydrophobicContact CB-CB 4.2Å; P275-A323 WeakPolarHBondContact CD-O 3.37Å; P275-A323 HydrophobicContact CG-CB 3.95Å; P275-A323 WeakPolarHBondContact CG-O 3.46Å; M319-A323 WeakPolarHBondContact O-CB 3.37Å; M319-A323 PolarHBondContact O-N 2.9Å; V320-A323 WeakPolarHBondContact O-CB 3.09Å; V320-A323 PolarHBondContact O-N 2.87Å; A323-Y326 CarbonylContact O-C 3.56Å; A323-Y326 PolarHBondContact O-N 3.21Å; A323-K327 WeakPolarHBondContact O-CA 3.45Å; A323-K327 PolarHBondContact O-N 3.41Å; A323-W333 VanDerWaalsContact CA-CE2 3.46Å; A323-W333 VanDerWaalsContact CA-CZ2 3.46Å; A323-W333 HydrophobicContact CB-CD2 3.65Å; A323-W333 HydrophobicContact CB-CE3 4.15Å; A323-W333 HydrophobicContact CB-CG 3.85Å; A323-W333 HydrophobicContact CB-CZ2 4.12Å
324	E	89.2	Confident	92.1	Very high	75 Å²	75	45.4 Å²	45.4	35%	0.35	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-46.9	175.1	-177.7	58.3	-155.9	0	0	111.6	A274 V320 Y326 K327	A274-E324 WeakPolarHBondContact CA-OE2 3.48Å; A274-E324 WeakPolarHBondContact CB-OE2 3.29Å; V320-E324 PolarHBondContact O-N 2.85Å; E324-Y326 PolarHBondContact O-N 3.34Å; E324-K327 WeakPolarHBondContact O-CB 3.45Å; E324-K327 VanDerWaalsContact O-CG 3.28Å; E324-K327 WeakPolarHBondContact O-CG 3.49Å; E324-K327 PolarHBondContact O-N 2.9Å; E324-K327 WeakPolarHBondContact OE1-CD 3.37Å; E324-K327 WeakPolarHBondContact OE1-CE 3.35Å; E324-K327 IonicContact OE1-NZ 3.97Å; E324-K327 PolarHBondContact OE1-NZ 3.22Å
325	K	89.9	Confident	92.2	Very high	117 Å²	117	44.3 Å²	44.3	51%	0.509	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-33.4	179.2	-172.8	174.5	-173.5	-179.7	0	112.9	K321 M322 H381	K321-K325 WeakPolarHBondContact O-CB 3.44Å; K321-K325 PolarHBondContact O-N 3Å; M322-K325 HydrophobicContact CE-CD 4.17Å; M322-K325 PolarHBondContact O-N 3.41Å; M322-K325 HydrophobicContact SD-CD 4.42Å; K325-H381 VanDerWaalsContact CE-CE1 3.4Å; K325-H381 WeakPolarHBondContact CE-CE1 2.98Å; K325-H381 WeakPolarHBondContact CE-ND1 3.47Å; K325-H381 PolarHBondContact NZ-CD2 3.01Å; K325-H381 VanDerWaalsContact NZ-CD2 3.32Å; K325-H381 PolarHBondContact NZ-CE1 2.76Å; K325-H381 VanDerWaalsContact NZ-CG 3.28Å; K325-H381 PolarHBondContact NZ-ND1 3.38Å; K325-H381 VanDerWaalsContact NZ-ND1 3.18Å; K325-H381 PolarHBondContact NZ-NE2 3.02Å
326	Y	89.9	Confident	92.2	Very high	17 Å²	17	41.3 Å²	41.3	7%	0.067	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	12.9	-178.4	-75.7	-93.2	0	0	0	113.8	M322 A323 E324 K328 K329 W331 H381 L384 R385	M322-Y326 WeakPolarHBondContact O-CB 2.99Å; M322-Y326 WeakPolarHBondContact O-CD2 3.33Å; M322-Y326 PolarHBondContact O-N 2.89Å; A323-Y326 CarbonylContact O-C 3.56Å; A323-Y326 PolarHBondContact O-N 3.21Å; E324-Y326 PolarHBondContact O-N 3.34Å; Y326-K328 PolarHBondContact O-N 2.72Å; Y326-K329 HydrophobicContact CD1-CG 4.21Å; Y326-K329 WeakPolarHBondContact O-CB 3.34Å; Y326-K329 PolarHBondContact O-N 3.04Å; Y326-W331 HydrophobicContact CD1-CE3 4.44Å; Y326-W331 AromaticContact CD1-CH2 3.94Å; Y326-W331 HydrophobicContact CD1-CH2 3.94Å; Y326-W331 AromaticContact CD1-CZ3 3.62Å; Y326-W331 HydrophobicContact CD1-CZ3 3.62Å; Y326-W331 HydrophobicContact CE1-CH2 4.26Å; Y326-W331 HydrophobicContact CE1-CZ3 4.17Å; Y326-W331 HydrophobicContact CG-CZ3 4.09Å; Y326-H381 AromaticContact CE2-ND1 3.52Å; Y326-H381 AromaticContact CZ-ND1 3.5Å; Y326-H381 PolarHBondContact OH-CE1 2.91Å; Y326-H381 VanDerWaalsContact OH-CE1 3.27Å; Y326-H381 PolarHBondContact OH-ND1 2.9Å; Y326-H381 PolarHBondContact OH-O 3.43Å; Y326-L384 HydrophobicContact CD1-CB 4.35Å; Y326-L384 HydrophobicContact CD2-CB 4.42Å; Y326-L384 HydrophobicContact CD2-CD1 3.88Å; Y326-L384 HydrophobicContact CE1-CB 3.78Å; Y326-L384 HydrophobicContact CE2-CB 3.88Å; Y326-L384 HydrophobicContact CE2-CD1 3.91Å; Y326-L384 HydrophobicContact CG-CD1 4.35Å; Y326-R385 PolarHBondContact OH-N 3.46Å; Y326-R385 VanDerWaalsContact OH-N 3.13Å
327	K	86.2	Confident	92.2	Very high	44 Å²	44	41.9 Å²	41.9	19%	0.191	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-53.5	-33.7	-176.3	70.9	-173.9	-178.2	-179.4	0	114	P275 A323 E324 K329 L330	P275-K327 HydrophobicContact CG-CB 4.29Å; A323-K327 WeakPolarHBondContact O-CA 3.45Å; A323-K327 PolarHBondContact O-N 3.41Å; E324-K327 WeakPolarHBondContact O-CB 3.45Å; E324-K327 VanDerWaalsContact O-CG 3.28Å; E324-K327 WeakPolarHBondContact O-CG 3.49Å; E324-K327 PolarHBondContact O-N 2.9Å; E324-K327 WeakPolarHBondContact OE1-CD 3.37Å; E324-K327 WeakPolarHBondContact OE1-CE 3.35Å; E324-K327 IonicContact OE1-NZ 3.97Å; E324-K327 PolarHBondContact OE1-NZ 3.22Å; K327-K329 PolarHBondContact O-N 3.39Å; K327-L330 PolarHBondContact O-N 3.45Å
328	K	81.5	Confident	92.2	Very high	119 Å²	119	38.8 Å²	38.8	52%	0.517	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-60.5	-17.1	176	-54.9	-164.5	-168.7	-159.9	0	114.3	D270 Y326	D270-K328 WeakPolarHBondContact OD1-CD 2.94Å; D270-K328 WeakPolarHBondContact OD1-CE 3.36Å; D270-K328 IonicContact OD1-NZ 2.74Å; D270-K328 PolarHBondContact OD1-NZ 3.41Å; Y326-K328 PolarHBondContact O-N 2.72Å
329	K	85.4	Confident	91.9	Very high	95 Å²	95	39.4 Å²	39.4	41%	0.413	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-88.7	-9.4	178.4	-61.3	-61.1	-175.9	-179.2	0	113.3	Y326 K327 W331	Y326-K329 HydrophobicContact CD1-CG 4.21Å; Y326-K329 WeakPolarHBondContact O-CB 3.34Å; Y326-K329 PolarHBondContact O-N 3.04Å; K327-K329 PolarHBondContact O-N 3.39Å; K329-W331 HydrophobicContact CB-CD2 3.69Å; K329-W331 VanDerWaalsContact CB-CE2 3.47Å; K329-W331 HydrophobicContact CB-CE3 4.29Å; K329-W331 HydrophobicContact CB-CG 3.93Å; K329-W331 HydrophobicContact CB-CH2 4.49Å; K329-W331 HydrophobicContact CB-CZ2 3.93Å; K329-W331 HydrophobicContact CD-CZ2 4.34Å; K329-W331 HydrophobicContact CG-CD2 4.43Å; K329-W331 HydrophobicContact CG-CH2 4.21Å; K329-W331 HydrophobicContact CG-CZ2 3.88Å; K329-W331 PolarHBondContact O-N 3Å; K329-W331 VanDerWaalsContact O-N 3.14Å
330	L	85.2	Confident	91.8	Very high	79 Å²	79	40.3 Å²	40.3	41%	0.414	20%	0.204	S	C	.	.			trans	50.8	37.6	179.3	-55.2	173.5	0	0	0	112.4	F268 A272 S293 K327	F268-L330 HydrophobicContact CD1-CD1 4.36Å; F268-L330 HydrophobicContact CE1-CD1 3.79Å; F268-L330 HydrophobicContact CE1-CD2 4.43Å; A272-L330 HydrophobicContact CB-CD2 4.22Å; S293-L330 WeakPolarHBondContact CB-O 3.47Å; S293-L330 PolarHBondContact OG-O 3.43Å; K327-L330 PolarHBondContact O-N 3.45Å
331	W	91.1	Very high	91.9	Very high	10 Å²	10	36.9 Å²	36.9	4%	0.038	18%	0.183	C	C	.	.			trans	-77.9	146.8	175.2	-64.5	-16.9	0	0	0	110.5	L295 I297 Y326 K329 W333 L384	L295-W331 HydrophobicContact CB-CD2 4.23Å; L295-W331 HydrophobicContact CB-CG 3.98Å; L295-W331 HydrophobicContact CD1-CD2 4.43Å; L295-W331 HydrophobicContact CD1-CZ2 3.79Å; L295-W331 VanDerWaalsContact O-CA 3.32Å; L295-W331 WeakPolarHBondContact O-CA 3.3Å; L295-W331 WeakPolarHBondContact O-CB 3.49Å; I297-W331 HydrophobicContact CD1-CE3 4.09Å; I297-W331 HydrophobicContact CG1-CB 4.4Å; I297-W331 HydrophobicContact CG1-CE3 4.11Å; Y326-W331 HydrophobicContact CD1-CE3 4.44Å; Y326-W331 AromaticContact CD1-CH2 3.94Å; Y326-W331 HydrophobicContact CD1-CH2 3.94Å; Y326-W331 AromaticContact CD1-CZ3 3.62Å; Y326-W331 HydrophobicContact CD1-CZ3 3.62Å; Y326-W331 HydrophobicContact CE1-CH2 4.26Å; Y326-W331 HydrophobicContact CE1-CZ3 4.17Å; Y326-W331 HydrophobicContact CG-CZ3 4.09Å; K329-W331 HydrophobicContact CB-CD2 3.69Å; K329-W331 VanDerWaalsContact CB-CE2 3.47Å; K329-W331 HydrophobicContact CB-CE3 4.29Å; K329-W331 HydrophobicContact CB-CG 3.93Å; K329-W331 HydrophobicContact CB-CH2 4.49Å; K329-W331 HydrophobicContact CB-CZ2 3.93Å; K329-W331 HydrophobicContact CD-CZ2 4.34Å; K329-W331 HydrophobicContact CG-CD2 4.43Å; K329-W331 HydrophobicContact CG-CH2 4.21Å; K329-W331 HydrophobicContact CG-CZ2 3.88Å; K329-W331 PolarHBondContact O-N 3Å; K329-W331 VanDerWaalsContact O-N 3.14Å; W331-W333 HydrophobicContact CE3-CZ2 4.48Å; W331-W333 PolarHBondContact O-NE1 2.9Å; W331-L384 HydrophobicContact CE3-CD2 4.32Å; W331-L384 HydrophobicContact CH2-CB 4.38Å; W331-L384 HydrophobicContact CZ3-CB 3.92Å; W331-L384 HydrophobicContact CZ3-CD1 4.31Å; W331-L384 HydrophobicContact CZ3-CD2 3.78Å; W331-L384 HydrophobicContact CZ3-CG 4.19Å
332	G	92.8	Very high	91.7	Very high	5 Å²	5	38.1 Å²	38.1	5%	0.052	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	143.7	171	0	0	0	0	0	110.1	S293 L295 C296 I297	S293-G332 PolarHBondContact OG-N 3.41Å; L295-G332 PolarHBondContact O-N 3.12Å; C296-G332 CarbonylContact C-O 3.49Å; C296-G332 WeakPolarHBondContact CA-O 3.33Å; I297-G332 PolarHBondContact N-O 3.1Å
333	W	95.3	Very high	91.6	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121	-179.2	-68.7	83.3	0	0	0	110	P275 L277 L278 I297 M319 M322 A323 W331 L384	P275-W333 VanDerWaalsContact CB-CD1 3.46Å; P275-W333 HydrophobicContact CB-CG 4.32Å; L277-W333 HydrophobicContact CD1-CB 4.13Å; L278-W333 PolarHBondContact N-O 3.07Å; I297-W333 HydrophobicContact CB-CD2 4.14Å; I297-W333 HydrophobicContact CB-CE3 3.9Å; I297-W333 HydrophobicContact CB-CZ3 4.13Å; I297-W333 HydrophobicContact CG1-CD2 4.35Å; I297-W333 HydrophobicContact CG1-CE3 4.4Å; I297-W333 HydrophobicContact CG1-CH2 4.33Å; I297-W333 HydrophobicContact CG1-CZ2 4.22Å; I297-W333 HydrophobicContact CG1-CZ3 4.41Å; I297-W333 HydrophobicContact CG2-CE3 3.94Å; I297-W333 HydrophobicContact CG2-CH2 4.38Å; I297-W333 HydrophobicContact CG2-CZ3 3.8Å; M319-W333 HydrophobicContact CE-CE3 4.2Å; M322-W333 HydrophobicContact CB-CH2 3.7Å; M322-W333 HydrophobicContact CB-CZ3 4.06Å; A323-W333 VanDerWaalsContact CA-CE2 3.46Å; A323-W333 VanDerWaalsContact CA-CZ2 3.46Å; A323-W333 HydrophobicContact CB-CD2 3.65Å; A323-W333 HydrophobicContact CB-CE3 4.15Å; A323-W333 HydrophobicContact CB-CG 3.85Å; A323-W333 HydrophobicContact CB-CZ2 4.12Å; W331-W333 HydrophobicContact CE3-CZ2 4.48Å; W331-W333 PolarHBondContact O-NE1 2.9Å; W333-L384 HydrophobicContact CH2-CD1 3.48Å; W333-L384 VanDerWaalsContact CH2-CD1 3.48Å; W333-L384 HydrophobicContact CZ2-CD1 4.15Å; W333-L384 HydrophobicContact CZ3-CD1 4.39Å
334	L	96.8	Very high	91.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.4	-176.6	-65.4	172.9	0	0	0	110.7	L278 I280 V285 L286 T289 C290 I297 I298 A299 M319	L278-L334 HydrophobicContact CB-CD2 3.79Å; L278-L334 CarbonylContact O-C 3.56Å; L278-L334 VanDerWaalsContact O-CA 3.26Å; L278-L334 WeakPolarHBondContact O-CA 3.41Å; I280-L334 HydrophobicContact CD1-CB 4.02Å; I280-L334 HydrophobicContact CD1-CD1 4.25Å; I280-L334 HydrophobicContact CG1-CB 3.88Å; I280-L334 HydrophobicContact CG1-CD1 4.12Å; I280-L334 HydrophobicContact CG1-CD2 4.32Å; I280-L334 HydrophobicContact CG1-CG 4.35Å; V285-L334 HydrophobicContact CG1-CD2 3.99Å; L286-L334 HydrophobicContact CD1-CD1 3.46Å; L286-L334 VanDerWaalsContact CD1-CD1 3.46Å; T289-L334 HydrophobicContact CG2-CD1 4.23Å; T289-L334 HydrophobicContact CG2-CD2 3.83Å; T289-L334 HydrophobicContact CG2-CG 3.86Å; C290-L334 VanDerWaalsContact SG-CD1 3.58Å; I297-L334 PolarHBondContact O-N 3.04Å; I298-L334 VanDerWaalsContact CA-O 3.32Å; I298-L334 WeakPolarHBondContact CA-O 3.4Å; I298-L334 HydrophobicContact CD1-CD1 4.35Å; I298-L334 HydrophobicContact CG1-CB 4.23Å; I298-L334 HydrophobicContact CG1-CD1 4.45Å; A299-L334 PolarHBondContact N-O 3.17Å; M319-L334 WeakPolarHBondContact CE-O 3.47Å
335	W	97.4	Very high	91.8	Very high	14 Å²	14	38.8 Å²	38.8	5%	0.053	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.5	167.8	73.7	-78.7	0	0	0	111.3	L277 L278 E279 I280 A299 L301 L316 M319 W411	L277-W335 HydrophobicContact CD1-CB 4.37Å; L277-W335 HydrophobicContact CD1-CG 4.46Å; L278-W335 PolarHBondContact O-N 3.42Å; E279-W335 CarbonylContact C-O 3.24Å; E279-W335 WeakPolarHBondContact CA-O 3.49Å; E279-W335 HydrophobicContact CB-CD2 4.49Å; E279-W335 HydrophobicContact CB-CZ2 3.75Å; E279-W335 VanDerWaalsContact CD-CH2 3.49Å; E279-W335 VanDerWaalsContact CD-CZ2 3.46Å; E279-W335 HydrophobicContact CG-CD2 4.33Å; E279-W335 HydrophobicContact CG-CH2 3.93Å; E279-W335 HydrophobicContact CG-CZ2 3.63Å; E279-W335 HydrophobicContact CG-CZ3 4.42Å; E279-W335 WeakPolarHBondContact OE1-CH2 3.36Å; I280-W335 WeakPolarHBondContact CG1-O 3.21Å; I280-W335 PolarHBondContact N-O 3.01Å; A299-W335 HydrophobicContact CB-CB 4.31Å; A299-W335 CarbonylContact O-C 3.52Å; A299-W335 WeakPolarHBondContact O-CA 3.23Å; L301-W335 HydrophobicContact CD1-CB 4.47Å; L301-W335 HydrophobicContact CD1-CD2 4.18Å; L301-W335 HydrophobicContact CD1-CE3 3.68Å; L301-W335 HydrophobicContact CD1-CZ3 4.34Å; L301-W335 HydrophobicContact CG-CE3 4.14Å; L316-W335 HydrophobicContact CD2-CB 4.38Å; L316-W335 HydrophobicContact CD2-CD2 3.76Å; L316-W335 HydrophobicContact CD2-CE3 4.46Å; L316-W335 HydrophobicContact CD2-CG 3.68Å; M319-W335 HydrophobicContact CE-CB 4.3Å; M319-W335 HydrophobicContact SD-CB 4.18Å; W335-W411 HydrophobicContact CH2-CB 4.17Å; W335-W411 HydrophobicContact CH2-CE3 4.26Å; W335-W411 HydrophobicContact CZ2-CE3 4.4Å
336	T	96.9	Very high	91.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.2	171.6	-178.4	0	0	0	0	109.3	I280 A299 V300 L301 Q341	I280-T336 HydrophobicContact CD1-CG2 4.4Å; A299-T336 PolarHBondContact O-N 2.86Å; V300-T336 WeakPolarHBondContact CA-O 3.45Å; V300-T336 HydrophobicContact CB-CG2 4.34Å; V300-T336 HydrophobicContact CG1-CG2 4.16Å; V300-T336 HydrophobicContact CG2-CG2 3.91Å; L301-T336 PolarHBondContact N-O 3.15Å; T336-Q341 HydrophobicContact CG2-CB 4.43Å; T336-Q341 HydrophobicContact CG2-CG 4.34Å; T336-Q341 VanDerWaalsContact OG1-CG 3.26Å; T336-Q341 WeakPolarHBondContact OG1-CG 3.36Å
337	E	95.8	Very high	91.9	Very high	36 Å²	36	37.4 Å²	37.4	17%	0.168	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144	166	-172.3	175.2	83.1	0	0	110.5	H303 I304 R312 G339 A340	H303-E337 IonicContact CD2-OE1 3.7Å; H303-E337 PolarHBondContact CD2-OE1 3.19Å; H303-E337 IonicContact CD2-OE2 2.7Å; H303-E337 IonicContact NE2-OE1 3.04Å; H303-E337 PolarHBondContact NE2-OE1 3.07Å; I304-E337 PolarHBondContact N-OE2 3.34Å; I304-E337 VanDerWaalsContact N-OE2 3.1Å; R312-E337 IonicContact CZ-OE2 3.18Å; R312-E337 VanDerWaalsContact CZ-OE2 3.27Å; R312-E337 IonicContact NH1-OE2 3.44Å; R312-E337 PolarHBondContact NH1-OE2 2.74Å; R312-E337 IonicContact NH2-OE2 3.78Å; R312-E337 PolarHBondContact NH2-OE2 3.49Å; E337-G339 PolarHBondContact O-N 3.43Å; E337-A340 HydrophobicContact CB-CB 4.26Å; E337-A340 VanDerWaalsContact O-CB 3.3Å; E337-A340 WeakPolarHBondContact O-CB 3.33Å; E337-A340 PolarHBondContact O-N 2.92Å
338	A	94.6	Very high	92.1	Very high	11 Å²	11	35.3 Å²	35.3	9%	0.091	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	129.3	171.9	0	0	0	0	0	111.2	V300 L301 A340 Y355	V300-A338 HydrophobicContact CG1-CB 4.16Å; L301-A338 VanDerWaalsContact O-CB 3.24Å; L301-A338 WeakPolarHBondContact O-CB 3.33Å; L301-A338 PolarHBondContact O-N 2.96Å; A338-A340 VanDerWaalsContact C-N 3.27Å; A338-A340 PolarHBondContact O-N 3.03Å; A338-Y355 HydrophobicContact CB-CD1 3.7Å; A338-Y355 HydrophobicContact CB-CD2 3.62Å; A338-Y355 HydrophobicContact CB-CE1 3.56Å; A338-Y355 HydrophobicContact CB-CE2 3.5Å; A338-Y355 HydrophobicContact CB-CG 3.72Å; A338-Y355 VanDerWaalsContact CB-CZ 3.46Å
339	G	91.9	Very high	92.5	Very high	38 Å²	38	31.8 Å²	31.8	39%	0.392	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-14	-179	0	0	0	0	0	114.2	E337 E345	E337-G339 PolarHBondContact O-N 3.43Å; G339-E345 PolarHBondContact N-OE1 2.88Å
340	A	93.4	Very high	92.7	Very high	20 Å²	20	28.1 Å²	28.1	17%	0.165	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-35.7	176.3	0	0	0	0	0	111.9	E337 A338 N406 V408	E337-A340 HydrophobicContact CB-CB 4.26Å; E337-A340 VanDerWaalsContact O-CB 3.3Å; E337-A340 WeakPolarHBondContact O-CB 3.33Å; E337-A340 PolarHBondContact O-N 2.92Å; A338-A340 VanDerWaalsContact C-N 3.27Å; A338-A340 PolarHBondContact O-N 3.03Å; A340-N406 PolarHBondContact O-ND2 2.68Å; A340-V408 HydrophobicContact CB-CG1 4.24Å
341	Q	94.4	Very high	92.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	59.1	-172.9	-57.7	-62	-13.7	0	0	111.6	I280 T336 E343 L344 E345 N406	I280-Q341 HydrophobicContact CG2-CG 4.3Å; I280-Q341 PolarHBondContact O-NE2 2.84Å; I280-Q341 VanDerWaalsContact O-NE2 3.12Å; T336-Q341 HydrophobicContact CG2-CB 4.43Å; T336-Q341 HydrophobicContact CG2-CG 4.34Å; T336-Q341 VanDerWaalsContact OG1-CG 3.26Å; T336-Q341 WeakPolarHBondContact OG1-CG 3.36Å; Q341-E343 VanDerWaalsContact C-N 3.33Å; Q341-E343 PolarHBondContact O-N 2.88Å; Q341-L344 HydrophobicContact CB-CB 4.02Å; Q341-L344 HydrophobicContact CB-CD2 4.28Å; Q341-L344 WeakPolarHBondContact O-CB 3.45Å; Q341-L344 PolarHBondContact O-N 2.77Å; Q341-E345 WeakPolarHBondContact O-CG 3.29Å; Q341-E345 PolarHBondContact O-N 2.98Å; Q341-N406 PolarHBondContact NE2-O 2.75Å
342	L	92	Very high	91.6	Very high	111 Å²	111	29.3 Å²	29.3	58%	0.581	22%	0.215	S	C	*	.	H	α-helix	trans	-52	-42.7	-173.4	-66.7	172.8	0	0	0	114.5	E345 A346	L342-E345 PolarHBondContact O-N 3.37Å; L342-A346 VanDerWaalsContact O-CB 3.27Å; L342-A346 WeakPolarHBondContact O-CB 3.48Å; L342-A346 PolarHBondContact O-N 2.85Å
343	E	91.4	Very high	90.8	Very high	91 Å²	91	38.6 Å²	38.6	43%	0.425	26%	0.255	S	S	.	.	H	α-helix	trans	-68.1	-36.3	179.6	-72.2	-169.3	-151	0	0	112.6	Q341 S347 P403 K404	Q341-E343 VanDerWaalsContact C-N 3.33Å; Q341-E343 PolarHBondContact O-N 2.88Å; E343-S347 VanDerWaalsContact O-CB 3.23Å; E343-S347 WeakPolarHBondContact O-CB 3.35Å; E343-S347 PolarHBondContact O-N 2.87Å; E343-S347 PolarHBondContact O-OG 2.92Å; E343-P403 HydrophobicContact CB-CB 4.37Å; E343-K404 WeakPolarHBondContact OE2-CB 3.42Å; E343-K404 PolarHBondContact OE2-N 2.82Å
344	L	92.4	Very high	90.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.3	-47.1	174.9	175.3	63.8	0	0	0	110.4	I280 I298 Q341 S347 L348 I361 P403 I405	I280-L344 HydrophobicContact CD1-CD2 3.89Å; I298-L344 HydrophobicContact CD1-CD2 4.37Å; I298-L344 HydrophobicContact CG2-CD2 4.48Å; Q341-L344 HydrophobicContact CB-CB 4.02Å; Q341-L344 HydrophobicContact CB-CD2 4.28Å; Q341-L344 WeakPolarHBondContact O-CB 3.45Å; Q341-L344 PolarHBondContact O-N 2.77Å; L344-S347 PolarHBondContact O-N 3.28Å; L344-L348 HydrophobicContact CD1-CD1 3.8Å; L344-L348 HydrophobicContact CD1-CG 4.22Å; L344-L348 HydrophobicContact CG-CD1 3.96Å; L344-L348 WeakPolarHBondContact O-CB 3.49Å; L344-L348 VanDerWaalsContact O-CG 3.28Å; L344-L348 WeakPolarHBondContact O-CG 3.45Å; L344-L348 PolarHBondContact O-N 3.2Å; L344-I361 HydrophobicContact CD1-CD1 4.38Å; L344-P403 HydrophobicContact CB-CG 4.17Å; L344-P403 HydrophobicContact CD1-CG 3.58Å; L344-P403 HydrophobicContact CG-CG 4.5Å; L344-I405 HydrophobicContact CB-CD1 4.02Å; L344-I405 HydrophobicContact CD2-CD1 4.03Å; L344-I405 HydrophobicContact CG-CD1 4.47Å
345	E	93.1	Very high	90.1	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-48.8	177.2	-70.8	179	-116.5	0	0	111.4	V300 G339 Q341 L342 S347 L348 G349 I350 Y355	V300-E345 HydrophobicContact CG1-CG 4.13Å; V300-E345 HydrophobicContact CG2-CG 4.23Å; G339-E345 PolarHBondContact N-OE1 2.88Å; Q341-E345 WeakPolarHBondContact O-CG 3.29Å; Q341-E345 PolarHBondContact O-N 2.98Å; L342-E345 PolarHBondContact O-N 3.37Å; E345-S347 VanDerWaalsContact C-N 3.34Å; E345-S347 PolarHBondContact O-N 2.93Å; E345-L348 CarbonylContact O-C 3.57Å; E345-L348 PolarHBondContact O-N 3.04Å; E345-G349 PolarHBondContact O-N 3.01Å; E345-I350 HydrophobicContact CB-CB 4.37Å; E345-I350 HydrophobicContact CG-CG2 4.45Å; E345-I350 PolarHBondContact O-N 2.97Å; E345-Y355 WeakPolarHBondContact OE2-CE1 3.5Å; E345-Y355 VanDerWaalsContact OE2-CZ 3.28Å; E345-Y355 PolarHBondContact OE2-OH 3.08Å
346	A	91.6	Very high	90	Very high	72 Å²	72	45.1 Å²	45.1	60%	0.595	30%	0.296	S	S	*	.	H	α-helix	trans	-59.9	-42.7	176.2	0	0	0	0	0	112.2	L342 L348 G349	L342-A346 VanDerWaalsContact O-CB 3.27Å; L342-A346 WeakPolarHBondContact O-CB 3.48Å; L342-A346 PolarHBondContact O-N 2.85Å; A346-L348 VanDerWaalsContact C-N 3.25Å; A346-L348 PolarHBondContact O-N 3.34Å; A346-G349 PolarHBondContact O-N 2.51Å
347	S	91.5	Very high	89.9	Confident	33 Å²	33	46 Å²	46	23%	0.231	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-26.7	179.3	-65.4	0	0	0	0	113.5	E343 L344 E345	E343-S347 VanDerWaalsContact O-CB 3.23Å; E343-S347 WeakPolarHBondContact O-CB 3.35Å; E343-S347 PolarHBondContact O-N 2.87Å; E343-S347 PolarHBondContact O-OG 2.92Å; L344-S347 PolarHBondContact O-N 3.28Å; E345-S347 VanDerWaalsContact C-N 3.34Å; E345-S347 PolarHBondContact O-N 2.93Å
348	L	90.8	Very high	90	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-88.9	-7.7	173.8	-66.4	171.7	0	0	0	112.7	L344 E345 A346 I350 A359 I361 F368 L397	L344-L348 HydrophobicContact CD1-CD1 3.8Å; L344-L348 HydrophobicContact CD1-CG 4.22Å; L344-L348 HydrophobicContact CG-CD1 3.96Å; L344-L348 WeakPolarHBondContact O-CB 3.49Å; L344-L348 VanDerWaalsContact O-CG 3.28Å; L344-L348 WeakPolarHBondContact O-CG 3.45Å; L344-L348 PolarHBondContact O-N 3.2Å; E345-L348 CarbonylContact O-C 3.57Å; E345-L348 PolarHBondContact O-N 3.04Å; A346-L348 VanDerWaalsContact C-N 3.25Å; A346-L348 PolarHBondContact O-N 3.34Å; L348-I350 HydrophobicContact CB-CB 4.47Å; L348-I350 HydrophobicContact CB-CD1 3.72Å; L348-I350 HydrophobicContact CB-CG1 3.79Å; L348-I350 HydrophobicContact CD1-CD1 3.79Å; L348-I350 HydrophobicContact CG-CD1 4.4Å; L348-I350 PolarHBondContact O-N 2.88Å; L348-A359 HydrophobicContact CD1-CB 3.88Å; L348-A359 HydrophobicContact CD2-CB 3.87Å; L348-A359 HydrophobicContact CG-CB 4.4Å; L348-I361 HydrophobicContact CD1-CD1 4.21Å; L348-I361 HydrophobicContact CD2-CD1 3.79Å; L348-I361 HydrophobicContact CD2-CG1 4.01Å; L348-I361 HydrophobicContact CG-CD1 4.5Å; L348-F368 HydrophobicContact CB-CE2 4.39Å; L348-F368 HydrophobicContact CD2-CB 3.91Å; L348-F368 HydrophobicContact CD2-CD1 4.12Å; L348-F368 HydrophobicContact CD2-CD2 3.63Å; L348-F368 HydrophobicContact CD2-CE2 4.11Å; L348-F368 HydrophobicContact CD2-CG 3.62Å; L348-F368 WeakPolarHBondContact O-CE2 3.34Å; L348-F368 WeakPolarHBondContact O-CZ 3.28Å; L348-L397 HydrophobicContact CD2-CD1 3.5Å; L348-L397 HydrophobicContact CG-CD1 4.11Å
349	G	89.5	Confident	90	Very high	45 Å²	45	43.8 Å²	43.8	46%	0.464	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	27.7	-172.1	0	0	0	0	0	113.1	E345 A346	E345-G349 PolarHBondContact O-N 3.01Å; A346-G349 PolarHBondContact O-N 2.51Å
350	I	89.4	Confident	90.2	Very high	18 Å²	18	42.1 Å²	42.1	9%	0.092	27%	0.273	C	S	.	.			trans	-89.5	146.4	175.7	-64.9	174.7	0	0	0	108.8	V300 E345 L348 Y355 A357 A359 L370	V300-I350 HydrophobicContact CB-CG2 4.26Å; V300-I350 HydrophobicContact CG2-CD1 3.91Å; V300-I350 HydrophobicContact CG2-CG2 4.19Å; E345-I350 HydrophobicContact CB-CB 4.37Å; E345-I350 HydrophobicContact CG-CG2 4.45Å; E345-I350 PolarHBondContact O-N 2.97Å; L348-I350 HydrophobicContact CB-CB 4.47Å; L348-I350 HydrophobicContact CB-CD1 3.72Å; L348-I350 HydrophobicContact CB-CG1 3.79Å; L348-I350 HydrophobicContact CD1-CD1 3.79Å; L348-I350 HydrophobicContact CG-CD1 4.4Å; L348-I350 PolarHBondContact O-N 2.88Å; I350-Y355 HydrophobicContact CG2-CD1 4.36Å; I350-Y355 HydrophobicContact CG2-CE1 3.75Å; I350-A357 HydrophobicContact CD1-CB 4.14Å; I350-A357 HydrophobicContact CG1-CB 4.23Å; I350-A357 HydrophobicContact CG2-CB 3.63Å; I350-A359 HydrophobicContact CD1-CB 4.36Å; I350-L370 HydrophobicContact CD1-CD2 4.12Å; I350-L370 HydrophobicContact CG1-CD2 4.03Å
351	G	77.6	Confident	90.1	Very high	40 Å²	40	41.2 Å²	41.2	41%	0.412	27%	0.266	S	S	.	.	S	Bend	trans	119.6	-26.3	-179.2	0	0	0	0	0	113.8
352	G	75.7	Confident	90	Very high	74 Å²	74	42.1 Å²	42.1	76%	0.763	27%	0.271	S	S	*	.	S	Bend	trans	-81.2	-29.2	178.3	0	0	0	0	0	115.1
353	F	75	Confident	89.7	Confident	200 Å²	200	38 Å²	38	88%	0.877	25%	0.253	S	S	*	.	S	Bend	trans	-100.2	2.5	-175	-61.1	-79.2	0	0	0	113.7
354	G	85.1	Confident	89.5	Confident	38 Å²	38	42 Å²	42	39%	0.392	26%	0.264	S	S	.	.			trans	83.7	177.8	-175.3	0	0	0	0	0	113.9
355	Y	93	Very high	89.3	Confident	82 Å²	82	49.3 Å²	49.3	32%	0.322	30%	0.295	S	S	.	.	S	Bend	trans	-117.4	152	-179	-55.4	-77.5	0	0	0	109.9	V300 A338 E345 I350	V300-Y355 HydrophobicContact CB-CD1 4.11Å; V300-Y355 HydrophobicContact CB-CE1 4.16Å; V300-Y355 HydrophobicContact CG1-CD1 3.63Å; V300-Y355 HydrophobicContact CG1-CE1 3.39Å; A338-Y355 HydrophobicContact CB-CD1 3.7Å; A338-Y355 HydrophobicContact CB-CD2 3.62Å; A338-Y355 HydrophobicContact CB-CE1 3.56Å; A338-Y355 HydrophobicContact CB-CE2 3.5Å; A338-Y355 HydrophobicContact CB-CG 3.72Å; A338-Y355 VanDerWaalsContact CB-CZ 3.46Å; E345-Y355 WeakPolarHBondContact OE2-CE1 3.5Å; E345-Y355 VanDerWaalsContact OE2-CZ 3.28Å; E345-Y355 PolarHBondContact OE2-OH 3.08Å; I350-Y355 HydrophobicContact CG2-CD1 4.36Å; I350-Y355 HydrophobicContact CG2-CE1 3.75Å
356	P	95.3	Very high	89.1	Confident	33 Å²	33	50.6 Å²	50.6	21%	0.214	30%	0.302	C	S	.	.	S	Bend	cis	-73.8	147.5	1.1	31.7	-38.5	0	0	0	113.5	V300 L301 Y315 F375	V300-P356 CarbonylContact O-C 3.58Å; V300-P356 VanDerWaalsContact O-CA 3.31Å; V300-P356 WeakPolarHBondContact O-CA 3.41Å; L301-P356 HydrophobicContact CD2-CB 4.16Å; Y315-P356 HydrophobicContact CD1-CG 4.18Å; Y315-P356 HydrophobicContact CE1-CB 4.43Å; Y315-P356 HydrophobicContact CE1-CG 3.66Å; P356-F375 HydrophobicContact CB-CB 4.26Å; P356-F375 HydrophobicContact CB-CD1 4.23Å; P356-F375 HydrophobicContact CB-CD2 3.64Å; P356-F375 HydrophobicContact CB-CE2 3.94Å; P356-F375 HydrophobicContact CB-CG 3.79Å; P356-F375 HydrophobicContact CB-CZ 4.37Å; P356-F375 HydrophobicContact CG-CB 3.49Å; P356-F375 VanDerWaalsContact CG-CB 3.49Å; P356-F375 HydrophobicContact CG-CD1 3.99Å; P356-F375 HydrophobicContact CG-CD2 3.87Å; P356-F375 HydrophobicContact CG-CG 3.52Å
357	A	95.3	Very high	89.1	Confident	18 Å²	18	51.7 Å²	51.7	15%	0.149	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.8	174.6	0	0	0	0	0	110.7	A299 V300 I350	A299-A357 CarbonylContact C-O 3.55Å; A299-A357 WeakPolarHBondContact CA-O 3.31Å; V300-A357 HydrophobicContact CB-CB 4.49Å; V300-A357 PolarHBondContact N-O 2.95Å; V300-A357 PolarHBondContact O-N 3.25Å; I350-A357 HydrophobicContact CD1-CB 4.14Å; I350-A357 HydrophobicContact CG1-CB 4.23Å; I350-A357 HydrophobicContact CG2-CB 3.63Å
358	M	95.9	Very high	89.2	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.5	177.1	178.8	-179.3	-72	0	0	111.5	I297 I298 A299 L371 F375 I380 F383	I297-M358 HydrophobicContact CG2-CE 4.14Å; I297-M358 HydrophobicContact CG2-CG 3.98Å; I297-M358 HydrophobicContact CG2-SD 3.69Å; I298-M358 CarbonylContact O-C 3.54Å; I298-M358 WeakPolarHBondContact O-CA 3.07Å; A299-M358 HydrophobicContact CB-CE 4.49Å; M358-L371 HydrophobicContact CB-CB 3.83Å; M358-L371 HydrophobicContact CB-CD2 3.94Å; M358-L371 HydrophobicContact CG-CB 4.47Å; M358-L371 PolarHBondContact O-N 2.83Å; M358-L371 HydrophobicContact SD-CD2 4.46Å; M358-F375 HydrophobicContact CB-CD2 4.33Å; M358-F375 HydrophobicContact CB-CE2 4.04Å; M358-F375 HydrophobicContact CE-CE2 3.79Å; M358-F375 HydrophobicContact CE-CZ 3.97Å; M358-I380 HydrophobicContact CE-CD1 3.72Å; M358-I380 HydrophobicContact CE-CG1 3.91Å; M358-I380 HydrophobicContact CE-CG2 4.03Å; M358-I380 HydrophobicContact SD-CG1 4.15Å; M358-I380 HydrophobicContact SD-CG2 3.93Å; M358-F383 HydrophobicContact CG-CE1 4.36Å; M358-F383 HydrophobicContact SD-CD1 4.24Å; M358-F383 HydrophobicContact SD-CE1 4.27Å
359	A	95.2	Very high	89.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.9	173.1	0	0	0	0	0	111	I298 L348 I350 I361 A369 L370	I298-A359 PolarHBondContact N-O 3.44Å; I298-A359 PolarHBondContact O-N 3Å; L348-A359 HydrophobicContact CD1-CB 3.88Å; L348-A359 HydrophobicContact CD2-CB 3.87Å; L348-A359 HydrophobicContact CG-CB 4.4Å; I350-A359 HydrophobicContact CD1-CB 4.36Å; A359-I361 HydrophobicContact CB-CG1 4.43Å; A359-A369 CarbonylContact C-O 3.46Å; A359-A369 VanDerWaalsContact CA-O 3.31Å; A359-A369 WeakPolarHBondContact CA-O 3.4Å; A359-L370 HydrophobicContact CB-CD2 3.76Å
360	A	95.5	Very high	89.6	Confident	3 Å²	3	51.6 Å²	51.6	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.5	165.6	0	0	0	0	0	108.8	C296 I297 F368 A369 F383 L387	C296-A360 CarbonylContact O-C 3.55Å; C296-A360 WeakPolarHBondContact O-CA 3.03Å; I297-A360 HydrophobicContact CD1-CB 3.59Å; A360-F368 CarbonylContact O-C 3.49Å; A360-F368 WeakPolarHBondContact O-CA 3.4Å; A360-A369 PolarHBondContact N-O 3.34Å; A360-A369 PolarHBondContact O-N 2.94Å; A360-F383 HydrophobicContact CB-CE1 4.14Å; A360-F383 HydrophobicContact CB-CZ 3.96Å; A360-L387 HydrophobicContact CB-CD1 3.3Å
361	I	93.2	Very high	89.8	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.8	-175.2	-54.5	-179.7	0	0	0	110	L295 C296 I298 L344 L348 A359 F368 L397	L295-I361 CarbonylContact C-O 3.54Å; L295-I361 WeakPolarHBondContact CA-O 3.43Å; C296-I361 PolarHBondContact N-O 3.48Å; C296-I361 PolarHBondContact O-N 2.99Å; I298-I361 HydrophobicContact CD1-CD1 3.5Å; I298-I361 HydrophobicContact CD1-CG1 4.44Å; I298-I361 HydrophobicContact CG1-CD1 4.18Å; L344-I361 HydrophobicContact CD1-CD1 4.38Å; L348-I361 HydrophobicContact CD1-CD1 4.21Å; L348-I361 HydrophobicContact CD2-CD1 3.79Å; L348-I361 HydrophobicContact CD2-CG1 4.01Å; L348-I361 HydrophobicContact CG-CD1 4.5Å; A359-I361 HydrophobicContact CB-CG1 4.43Å; I361-F368 HydrophobicContact CG1-CB 4.04Å; I361-L397 HydrophobicContact CG2-CD2 3.81Å
362	N	91.2	Very high	90.4	Very high	20 Å²	20	60.1 Å²	60.1	11%	0.107	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	98.8	163.7	-171	-63.9	0	0	0	108.7	Q294 L295 R364 K365 M366 K367	Q294-N362 PolarHBondContact O-ND2 2.97Å; L295-N362 HydrophobicContact CD2-CB 3.97Å; N362-R364 VanDerWaalsContact C-N 3.26Å; N362-R364 PolarHBondContact O-N 2.97Å; N362-R364 PolarHBondContact OD1-N 3.4Å; N362-K365 HydrophobicContact CB-CB 4.32Å; N362-K365 PolarHBondContact O-N 3.24Å; N362-K365 WeakPolarHBondContact OD1-CB 3.39Å; N362-K365 WeakPolarHBondContact OD1-CG 3.33Å; N362-K365 PolarHBondContact OD1-N 3.24Å; N362-M366 PolarHBondContact O-N 3.42Å; N362-K367 PolarHBondContact N-O 3.42Å; N362-K367 PolarHBondContact O-N 3Å
363	A	86.3	Confident	91	Very high	25 Å²	25	59 Å²	59	21%	0.207	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-32	-176.4	0	0	0	0	0	112.8	C290	C290-A363 HydrophobicContact CB-CB 4.45Å
364	R	85.9	Confident	91.9	Very high	174 Å²	174	53 Å²	53	66%	0.657	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-36.7	178.7	-74.2	-179.4	-81.5	-157.5	-12.4	113.4	S293 N362	S293-R364 PolarHBondContact O-NH2 3.5Å; N362-R364 VanDerWaalsContact C-N 3.26Å; N362-R364 PolarHBondContact O-N 2.97Å; N362-R364 PolarHBondContact OD1-N 3.4Å
365	K	88.5	Confident	92.4	Very high	153 Å²	153	52.7 Å²	52.7	67%	0.665	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-5.9	-179.1	-66.5	-177.6	178.9	179.6	0	113	N362 K367	N362-K365 HydrophobicContact CB-CB 4.32Å; N362-K365 PolarHBondContact O-N 3.24Å; N362-K365 WeakPolarHBondContact OD1-CB 3.39Å; N362-K365 WeakPolarHBondContact OD1-CG 3.33Å; N362-K365 PolarHBondContact OD1-N 3.24Å; K365-K367 HydrophobicContact CB-CG 4.43Å; K365-K367 PolarHBondContact O-N 3.08Å
366	M	88.9	Confident	92.5	Very high	31 Å²	31	50.6 Å²	50.6	15%	0.153	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	43.7	-174.1	-60.7	-55.1	-62.5	0	0	112.4	N362 L397 V401 M402	N362-M366 PolarHBondContact O-N 3.42Å; M366-L397 HydrophobicContact CE-CB 4.2Å; M366-L397 HydrophobicContact CE-CD2 3.79Å; M366-L397 HydrophobicContact CE-CG 4.18Å; M366-L397 PolarHBondContact O-N 3.42Å; M366-V401 VanDerWaalsContact CE-O 3.28Å; M366-V401 WeakPolarHBondContact CE-O 3.27Å; M366-M402 HydrophobicContact CE-CB 4.42Å; M366-M402 VanDerWaalsContact CE-N 3.27Å
367	K	91.4	Very high	92.5	Very high	96 Å²	96	53 Å²	53	42%	0.417	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.6	178.6	-72.5	-172.6	177.9	-167.5	0	110.4	N362 K365 A395	N362-K367 PolarHBondContact N-O 3.42Å; N362-K367 PolarHBondContact O-N 3Å; K365-K367 HydrophobicContact CB-CG 4.43Å; K365-K367 PolarHBondContact O-N 3.08Å; K367-A395 CarbonylContact C-O 3.54Å; K367-A395 VanDerWaalsContact CA-O 3.26Å; K367-A395 WeakPolarHBondContact CA-O 3.32Å
368	F	93.4	Very high	92.5	Very high	16 Å²	16	56.6 Å²	56.6	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	160.3	173	73.2	-81.3	0	0	0	111.8	L348 A360 I361 L370 T394 A395 T396 L397	L348-F368 HydrophobicContact CB-CE2 4.39Å; L348-F368 HydrophobicContact CD2-CB 3.91Å; L348-F368 HydrophobicContact CD2-CD1 4.12Å; L348-F368 HydrophobicContact CD2-CD2 3.63Å; L348-F368 HydrophobicContact CD2-CE2 4.11Å; L348-F368 HydrophobicContact CD2-CG 3.62Å; L348-F368 WeakPolarHBondContact O-CE2 3.34Å; L348-F368 WeakPolarHBondContact O-CZ 3.28Å; A360-F368 CarbonylContact O-C 3.49Å; A360-F368 WeakPolarHBondContact O-CA 3.4Å; I361-F368 HydrophobicContact CG1-CB 4.04Å; F368-L370 HydrophobicContact CD2-CD2 3.88Å; F368-L370 HydrophobicContact CD2-CG 3.96Å; F368-L370 HydrophobicContact CE2-CD1 4.02Å; F368-L370 HydrophobicContact CE2-CD2 3.77Å; F368-L370 HydrophobicContact CE2-CG 3.63Å; F368-T394 CarbonylContact O-C 3.6Å; F368-T394 WeakPolarHBondContact O-CA 3.21Å; F368-A395 HydrophobicContact CD1-CB 4.21Å; F368-A395 HydrophobicContact CE1-CB 3.61Å; F368-A395 HydrophobicContact CE2-CB 4.32Å; F368-A395 HydrophobicContact CZ-CB 3.67Å; F368-A395 PolarHBondContact N-O 2.76Å; F368-A395 PolarHBondContact O-N 3.38Å; F368-T396 WeakPolarHBondContact CE1-O 3.18Å; F368-L397 HydrophobicContact CD1-CB 4.03Å; F368-L397 HydrophobicContact CD1-CD1 4.09Å
369	A	94.7	Very high	92.6	Very high	5 Å²	5	56.7 Å²	56.7	4%	0.041	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142	168.1	0	0	0	0	0	108.7	A359 A360 F383 L387	A359-A369 CarbonylContact C-O 3.46Å; A359-A369 VanDerWaalsContact CA-O 3.31Å; A359-A369 WeakPolarHBondContact CA-O 3.4Å; A360-A369 PolarHBondContact N-O 3.34Å; A360-A369 PolarHBondContact O-N 2.94Å; A369-F383 HydrophobicContact CB-CE2 4.03Å; A369-F383 HydrophobicContact CB-CZ 4.17Å; A369-L387 HydrophobicContact CB-CD2 3.75Å
370	L	94.1	Very high	92.6	Very high	55 Å²	55	56.7 Å²	56.7	29%	0.288	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	142.2	176.7	-64.5	175.4	0	0	0	110.6	I350 A359 F368 R372 F383	I350-L370 HydrophobicContact CD1-CD2 4.12Å; I350-L370 HydrophobicContact CG1-CD2 4.03Å; A359-L370 HydrophobicContact CB-CD2 3.76Å; F368-L370 HydrophobicContact CD2-CD2 3.88Å; F368-L370 HydrophobicContact CD2-CG 3.96Å; F368-L370 HydrophobicContact CE2-CD1 4.02Å; F368-L370 HydrophobicContact CE2-CD2 3.77Å; F368-L370 HydrophobicContact CE2-CG 3.63Å; L370-R372 PolarHBondContact O-N 2.84Å; L370-F383 WeakPolarHBondContact O-CE2 3.41Å
371	L	94.3	Very high	92.7	Very high	26 Å²	26	59.2 Å²	59.2	14%	0.136	30%	0.297	C	S	.	.			trans	-64.1	118.4	165.2	175.5	65	0	0	0	108.7	M358 F375 I380 F383	M358-L371 HydrophobicContact CB-CB 3.83Å; M358-L371 HydrophobicContact CB-CD2 3.94Å; M358-L371 HydrophobicContact CG-CB 4.47Å; M358-L371 PolarHBondContact O-N 2.83Å; M358-L371 HydrophobicContact SD-CD2 4.46Å; L371-F375 HydrophobicContact CD2-CD2 4.17Å; L371-I380 HydrophobicContact CD2-CG1 3.95Å; L371-F383 HydrophobicContact CB-CD1 4.06Å; L371-F383 HydrophobicContact CB-CE1 4.18Å; L371-F383 HydrophobicContact CB-CG 4.3Å; L371-F383 HydrophobicContact CD1-CB 3.44Å; L371-F383 VanDerWaalsContact CD1-CB 3.44Å; L371-F383 HydrophobicContact CD1-CD1 3.99Å; L371-F383 HydrophobicContact CD1-CD2 4.45Å; L371-F383 HydrophobicContact CD1-CG 3.73Å
372	R	90.1	Very high	92.8	Very high	212 Å²	212	64.3 Å²	64.3	80%	0.8	32%	0.321	S	S	*	.			trans	-98.3	-14.5	174.6	-62	-171.6	-178.9	-167.9	0.2	113.5	L370	L370-R372 PolarHBondContact O-N 2.84Å
373	G	89.2	Confident	93	Very high	50 Å²	50	64.3 Å²	64.3	52%	0.515	32%	0.32	S	S	.	.	S	Bend	trans	-86.4	-170.1	178	0	0	0	0	0	112.4
374	S	93.1	Very high	93.4	Very high	73 Å²	73	63.1 Å²	63.1	51%	0.51	31%	0.31	S	S	.	.			trans	-70.7	146.3	175.5	59.8	0	0	0	0	111.7	S376 G379	S374-S376 PolarHBondContact O-N 3.49Å; S374-S376 PolarHBondContact OG-OG 2.93Å; S374-G379 WeakPolarHBondContact O-CA 3.49Å
375	F	95.5	Very high	93.7	Very high	32 Å²	32	60.3 Å²	60.3	14%	0.14	30%	0.3	C	S	.	.	S	Bend	trans	-76.2	74.9	168.6	-158.8	-76.9	0	0	0	109.6	A299 L301 Y315 M319 P356 M358 L371 I380	A299-F375 HydrophobicContact CB-CE2 3.92Å; A299-F375 HydrophobicContact CB-CZ 3.87Å; L301-F375 HydrophobicContact CD2-CE1 4.4Å; L301-F375 HydrophobicContact CD2-CE2 4.43Å; L301-F375 HydrophobicContact CD2-CZ 3.88Å; Y315-F375 AromaticContact CD1-CD1 3.63Å; Y315-F375 HydrophobicContact CD1-CD1 3.63Å; Y315-F375 AromaticContact CD1-CE1 3.77Å; Y315-F375 HydrophobicContact CD1-CE1 3.77Å; Y315-F375 HydrophobicContact CE1-CD1 4.18Å; Y315-F375 HydrophobicContact CG-CE1 4.28Å; M319-F375 HydrophobicContact CG-CE1 4.45Å; M319-F375 HydrophobicContact CG-CZ 4.1Å; M319-F375 HydrophobicContact SD-CZ 4.29Å; P356-F375 HydrophobicContact CB-CB 4.26Å; P356-F375 HydrophobicContact CB-CD1 4.23Å; P356-F375 HydrophobicContact CB-CD2 3.64Å; P356-F375 HydrophobicContact CB-CE2 3.94Å; P356-F375 HydrophobicContact CB-CG 3.79Å; P356-F375 HydrophobicContact CB-CZ 4.37Å; P356-F375 HydrophobicContact CG-CB 3.49Å; P356-F375 VanDerWaalsContact CG-CB 3.49Å; P356-F375 HydrophobicContact CG-CD1 3.99Å; P356-F375 HydrophobicContact CG-CD2 3.87Å; P356-F375 HydrophobicContact CG-CG 3.52Å; M358-F375 HydrophobicContact CB-CD2 4.33Å; M358-F375 HydrophobicContact CB-CE2 4.04Å; M358-F375 HydrophobicContact CE-CE2 3.79Å; M358-F375 HydrophobicContact CE-CZ 3.97Å; L371-F375 HydrophobicContact CD2-CD2 4.17Å; F375-I380 HydrophobicContact CD1-CD1 3.97Å; F375-I380 HydrophobicContact CD2-CD1 4.46Å; F375-I380 HydrophobicContact CE1-CD1 3.99Å; F375-I380 HydrophobicContact CG-CD1 4.21Å; F375-I380 HydrophobicContact CZ-CD1 4.27Å
376	S	95.8	Very high	93.9	Very high	38 Å²	38	57 Å²	57	27%	0.266	29%	0.287	S	S	.	.	S	Bend	trans	-140.5	165.3	-179.8	66.4	0	0	0	0	109.8	S374 T378 G379 I380	S374-S376 PolarHBondContact O-N 3.49Å; S374-S376 PolarHBondContact OG-OG 2.93Å; S376-T378 PolarHBondContact O-N 2.99Å; S376-G379 PolarHBondContact O-N 3.02Å; S376-G379 PolarHBondContact OG-N 2.87Å; S376-G379 VanDerWaalsContact OG-N 3.14Å; S376-I380 WeakPolarHBondContact O-CB 3.41Å; S376-I380 WeakPolarHBondContact O-CG1 3.39Å; S376-I380 PolarHBondContact O-N 2.99Å
377	E	95.5	Very high	94	Very high	84 Å²	84	56.8 Å²	56.8	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-52.5	-43.2	176.3	-65	-173.9	-162.4	0	0	111.7	V318 K321 M322 H381	V318-E377 HydrophobicContact CG1-CG 4.06Å; V318-E377 HydrophobicContact CG2-CG 4.31Å; K321-E377 WeakPolarHBondContact CD-OE1 3.41Å; K321-E377 IonicContact NZ-OE1 3.03Å; K321-E377 PolarHBondContact NZ-OE1 3.47Å; M322-E377 HydrophobicContact CE-CB 3.94Å; M322-E377 HydrophobicContact CE-CG 4.07Å; E377-H381 WeakPolarHBondContact O-CB 3.04Å; E377-H381 PolarHBondContact O-N 3.07Å
378	T	95.6	Very high	93.9	Very high	93 Å²	93	54.1 Å²	54.1	57%	0.571	28%	0.28	S	S	*	.	H	α-helix	trans	-68	-50.4	178.4	-51.1	0	0	0	0	112	S376 I380 H381 E382	S376-T378 PolarHBondContact O-N 2.99Å; T378-I380 PolarHBondContact O-N 2.85Å; T378-H381 PolarHBondContact O-N 2.95Å; T378-E382 WeakPolarHBondContact O-CG 3.45Å; T378-E382 PolarHBondContact O-N 2.8Å
379	G	96.3	Very high	93.6	Very high	5 Å²	5	57.5 Å²	57.5	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-41.2	-176.2	0	0	0	0	0	112.7	S374 S376 F383	S374-G379 WeakPolarHBondContact O-CA 3.49Å; S376-G379 PolarHBondContact O-N 3.02Å; S376-G379 PolarHBondContact OG-N 2.87Å; S376-G379 VanDerWaalsContact OG-N 3.14Å; G379-F383 WeakPolarHBondContact O-CB 3.06Å; G379-F383 PolarHBondContact O-N 3.42Å; G379-F383 VanDerWaalsContact O-N 3.13Å
380	I	97	Very high	93	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-67	-43.3	174.7	-65	164.2	0	0	0	110	V318 M322 M358 L371 F375 S376 T378 E382 F383 L384	V318-I380 HydrophobicContact CG1-CD1 3.71Å; M322-I380 HydrophobicContact CB-CG2 4.15Å; M322-I380 HydrophobicContact CG-CB 4.17Å; M322-I380 HydrophobicContact CG-CG2 3.7Å; M322-I380 HydrophobicContact SD-CG2 4.36Å; M358-I380 HydrophobicContact CE-CD1 3.72Å; M358-I380 HydrophobicContact CE-CG1 3.91Å; M358-I380 HydrophobicContact CE-CG2 4.03Å; M358-I380 HydrophobicContact SD-CG1 4.15Å; M358-I380 HydrophobicContact SD-CG2 3.93Å; L371-I380 HydrophobicContact CD2-CG1 3.95Å; F375-I380 HydrophobicContact CD1-CD1 3.97Å; F375-I380 HydrophobicContact CD2-CD1 4.46Å; F375-I380 HydrophobicContact CE1-CD1 3.99Å; F375-I380 HydrophobicContact CG-CD1 4.21Å; F375-I380 HydrophobicContact CZ-CD1 4.27Å; S376-I380 WeakPolarHBondContact O-CB 3.41Å; S376-I380 WeakPolarHBondContact O-CG1 3.39Å; S376-I380 PolarHBondContact O-N 2.99Å; T378-I380 PolarHBondContact O-N 2.85Å; I380-E382 PolarHBondContact O-N 3.38Å; I380-F383 PolarHBondContact O-N 3.5Å; I380-L384 HydrophobicContact CG2-CD1 3.59Å; I380-L384 HydrophobicContact CG2-CG 3.97Å; I380-L384 WeakPolarHBondContact O-CB 3.32Å; I380-L384 VanDerWaalsContact O-CG 3.25Å; I380-L384 WeakPolarHBondContact O-CG 3.44Å; I380-L384 PolarHBondContact O-N 2.99Å
381	H	95.7	Very high	92.3	Very high	55 Å²	55	66.4 Å²	66.4	26%	0.255	35%	0.352	S	S	.	.	H	α-helix	trans	-59.1	-45.1	176.9	179.1	51.1	0	0	0	112.4	M322 K325 Y326 E377 T378 R385	M322-H381 HydrophobicContact SD-CB 4.12Å; K325-H381 VanDerWaalsContact CE-CE1 3.4Å; K325-H381 WeakPolarHBondContact CE-CE1 2.98Å; K325-H381 WeakPolarHBondContact CE-ND1 3.47Å; K325-H381 PolarHBondContact NZ-CD2 3.01Å; K325-H381 VanDerWaalsContact NZ-CD2 3.32Å; K325-H381 PolarHBondContact NZ-CE1 2.76Å; K325-H381 VanDerWaalsContact NZ-CG 3.28Å; K325-H381 PolarHBondContact NZ-ND1 3.38Å; K325-H381 VanDerWaalsContact NZ-ND1 3.18Å; K325-H381 PolarHBondContact NZ-NE2 3.02Å; Y326-H381 AromaticContact CE2-ND1 3.52Å; Y326-H381 AromaticContact CZ-ND1 3.5Å; Y326-H381 PolarHBondContact OH-CE1 2.91Å; Y326-H381 VanDerWaalsContact OH-CE1 3.27Å; Y326-H381 PolarHBondContact OH-ND1 2.9Å; Y326-H381 PolarHBondContact OH-O 3.43Å; E377-H381 WeakPolarHBondContact O-CB 3.04Å; E377-H381 PolarHBondContact O-N 3.07Å; T378-H381 PolarHBondContact O-N 2.95Å; H381-R385 WeakPolarHBondContact O-CB 3.47Å; H381-R385 PolarHBondContact O-N 2.92Å
382	E	95.3	Very high	91.3	Very high	108 Å²	108	67.3 Å²	67.3	51%	0.505	37%	0.368	S	S	.	.	H	α-helix	trans	-59.9	-48.8	177.1	-74.8	177.7	174.5	0	0	111.7	T378 I380 R385 E386	T378-E382 WeakPolarHBondContact O-CG 3.45Å; T378-E382 PolarHBondContact O-N 2.8Å; I380-E382 PolarHBondContact O-N 3.38Å; E382-R385 PolarHBondContact O-N 2.99Å; E382-E386 WeakPolarHBondContact O-CG 3.48Å; E382-E386 PolarHBondContact O-N 2.86Å
383	F	95.6	Very high	90.7	Very high	19 Å²	19	61.3 Å²	61.3	8%	0.083	36%	0.359	C	S	.	.	H	α-helix	trans	-57.9	-52.1	177.8	171.7	-120.6	0	0	0	112.6	M358 A360 A369 L370 L371 G379 I380 R385 E386 L387	M358-F383 HydrophobicContact CG-CE1 4.36Å; M358-F383 HydrophobicContact SD-CD1 4.24Å; M358-F383 HydrophobicContact SD-CE1 4.27Å; A360-F383 HydrophobicContact CB-CE1 4.14Å; A360-F383 HydrophobicContact CB-CZ 3.96Å; A369-F383 HydrophobicContact CB-CE2 4.03Å; A369-F383 HydrophobicContact CB-CZ 4.17Å; L370-F383 WeakPolarHBondContact O-CE2 3.41Å; L371-F383 HydrophobicContact CB-CD1 4.06Å; L371-F383 HydrophobicContact CB-CE1 4.18Å; L371-F383 HydrophobicContact CB-CG 4.3Å; L371-F383 HydrophobicContact CD1-CB 3.44Å; L371-F383 VanDerWaalsContact CD1-CB 3.44Å; L371-F383 HydrophobicContact CD1-CD1 3.99Å; L371-F383 HydrophobicContact CD1-CD2 4.45Å; L371-F383 HydrophobicContact CD1-CG 3.73Å; G379-F383 WeakPolarHBondContact O-CB 3.06Å; G379-F383 PolarHBondContact O-N 3.42Å; G379-F383 VanDerWaalsContact O-N 3.13Å; I380-F383 PolarHBondContact O-N 3.5Å; F383-R385 VanDerWaalsContact C-N 3.31Å; F383-R385 PolarHBondContact O-N 3.32Å; F383-E386 PolarHBondContact O-N 3.12Å; F383-L387 HydrophobicContact CD1-CD1 4.37Å; F383-L387 HydrophobicContact CD2-CD1 4.32Å; F383-L387 HydrophobicContact CD2-CG 4.5Å; F383-L387 HydrophobicContact CE1-CD1 3.86Å; F383-L387 HydrophobicContact CE2-CD1 3.82Å; F383-L387 HydrophobicContact CE2-CD2 4.46Å; F383-L387 HydrophobicContact CE2-CG 4.2Å; F383-L387 HydrophobicContact CZ-CD1 3.57Å; F383-L387 HydrophobicContact CZ-CG 4.43Å; F383-L387 WeakPolarHBondContact O-CG 3.26Å; F383-L387 PolarHBondContact O-N 3.2Å; F383-L387 VanDerWaalsContact O-N 3.14Å
384	L	95	Very high	90.6	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-65.4	-35.4	-179.9	-68.3	-177.3	0	0	0	112.3	I297 M322 Y326 W331 W333 I380 L387 S388	I297-L384 HydrophobicContact CD1-CD2 3.61Å; I297-L384 HydrophobicContact CG1-CD2 4.1Å; I297-L384 HydrophobicContact CG2-CD2 4.47Å; M322-L384 HydrophobicContact CB-CD1 4.45Å; Y326-L384 HydrophobicContact CD1-CB 4.35Å; Y326-L384 HydrophobicContact CD2-CB 4.42Å; Y326-L384 HydrophobicContact CD2-CD1 3.88Å; Y326-L384 HydrophobicContact CE1-CB 3.78Å; Y326-L384 HydrophobicContact CE2-CB 3.88Å; Y326-L384 HydrophobicContact CE2-CD1 3.91Å; Y326-L384 HydrophobicContact CG-CD1 4.35Å; W331-L384 HydrophobicContact CE3-CD2 4.32Å; W331-L384 HydrophobicContact CH2-CB 4.38Å; W331-L384 HydrophobicContact CZ3-CB 3.92Å; W331-L384 HydrophobicContact CZ3-CD1 4.31Å; W331-L384 HydrophobicContact CZ3-CD2 3.78Å; W331-L384 HydrophobicContact CZ3-CG 4.19Å; W333-L384 HydrophobicContact CH2-CD1 3.48Å; W333-L384 VanDerWaalsContact CH2-CD1 3.48Å; W333-L384 HydrophobicContact CZ2-CD1 4.15Å; W333-L384 HydrophobicContact CZ3-CD1 4.39Å; I380-L384 HydrophobicContact CG2-CD1 3.59Å; I380-L384 HydrophobicContact CG2-CG 3.97Å; I380-L384 WeakPolarHBondContact O-CB 3.32Å; I380-L384 VanDerWaalsContact O-CG 3.25Å; I380-L384 WeakPolarHBondContact O-CG 3.44Å; I380-L384 PolarHBondContact O-N 2.99Å; L384-L387 HydrophobicContact CD2-CD1 4.41Å; L384-L387 PolarHBondContact O-N 3.4Å; L384-S388 WeakPolarHBondContact O-CB 3.34Å; L384-S388 PolarHBondContact O-N 3.49Å
385	R	93.6	Very high	90.4	Very high	115 Å²	115	61.2 Å²	61.2	43%	0.434	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-43.5	174.9	-173.9	-172.6	66.3	80.3	6.2	111	Y326 H381 E382 F383 S388 V389	Y326-R385 PolarHBondContact OH-N 3.46Å; Y326-R385 VanDerWaalsContact OH-N 3.13Å; H381-R385 WeakPolarHBondContact O-CB 3.47Å; H381-R385 PolarHBondContact O-N 2.92Å; E382-R385 PolarHBondContact O-N 2.99Å; F383-R385 VanDerWaalsContact C-N 3.31Å; F383-R385 PolarHBondContact O-N 3.32Å; R385-S388 PolarHBondContact O-N 2.93Å; R385-S388 PolarHBondContact O-OG 3.3Å; R385-V389 PolarHBondContact O-N 2.87Å
386	E	92.5	Very high	90	Very high	83 Å²	83	64 Å²	64	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-61.1	-46.2	176.7	-72.3	-175.2	167	0	0	112.1	E382 F383 S388 V389 G390 R391	E382-E386 WeakPolarHBondContact O-CG 3.48Å; E382-E386 PolarHBondContact O-N 2.86Å; F383-E386 PolarHBondContact O-N 3.12Å; E386-S388 VanDerWaalsContact C-N 3.26Å; E386-S388 PolarHBondContact O-N 3.42Å; E386-V389 WeakPolarHBondContact O-CG2 3.29Å; E386-V389 PolarHBondContact O-N 2.97Å; E386-V389 VanDerWaalsContact O-N 3.14Å; E386-G390 PolarHBondContact O-N 3.44Å; E386-R391 CarbonylContact C-O 3.5Å; E386-R391 VanDerWaalsContact C-O 3.24Å; E386-R391 HydrophobicContact CB-CB 4.28Å; E386-R391 PolarHBondContact O-N 2.98Å; E386-R391 VanDerWaalsContact O-O 3.11Å
387	L	91.3	Very high	89.5	Confident	27 Å²	27	62.2 Å²	62.2	14%	0.141	36%	0.357	C	S	.	.	H	α-helix	trans	-60.1	-38	176.6	-66.7	176.6	0	0	0	112.3	L295 A360 A369 F383 L384 V389 G390 R391	L295-L387 HydrophobicContact CD1-CB 4.31Å; A360-L387 HydrophobicContact CB-CD1 3.3Å; A369-L387 HydrophobicContact CB-CD2 3.75Å; F383-L387 HydrophobicContact CD1-CD1 4.37Å; F383-L387 HydrophobicContact CD2-CD1 4.32Å; F383-L387 HydrophobicContact CD2-CG 4.5Å; F383-L387 HydrophobicContact CE1-CD1 3.86Å; F383-L387 HydrophobicContact CE2-CD1 3.82Å; F383-L387 HydrophobicContact CE2-CD2 4.46Å; F383-L387 HydrophobicContact CE2-CG 4.2Å; F383-L387 HydrophobicContact CZ-CD1 3.57Å; F383-L387 HydrophobicContact CZ-CG 4.43Å; F383-L387 WeakPolarHBondContact O-CG 3.26Å; F383-L387 PolarHBondContact O-N 3.2Å; F383-L387 VanDerWaalsContact O-N 3.14Å; L384-L387 HydrophobicContact CD2-CD1 4.41Å; L384-L387 PolarHBondContact O-N 3.4Å; L387-V389 PolarHBondContact O-N 3.31Å; L387-G390 PolarHBondContact O-N 3.4Å; L387-R391 PolarHBondContact N-O 3.24Å
388	S	87.4	Confident	88.2	Confident	41 Å²	41	59.9 Å²	59.9	29%	0.287	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-23.4	180	79.3	0	0	0	0	113.9	L384 R385 E386	L384-S388 WeakPolarHBondContact O-CB 3.34Å; L384-S388 PolarHBondContact O-N 3.49Å; R385-S388 PolarHBondContact O-N 2.93Å; R385-S388 PolarHBondContact O-OG 3.3Å; E386-S388 VanDerWaalsContact C-N 3.26Å; E386-S388 PolarHBondContact O-N 3.42Å
389	V	87.9	Confident	87	Confident	86 Å²	86	59.1 Å²	59.1	52%	0.521	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	13.5	176.2	-60.9	0	0	0	0	112.6	R385 E386 L387 R391	R385-V389 PolarHBondContact O-N 2.87Å; E386-V389 WeakPolarHBondContact O-CG2 3.29Å; E386-V389 PolarHBondContact O-N 2.97Å; E386-V389 VanDerWaalsContact O-N 3.14Å; L387-V389 PolarHBondContact O-N 3.31Å; V389-R391 VanDerWaalsContact C-N 3.28Å; V389-R391 HydrophobicContact CG2-CB 4.2Å; V389-R391 HydrophobicContact CG2-CG 3.95Å; V389-R391 PolarHBondContact O-N 2.93Å
390	G	81.9	Confident	86	Confident	72 Å²	72	60.6 Å²	60.6	74%	0.742	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	20.6	178.2	0	0	0	0	0	114.3	E386 L387	E386-G390 PolarHBondContact O-N 3.44Å; L387-G390 PolarHBondContact O-N 3.4Å
391	R	79	Confident	85.1	Confident	175 Å²	175	65.6 Å²	65.6	66%	0.66	41%	0.412	S	S	*	.			trans	-97.6	150.1	173.5	-66.9	179.9	-179.1	177.5	0.4	109.4	E386 L387 V389	E386-R391 CarbonylContact C-O 3.5Å; E386-R391 VanDerWaalsContact C-O 3.24Å; E386-R391 HydrophobicContact CB-CB 4.28Å; E386-R391 PolarHBondContact O-N 2.98Å; E386-R391 VanDerWaalsContact O-O 3.11Å; L387-R391 PolarHBondContact N-O 3.24Å; V389-R391 VanDerWaalsContact C-N 3.28Å; V389-R391 HydrophobicContact CG2-CB 4.2Å; V389-R391 HydrophobicContact CG2-CG 3.95Å; V389-R391 PolarHBondContact O-N 2.93Å
392	G	73.4	Confident	84.5	Confident	46 Å²	46	65.9 Å²	65.9	47%	0.474	41%	0.414	S	S	.	.	S	Bend	trans	128	147.5	179.4	0	0	0	0	0	112.5
393	S	78.1	Confident	84.1	Confident	86 Å²	86	61.4 Å²	61.4	60%	0.601	39%	0.394	S	S	*	.			trans	-77	123.1	174.2	-176.9	0	0	0	0	109.1
394	T	88	Confident	83.7	Confident	74 Å²	74	66 Å²	66	45%	0.454	42%	0.415	S	S	.	.			trans	-108.7	141.2	176.8	63.5	0	0	0	0	111	F368	F368-T394 CarbonylContact O-C 3.6Å; F368-T394 WeakPolarHBondContact O-CA 3.21Å
395	A	87.8	Confident	83.6	Confident	47 Å²	47	66.5 Å²	66.5	39%	0.388	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	163.5	169.8	0	0	0	0	0	111	K367 F368	K367-A395 CarbonylContact C-O 3.54Å; K367-A395 VanDerWaalsContact CA-O 3.26Å; K367-A395 WeakPolarHBondContact CA-O 3.32Å; F368-A395 HydrophobicContact CD1-CB 4.21Å; F368-A395 HydrophobicContact CE1-CB 3.61Å; F368-A395 HydrophobicContact CE2-CB 4.32Å; F368-A395 HydrophobicContact CZ-CB 3.67Å; F368-A395 PolarHBondContact N-O 2.76Å; F368-A395 PolarHBondContact O-N 3.38Å
396	T	88	Confident	83.5	Confident	91 Å²	91	63.9 Å²	63.9	56%	0.558	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.4	175.5	-56.2	0	0	0	0	109.7	F368	F368-T396 WeakPolarHBondContact CE1-O 3.18Å
397	L	84.6	Confident	83.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	43%	0.429	C	S	.	.	S	Bend	trans	-75.8	122.1	178.5	-177.2	67.5	0	0	0	110.5	L348 I361 M366 F368 G399 G400 M402	L348-L397 HydrophobicContact CD2-CD1 3.5Å; L348-L397 HydrophobicContact CG-CD1 4.11Å; I361-L397 HydrophobicContact CG2-CD2 3.81Å; M366-L397 HydrophobicContact CE-CB 4.2Å; M366-L397 HydrophobicContact CE-CD2 3.79Å; M366-L397 HydrophobicContact CE-CG 4.18Å; M366-L397 PolarHBondContact O-N 3.42Å; F368-L397 HydrophobicContact CD1-CB 4.03Å; F368-L397 HydrophobicContact CD1-CD1 4.09Å; L397-G399 PolarHBondContact O-N 2.94Å; L397-G400 PolarHBondContact O-N 3.45Å; L397-M402 HydrophobicContact CD2-CE 4.39Å; L397-M402 HydrophobicContact CD2-SD 3.76Å
398	G	67.3	Low	83.6	Confident	34 Å²	34	65.1 Å²	65.1	35%	0.351	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	51.3	32.3	163.9	0	0	0	0	0	116.1	G400	G398-G400 PolarHBondContact O-N 3.18Å
399	G	71.9	Confident	83.7	Confident	77 Å²	77	72 Å²	72	79%	0.794	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	69.5	14.7	-176.5	0	0	0	0	0	115.4	L397	L397-G399 PolarHBondContact O-N 2.94Å
400	G	74.1	Confident	84	Confident	37 Å²	37	70.9 Å²	70.9	38%	0.381	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	101.4	7	178.1	0	0	0	0	0	114.9	L397 G398	L397-G400 PolarHBondContact O-N 3.45Å; G398-G400 PolarHBondContact O-N 3.18Å
401	V	78.6	Confident	84.5	Confident	105 Å²	105	70 Å²	70	64%	0.636	44%	0.437	S	S	*	.	S	Bend	trans	-121.8	144	176.1	-174.5	0	0	0	0	110.3	M366	M366-V401 VanDerWaalsContact CE-O 3.28Å; M366-V401 WeakPolarHBondContact CE-O 3.27Å
402	M	82.5	Confident	84.9	Confident	60 Å²	60	66.7 Å²	66.7	30%	0.296	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-68.1	129.8	177.1	-162.1	69.4	-168	0	0	108.8	L286 M366 L397	L286-M402 HydrophobicContact CD1-CE 4.14Å; L286-M402 HydrophobicContact CD2-CE 3.45Å; L286-M402 VanDerWaalsContact CD2-CE 3.45Å; L286-M402 HydrophobicContact CG-CE 3.88Å; M366-M402 HydrophobicContact CE-CB 4.42Å; M366-M402 VanDerWaalsContact CE-N 3.27Å; L397-M402 HydrophobicContact CD2-CE 4.39Å; L397-M402 HydrophobicContact CD2-SD 3.76Å
403	P	86.6	Confident	85.7	Confident	14 Å²	14	66.4 Å²	66.4	9%	0.091	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-65.3	154.7	-179.6	26	-33.6	0	0	0	111.6	E343 L344	E343-P403 HydrophobicContact CB-CB 4.37Å; L344-P403 HydrophobicContact CB-CG 4.17Å; L344-P403 HydrophobicContact CD1-CG 3.58Å; L344-P403 HydrophobicContact CG-CG 4.5Å
404	K	88.4	Confident	86.2	Confident	117 Å²	117	68.8 Å²	68.8	51%	0.509	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-70	145.3	174.8	-164.7	-176.2	172.8	-170.1	0	109.9	E343	E343-K404 WeakPolarHBondContact OE2-CB 3.42Å; E343-K404 PolarHBondContact OE2-N 2.82Å
405	I	93.3	Very high	86.3	Confident	10 Å²	10	70.2 Å²	70.2	5%	0.051	43%	0.434	C	S	.	.			trans	-113.9	131.1	178	-57.6	-59.7	0	0	0	109	I280 N282 E283 L286 L344	I280-I405 HydrophobicContact CG2-CD1 4.38Å; I280-I405 HydrophobicContact CG2-CG2 3.54Å; N282-I405 VanDerWaalsContact C-CG2 3.48Å; E283-I405 HydrophobicContact CG-CB 3.79Å; E283-I405 HydrophobicContact CG-CG1 4.34Å; L286-I405 HydrophobicContact CB-CG1 4.41Å; L286-I405 HydrophobicContact CD2-CD1 3.43Å; L286-I405 VanDerWaalsContact CD2-CD1 3.43Å; L286-I405 HydrophobicContact CD2-CG1 3.35Å; L344-I405 HydrophobicContact CB-CD1 4.02Å; L344-I405 HydrophobicContact CD2-CD1 4.03Å; L344-I405 HydrophobicContact CG-CD1 4.47Å
406	N	91.9	Very high	85.9	Confident	59 Å²	59	69.4 Å²	69.4	32%	0.316	43%	0.43	S	S	.	.			trans	-77.8	142.8	175	-64.8	-36.3	0	0	0	109.9	A340 Q341 V408	A340-N406 PolarHBondContact O-ND2 2.68Å; Q341-N406 PolarHBondContact NE2-O 2.75Å; N406-V408 HydrophobicContact CB-CG1 4.47Å; N406-V408 PolarHBondContact O-N 2.79Å
407	A	93	Very high	85.5	Confident	92 Å²	92	73.6 Å²	73.6	76%	0.76	44%	0.443	S	S	*	.			trans	-72.9	125.1	167.3	0	0	0	0	0	108.9	L281	L281-A407 VanDerWaalsContact O-CA 3.28Å; L281-A407 WeakPolarHBondContact O-CA 3.31Å
408	V	92.3	Very high	85	Confident	44 Å²	44	80 Å²	80	27%	0.267	48%	0.477	S	S	.	.			trans	-129.9	151.5	178.6	-63.3	0	0	0	0	110.7	I280 L281 A340 N406	I280-V408 WeakPolarHBondContact O-CG2 3.35Å; L281-V408 HydrophobicContact CD2-CG2 4.15Å; L281-V408 PolarHBondContact O-N 3.3Å; A340-V408 HydrophobicContact CB-CG1 4.24Å; N406-V408 HydrophobicContact CB-CG1 4.47Å; N406-V408 PolarHBondContact O-N 2.79Å
409	E	89.8	Confident	85.2	Confident	186 Å²	186	83.5 Å²	83.5	87%	0.869	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-71.6	140.4	174.2	-64.5	-170	162.6	0	0	110
410	A	92.6	Very high	85	Confident	63 Å²	63	86.3 Å²	86.3	52%	0.521	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-65.6	140.2	178.4	0	0	0	0	0	110.6	L281 D412	L281-A410 HydrophobicContact CD1-CB 3.92Å; L281-A410 HydrophobicContact CD2-CB 3.92Å; A410-D412 PolarHBondContact O-N 2.81Å
411	W	92.4	Very high	84.4	Confident	54 Å²	54	93.1 Å²	93.1	21%	0.205	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-61.1	129.8	176.7	178.2	46.4	0	0	0	111	E279 I304 A309 R312 L316 W335 G413 K414	E279-W411 PolarHBondContact OE2-N 3.39Å; I304-W411 HydrophobicContact CD1-CZ2 3.81Å; A309-W411 HydrophobicContact CB-CH2 4.19Å; A309-W411 HydrophobicContact CB-CZ2 3.72Å; R312-W411 HydrophobicContact CB-CH2 4.18Å; R312-W411 HydrophobicContact CG-CE3 4.29Å; R312-W411 HydrophobicContact CG-CH2 3.93Å; R312-W411 HydrophobicContact CG-CZ2 4.49Å; R312-W411 HydrophobicContact CG-CZ3 3.82Å; L316-W411 HydrophobicContact CD1-CZ3 4.05Å; W335-W411 HydrophobicContact CH2-CB 4.17Å; W335-W411 HydrophobicContact CH2-CE3 4.26Å; W335-W411 HydrophobicContact CZ2-CE3 4.4Å; W411-G413 VanDerWaalsContact CE2-CA 3.49Å; W411-G413 VanDerWaalsContact CZ2-C 3.42Å; W411-G413 PolarHBondContact O-N 3.2Å; W411-K414 PolarHBondContact NE1-O 2.94Å
412	D	88.7	Confident	83.3	Confident	104 Å²	104	95.4 Å²	95.4	56%	0.556	52%	0.521	S	S	*	.			trans	-78.3	0.6	-175.2	77.2	-21.2	0	0	0	114.1	A410 K414	A410-D412 PolarHBondContact O-N 2.81Å; D412-K414 VanDerWaalsContact C-N 3.32Å; D412-K414 WeakPolarHBondContact OD1-CB 3.49Å; D412-K414 PolarHBondContact OD1-N 2.79Å; D412-K414 WeakPolarHBondContact OD2-CD 3.41Å
413	G	89.7	Confident	81.9	Confident	40 Å²	40	101.5 Å²	101.5	41%	0.412	55%	0.548	S	S	.	.	S	Bend	trans	80.3	6.9	-178.7	0	0	0	0	0	114.6	W411	W411-G413 VanDerWaalsContact CE2-CA 3.49Å; W411-G413 VanDerWaalsContact CZ2-C 3.42Å; W411-G413 PolarHBondContact O-N 3.2Å
414	K	89.3	Confident	80.4	Confident	136 Å²	136	110.2 Å²	110.2	59%	0.591	58%	0.581	S	S	*	*	S	Bend	trans	-111.4	169.5	-177.2	-57.3	-179.8	-167.4	155.5	0	112.2	W411 D412	W411-K414 PolarHBondContact NE1-O 2.94Å; D412-K414 VanDerWaalsContact C-N 3.32Å; D412-K414 WeakPolarHBondContact OD1-CB 3.49Å; D412-K414 PolarHBondContact OD1-N 2.79Å; D412-K414 WeakPolarHBondContact OD2-CD 3.41Å
415	D	89.3	Confident	78.9	Confident	104 Å²	104	109.6 Å²	109.6	56%	0.556	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-63.7	144.6	171.6	-66.6	-46	0	0	0	110.5	G308 A309	G308-D415 VanDerWaalsContact CA-OD1 3.22Å; G308-D415 WeakPolarHBondContact CA-OD1 3.31Å; A309-D415 WeakPolarHBondContact CB-OD1 3.28Å; A309-D415 PolarHBondContact N-OD1 3.07Å
416	G	79.6	Confident	77.3	Confident	30 Å²	30	115.2 Å²	115.2	31%	0.309	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-65.4	141.7	173.2	0	0	0	0	0	110.8
417	Q	79.5	Confident	75.9	Confident	180 Å²	180	116.5 Å²	116.5	84%	0.841	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-99	132.5	168.6	-63.2	-176.1	6.2	0	0	107.9
418	L	74	Confident	74.2	Confident	134 Å²	134	118.8 Å²	118.8	70%	0.702	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-61.8	141.7	167.2	-73.5	168.2	0	0	0	108	L305 V420	L305-L418 HydrophobicContact CD1-CD2 3.75Å; L305-L418 HydrophobicContact CD2-CD2 4.22Å; L305-L418 HydrophobicContact CD2-CG 4.32Å; L418-V420 PolarHBondContact O-N 2.71Å
419	P	71.1	Confident	72.7	Confident	108 Å²	108	121.5 Å²	121.5	70%	0.701	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-49.4	134.1	167.2	-20.1	30.3	0	0	0	108	E421	P419-E421 PolarHBondContact O-N 3.29Å
420	V	69.1	Low	71.2	Confident	135 Å²	135	119.4 Å²	119.4	82%	0.818	63%	0.632	S	S	*	*			trans	-59.3	113.9	168.8	-178.1	0	0	0	0	105	L418 E422	L418-V420 PolarHBondContact O-N 2.71Å; V420-E422 PolarHBondContact O-N 3.05Å
421	E	60.4	Low	69.7	Low	180 Å²	180	123.4 Å²	123.4	84%	0.841	64%	0.644	S	S	*	*			trans	-58.5	108	169.6	-70.3	-176.7	172.1	0	0	105.5	P419 E423	P419-E421 PolarHBondContact O-N 3.29Å; E421-E423 PolarHBondContact O-N 3.05Å
422	E	57	Low	68.1	Low	154 Å²	154	127.6 Å²	127.6	72%	0.72	67%	0.67	S	S	*	*			trans	-58.1	111.9	161	-68.6	-175.6	175.3	0	0	104.2	V420 Y424	V420-E422 PolarHBondContact O-N 3.05Å; E422-Y424 WeakPolarHBondContact O-CD2 3.34Å; E422-Y424 PolarHBondContact O-N 3.21Å
423	E	52.1	Low	66.5	Low	188 Å²	188	131.2 Å²	131.2	88%	0.879	68%	0.684	S	S	*	*			trans	-53.6	100.8	168.3	-88.9	-178.1	155.9	0	0	105.5	E421 D425	E421-E423 PolarHBondContact O-N 3.05Å; E423-D425 VanDerWaalsContact C-N 3.28Å; E423-D425 PolarHBondContact O-N 3.25Å
424	Y	55.3	Low	64.8	Low	196 Å²	196	136.7 Å²	136.7	77%	0.769	70%	0.704	S	S	*	*			trans	-60.9	103	167.1	-67.6	-83.8	0	0	0	104.8	E422 L426	E422-Y424 WeakPolarHBondContact O-CD2 3.34Å; E422-Y424 PolarHBondContact O-N 3.21Å; Y424-L426 VanDerWaalsContact C-N 3.29Å; Y424-L426 PolarHBondContact O-N 3.45Å
425	D	57.3	Low	63.2	Low	104 Å²	104	139.5 Å²	139.5	56%	0.556	72%	0.717	S	S	*	*			trans	-65.2	96.1	174	-171.6	-5.8	0	0	0	107.4	E423 S427 D428	E423-D425 VanDerWaalsContact C-N 3.28Å; E423-D425 PolarHBondContact O-N 3.25Å; D425-S427 PolarHBondContact O-N 2.99Å; D425-S427 WeakPolarHBondContact OD1-CB 3.34Å; D425-S427 PolarHBondContact OD1-N 3.04Å; D425-S427 PolarHBondContact OD1-OG 2.95Å; D425-S427 PolarHBondContact OD2-OG 3.13Å; D425-S427 VanDerWaalsContact OD2-OG 3.07Å; D425-D428 PolarHBondContact O-N 3.02Å
426	L	59	Low	61.5	Low	129 Å²	129	141.7 Å²	141.7	68%	0.675	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-65.5	-2	178.5	-65.4	171.5	0	0	0	111.9	Y424 D428 I429	Y424-L426 VanDerWaalsContact C-N 3.29Å; Y424-L426 PolarHBondContact O-N 3.45Å; L426-D428 VanDerWaalsContact C-N 3.26Å; L426-I429 HydrophobicContact CD2-CD1 3.48Å; L426-I429 VanDerWaalsContact CD2-CD1 3.48Å; L426-I429 HydrophobicContact CD2-CG1 4.44Å; L426-I429 PolarHBondContact O-N 2.92Å
427	S	62.2	Low	60.2	Low	86 Å²	86	149.5 Å²	149.5	60%	0.601	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-73.7	-14	172.7	73.6	0	0	0	0	114.1	D425	D425-S427 PolarHBondContact O-N 2.99Å; D425-S427 WeakPolarHBondContact OD1-CB 3.34Å; D425-S427 PolarHBondContact OD1-N 3.04Å; D425-S427 PolarHBondContact OD1-OG 2.95Å; D425-S427 PolarHBondContact OD2-OG 3.13Å; D425-S427 VanDerWaalsContact OD2-OG 3.07Å
428	D	58.6	Low	58.7	Low	140 Å²	140	148.1 Å²	148.1	75%	0.749	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-90.8	-0.3	173.7	-77.4	-14.8	0	0	0	113.4	D425 L426 D430	D425-D428 PolarHBondContact O-N 3.02Å; L426-D428 VanDerWaalsContact C-N 3.26Å; D428-D430 PolarHBondContact O-N 3.09Å
429	I	59.2	Low	57.5	Low	100 Å²	100	150.1 Å²	150.1	51%	0.513	76%	0.758	S	S	.	*			trans	-84.8	89.4	169	-56.3	-177.3	0	0	0	107.4	L426 L431	L426-I429 HydrophobicContact CD2-CD1 3.48Å; L426-I429 VanDerWaalsContact CD2-CD1 3.48Å; L426-I429 HydrophobicContact CD2-CG1 4.44Å; L426-I429 PolarHBondContact O-N 2.92Å; I429-L431 VanDerWaalsContact C-N 3.25Å; I429-L431 HydrophobicContact CG2-CD2 4.36Å; I429-L431 HydrophobicContact CG2-CG 4.24Å; I429-L431 PolarHBondContact O-N 3.02Å
430	D	59.3	Low	56.2	Low	143 Å²	143	156.5 Å²	156.5	77%	0.765	79%	0.785	S	S	*	*			trans	-61.1	93.8	161.4	-95.5	-30.5	0	0	0	107.7	D428 D432	D428-D430 PolarHBondContact O-N 3.09Å; D430-D432 PolarHBondContact O-N 3.47Å
431	L	60.8	Low	55.5	Low	147 Å²	147	157.6 Å²	157.6	77%	0.77	78%	0.783	S	S	*	*			trans	-69.3	86.8	158	-71.3	170.1	0	0	0	105.7	I429 E433	I429-L431 VanDerWaalsContact C-N 3.25Å; I429-L431 HydrophobicContact CG2-CD2 4.36Å; I429-L431 HydrophobicContact CG2-CG 4.24Å; I429-L431 PolarHBondContact O-N 3.02Å; L431-E433 VanDerWaalsContact C-N 3.3Å; L431-E433 PolarHBondContact O-N 3.2Å
432	D	59.4	Low	55.3	Low	141 Å²	141	156.4 Å²	156.4	75%	0.754	78%	0.78	S	S	*	*			trans	-54.1	101.1	166.1	-78.5	-34.3	0	0	0	107.5	D430 D434	D430-D432 PolarHBondContact O-N 3.47Å; D432-D434 PolarHBondContact O-N 3.23Å
433	E	55.4	Low	55.2	Low	181 Å²	181	156.5 Å²	156.5	85%	0.846	78%	0.783	S	S	*	*			trans	-66.9	74.2	171.1	-74.4	-174.8	153.6	0	0	109	L431 F435	L431-E433 VanDerWaalsContact C-N 3.3Å; L431-E433 PolarHBondContact O-N 3.2Å; E433-F435 PolarHBondContact O-N 3.14Å
434	D	53.3	Low	55.4	Low	155 Å²	155	154.6 Å²	154.6	83%	0.829	78%	0.778	S	S	*	*			trans	-95.3	43.2	165.5	-95.6	-10.6	0	0	0	110.8	D432	D432-D434 PolarHBondContact O-N 3.23Å
435	F	54.8	Low	55.4	Low	195 Å²	195	152.1 Å²	152.1	86%	0.855	78%	0.778	S	S	*	*			trans	-113.3	79.6	162.4	-86	-84.1	0	0	0	109	E433	E433-F435 PolarHBondContact O-N 3.14Å
436	D	54	Low	55.2	Low	149 Å²	149	155.3 Å²	155.3	80%	0.797	79%	0.793	S	S	*	*			trans	155.1	101	134.6	-82.5	-25.6	0	0	0	110.3
437	K	53.1	Low	55	Low	194 Å²	194	157.1 Å²	157.1	84%	0.843	80%	0.801	S	S	*	*			trans	-179.9	111	131.4	-99.6	161.6	-171.2	175.8	0	111.3
438	D	47.1	Very low	54.4	Low	151 Å²	151	162.6 Å²	162.6	81%	0.807	82%	0.817	S	S	*	*			trans	162.5	86	130.8	-78.4	-11.8	0	0	0	106
439	E	49.7	Very low	54.1	Low	177 Å²	177	164.5 Å²	164.5	83%	0.827	82%	0.822	S	S	*	*				48	112.2	97.9	-75.4	-157.6	166.6	0	0	115.1
440	L	42.7	Very low	53.6	Low	241 Å²	241	170.4 Å²	170.4	100%	1.262	85%	0.85	S	S	*	*			trans	85.1	0	150.1	-68.5	160.6	0	0	0	120.3

Retrieved 440 of 440 residues in 859 ms (Link to these results)

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