A0A077Z6B2_TRITR Loading...

Sugar phosphate exchanger 3

AlphaFold DB , UniProt , Accession A0A077Z6B2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 702 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	37.8	Very low	61 Å²	61	86.4 Å²	86.4	30%	0.3	45%	0.454	S	S	.	.				0	-54.9	0	-81.1	164.6	71.3	0	0	114.1	S3 L4 L5 H248 S272	M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 2.64Å; M1-L4 WeakPolarHBondContact O-CB 3.36Å; M1-L4 PolarHBondContact O-N 3.49Å; M1-L5 PolarHBondContact O-N 3.35Å; M1-H248 HydrophobicContact CE-CB 3.25Å; M1-S272 PolarHBondContact SD-OG 2.69Å
2	V	37.6	Very low	37.4	Very low	56 Å²	56	92.8 Å²	92.8	34%	0.339	48%	0.476	S	S	.	.	H	α-helix	trans	-55.6	-38.8	-177.5	-178.2	0	0	0	0	113.2	L4 L5 S6 V202	V2-L4 VanDerWaalsContact C-N 3.29Å; V2-L4 PolarHBondContact O-N 3.24Å; V2-L5 PolarHBondContact O-N 3.27Å; V2-S6 WeakPolarHBondContact O-CB 3.42Å; V2-S6 PolarHBondContact O-N 2.68Å; V2-V202 HydrophobicContact CG2-CG2 3.93Å
3	S	37.5	Very low	37.6	Very low	84 Å²	84	87.9 Å²	87.9	59%	0.587	45%	0.453	S	S	*	.	H	α-helix	trans	-67.2	-23.4	175.6	56.4	0	0	0	0	115	M1 S6	M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 2.64Å; S3-S6 PolarHBondContact O-OG 3.26Å
4	L	40.2	Very low	37.5	Very low	101 Å²	101	85 Å²	85	53%	0.529	45%	0.449	S	S	.	.	H	α-helix	trans	-80.9	-36.8	175.8	-75.9	158.5	0	0	0	110.3	M1 V2 W8	M1-L4 WeakPolarHBondContact O-CB 3.36Å; M1-L4 PolarHBondContact O-N 3.49Å; V2-L4 VanDerWaalsContact C-N 3.29Å; V2-L4 PolarHBondContact O-N 3.24Å; L4-W8 VanDerWaalsContact O-CD1 3.29Å
5	L	42.9	Very low	37.4	Very low	30 Å²	30	88.1 Å²	88.1	16%	0.157	46%	0.464	C	S	.	.	H	α-helix	trans	-79.1	-32.3	179.3	-70.1	168.2	0	0	0	113.1	M1 V2 R7 W8 S9 I200 A224	M1-L5 PolarHBondContact O-N 3.35Å; V2-L5 PolarHBondContact O-N 3.27Å; L5-R7 PolarHBondContact O-N 2.75Å; L5-R7 VanDerWaalsContact O-N 3.12Å; L5-W8 PolarHBondContact O-N 3.04Å; L5-S9 PolarHBondContact O-N 3.17Å; L5-I200 HydrophobicContact CB-CD1 3.82Å; L5-I200 HydrophobicContact CD1-CD1 4.1Å; L5-I200 HydrophobicContact CG-CD1 4.5Å; L5-A224 HydrophobicContact CD1-CB 3.64Å
6	S	38.6	Very low	37.3	Very low	53 Å²	53	90.4 Å²	90.4	37%	0.371	48%	0.477	S	S	.	.	H	α-helix	trans	-62.9	-18	173.4	72	0	0	0	0	113.2	V2 S3 S9 A10	V2-S6 WeakPolarHBondContact O-CB 3.42Å; V2-S6 PolarHBondContact O-N 2.68Å; S3-S6 PolarHBondContact O-OG 3.26Å; S6-S9 PolarHBondContact O-OG 3.18Å; S6-A10 PolarHBondContact O-N 3.08Å
7	R	35.2	Very low	37.7	Very low	190 Å²	190	88.7 Å²	88.7	72%	0.717	47%	0.474	S	S	*	.	H	α-helix	trans	-76.7	-28.9	172.6	-72.2	-175.2	176.7	-158.7	-1.4	112.8	L5 T11	L5-R7 PolarHBondContact O-N 2.75Å; L5-R7 VanDerWaalsContact O-N 3.12Å; R7-T11 PolarHBondContact O-OG1 2.83Å
8	W	35.7	Very low	37.8	Very low	194 Å²	194	91.4 Å²	91.4	74%	0.735	49%	0.487	S	S	*	.	H	α-helix	trans	-73.8	-33.1	176.5	-71.3	84	0	0	0	111.5	L4 L5 T11 F12	L4-W8 VanDerWaalsContact O-CD1 3.29Å; L5-W8 PolarHBondContact O-N 3.04Å; W8-T11 PolarHBondContact O-N 3.39Å; W8-T11 PolarHBondContact O-OG1 2.97Å; W8-F12 PolarHBondContact O-N 3.08Å
9	S	39.3	Very low	37.7	Very low	36 Å²	36	90 Å²	90	25%	0.252	49%	0.49	S	S	.	.	H	α-helix	trans	-65.8	-38.2	172.5	62.4	0	0	0	0	112	L5 S6 T11 F12 V13 E151	L5-S9 PolarHBondContact O-N 3.17Å; S6-S9 PolarHBondContact O-OG 3.18Å; S9-T11 VanDerWaalsContact C-N 3.32Å; S9-T11 PolarHBondContact O-N 3.12Å; S9-F12 PolarHBondContact O-N 2.7Å; S9-V13 WeakPolarHBondContact O-CG2 3.49Å; S9-V13 PolarHBondContact O-N 2.97Å; S9-V13 VanDerWaalsContact O-N 3.11Å; S9-E151 VanDerWaalsContact CB-OE1 3.23Å; S9-E151 WeakPolarHBondContact CB-OE1 3.36Å; S9-E151 PolarHBondContact OG-OE1 3.2Å
10	A	33.5	Very low	37.5	Very low	56 Å²	56	91.7 Å²	91.7	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-59.3	-38	176.1	0	0	0	0	0	113.6	S6 A14	S6-A10 PolarHBondContact O-N 3.08Å; A10-A14 WeakPolarHBondContact O-CB 3.47Å; A10-A14 PolarHBondContact O-N 3.24Å
11	T	36.8	Very low	37.6	Very low	89 Å²	89	92.8 Å²	92.8	55%	0.546	50%	0.504	S	S	.	.	H	α-helix	trans	-71.1	-31.2	177.2	29	0	0	0	0	113.9	R7 W8 S9	R7-T11 PolarHBondContact O-OG1 2.83Å; W8-T11 PolarHBondContact O-N 3.39Å; W8-T11 PolarHBondContact O-OG1 2.97Å; S9-T11 VanDerWaalsContact C-N 3.32Å; S9-T11 PolarHBondContact O-N 3.12Å
12	F	33.7	Very low	37.4	Very low	164 Å²	164	95.3 Å²	95.3	72%	0.719	53%	0.527	S	S	*	.	H	α-helix	trans	-77.8	-33.5	178.9	-139.4	-94.1	0	0	0	111.6	W8 S9	W8-F12 PolarHBondContact O-N 3.08Å; S9-F12 PolarHBondContact O-N 2.7Å
13	V	39.4	Very low	37.4	Very low	29 Å²	29	92.9 Å²	92.9	18%	0.176	51%	0.514	C	S	.	.	H	α-helix	trans	-73.5	-32.6	176.8	178.6	0	0	0	0	111.9	S9 L15 L16 S17 E103	S9-V13 WeakPolarHBondContact O-CG2 3.49Å; S9-V13 PolarHBondContact O-N 2.97Å; S9-V13 VanDerWaalsContact O-N 3.11Å; V13-L15 PolarHBondContact O-N 2.9Å; V13-L16 PolarHBondContact O-N 3.44Å; V13-S17 PolarHBondContact O-N 2.91Å; V13-E103 HydrophobicContact CG1-CG 4.07Å
14	A	37.1	Very low	37.7	Very low	47 Å²	47	93.2 Å²	93.2	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-61.5	-25.6	176.9	0	0	0	0	0	114.1	A10 S17	A10-A14 WeakPolarHBondContact O-CB 3.47Å; A10-A14 PolarHBondContact O-N 3.24Å; A14-S17 PolarHBondContact O-OG 2.79Å; A14-S17 VanDerWaalsContact O-OG 3.12Å
15	L	34.7	Very low	38.6	Very low	131 Å²	131	88.7 Å²	88.7	69%	0.686	49%	0.494	S	S	*	.	H	α-helix	trans	-78.1	-27.2	179.1	-80.1	160.7	0	0	0	113	V13	V13-L15 PolarHBondContact O-N 2.9Å
16	L	36.4	Very low	40	Very low	126 Å²	126	97 Å²	97	66%	0.66	52%	0.523	S	S	*	.	H	α-helix	trans	-82.5	-20.1	176.6	-81.1	161.6	0	0	0	113	V13	V13-L16 PolarHBondContact O-N 3.44Å
17	S	45	Very low	42.1	Very low	61 Å²	61	96.2 Å²	96.2	43%	0.427	52%	0.517	S	S	.	.	S	Bend	trans	-84.8	-13.3	-179.4	60.8	0	0	0	0	114.6	V13 A14	V13-S17 PolarHBondContact O-N 2.91Å; A14-S17 PolarHBondContact O-OG 2.79Å; A14-S17 VanDerWaalsContact O-OG 3.12Å
18	L	39.6	Very low	44.4	Very low	138 Å²	138	88.3 Å²	88.3	72%	0.723	49%	0.49	S	S	*	.	S	Bend	trans	-85.2	-16.1	-177.5	-77	164.4	0	0	0	114.5
19	A	35.2	Very low	46.6	Very low	64 Å²	64	84.4 Å²	84.4	53%	0.529	48%	0.484	S	S	.	.	S	Bend	trans	-95.5	109.8	-179.1	0	0	0	0	0	111.3
20	C	34.2	Very low	48.3	Very low	123 Å²	123	86.2 Å²	86.2	83%	0.831	49%	0.485	S	S	*	.	S	Bend	trans	74.8	53.8	159.7	-61.1	0	0	0	0	119.5
21	W	39.8	Very low	50.4	Low	116 Å²	116	88 Å²	88	44%	0.439	49%	0.487	S	S	.	.			trans	-133.2	85.6	168.9	-69.6	66.7	0	0	0	112.2	G23 H47 E72	W21-G23 PolarHBondContact O-N 3.4Å; W21-H47 PolarHBondContact O-CD2 3.41Å; W21-E72 VanDerWaalsContact CH2-O 3.27Å; W21-E72 WeakPolarHBondContact CH2-O 3.15Å; W21-E72 WeakPolarHBondContact CZ3-O 3.46Å
22	S	32.2	Very low	52.5	Low	113 Å²	113	86 Å²	86	79%	0.79	48%	0.477	S	S	*	.			trans	-88.4	70.1	170.5	62.2	0	0	0	0	110.5
23	G	38.2	Very low	55	Low	6 Å²	6	78.4 Å²	78.4	6%	0.062	44%	0.443	C	S	.	.			trans	-122.2	131.4	179.8	0	0	0	0	0	110.8	W21 G25 H47	W21-G23 PolarHBondContact O-N 3.4Å; G23-G25 VanDerWaalsContact C-N 3.25Å; G23-G25 PolarHBondContact O-N 3.08Å; G23-H47 VanDerWaalsContact O-CB 3.31Å; G23-H47 WeakPolarHBondContact O-CB 3.5Å; G23-H47 PolarHBondContact O-CD2 3.3Å; G23-H47 PolarHBondContact O-CE1 3.32Å; G23-H47 VanDerWaalsContact O-CE1 3.26Å; G23-H47 PolarHBondContact O-ND1 2.81Å
24	S	45.1	Very low	57.1	Low	91 Å²	91	77.5 Å²	77.5	64%	0.636	44%	0.437	S	S	*	.			trans	-64.8	75.3	179.8	63.2	0	0	0	0	113.1	R26	S24-R26 PolarHBondContact O-N 3.24Å
25	G	57.8	Low	59.2	Low	6 Å²	6	75.3 Å²	75.3	6%	0.062	42%	0.419	C	S	.	.			trans	-77.2	66.2	176.4	0	0	0	0	0	112	G23	G23-G25 VanDerWaalsContact C-N 3.25Å; G23-G25 PolarHBondContact O-N 3.08Å
26	R	72.6	Confident	61.9	Low	204 Å²	204	69.1 Å²	69.1	77%	0.77	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-95	141.4	167.7	-67.4	-175.4	-178.7	-178	1.7	109.1	S24	S24-R26 PolarHBondContact O-N 3.24Å
27	C	83.7	Confident	64.3	Low	36 Å²	36	64.6 Å²	64.6	24%	0.243	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-52.4	134.5	166.8	-74.2	0	0	0	0	109.8	C38 S39	C27-C38 WeakPolarHBondContact CA-SG 3.38Å; C27-C38 HydrophobicContact CB-CB 3.72Å; C27-C38 WeakPolarHBondContact CB-SG 3.37Å; C27-C38 WeakPolarHBondContact SG-CB 3.26Å; C27-C38 PolarHBondContact SG-O 3.42Å; C27-C38 CovalentContact SG-SG 2.04Å; C27-C38 PolarHBondContact SG-SG 3.36Å; C27-S39 PolarHBondContact SG-N 3.36Å
28	P	82.8	Confident	66.3	Low	25 Å²	25	63.1 Å²	63.1	16%	0.162	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-56.1	172.9	170.4	-23.3	33	0	0	0	112.2	R30 I33 Q68 F69	P28-R30 PolarHBondContact O-N 3.28Å; P28-I33 HydrophobicContact CG-CD1 4.23Å; P28-Q68 VanDerWaalsContact CB-OE1 3.23Å; P28-Q68 HydrophobicContact CG-CB 4.1Å; P28-F69 VanDerWaalsContact CD-CZ 3.46Å; P28-F69 HydrophobicContact CG-CE1 4.11Å; P28-F69 HydrophobicContact CG-CE2 4.26Å; P28-F69 HydrophobicContact CG-CZ 3.76Å
29	N	81.1	Confident	68.5	Low	111 Å²	111	59.6 Å²	59.6	59%	0.594	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-53.6	136.5	171.7	-175	-36.2	0	0	0	109.5	N31 S32 I33	N29-N31 PolarHBondContact O-N 2.77Å; N29-N31 VanDerWaalsContact O-N 3.16Å; N29-N31 PolarHBondContact OD1-N 3.36Å; N29-S32 PolarHBondContact O-N 3.33Å; N29-S32 PolarHBondContact O-OG 3.18Å; N29-I33 PolarHBondContact O-N 2.65Å
30	R	75.5	Confident	70.7	Confident	75 Å²	75	59.9 Å²	59.9	28%	0.283	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-36.5	-179	-169	174.6	-142.3	165.2	2.7	113.9	P28 S32 I33 K34 T597 N598 S623	P28-R30 PolarHBondContact O-N 3.28Å; R30-S32 VanDerWaalsContact C-N 3.3Å; R30-S32 PolarHBondContact O-N 3.31Å; R30-I33 VanDerWaalsContact O-CG2 3.25Å; R30-I33 WeakPolarHBondContact O-CG2 3.36Å; R30-I33 PolarHBondContact O-N 3.34Å; R30-K34 WeakPolarHBondContact O-CG 3Å; R30-T597 PolarHBondContact NH1-O 2.95Å; R30-N598 PolarHBondContact NH2-O 2.93Å; R30-S623 VanDerWaalsContact CZ-CB 3.45Å
31	N	77.3	Confident	72.2	Confident	92 Å²	92	56.3 Å²	56.3	49%	0.492	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-29.8	179.4	-70.3	-11.3	0	0	0	111.9	N29	N29-N31 PolarHBondContact O-N 2.77Å; N29-N31 VanDerWaalsContact O-N 3.16Å; N29-N31 PolarHBondContact OD1-N 3.36Å
32	S	81.5	Confident	73.3	Confident	48 Å²	48	56.5 Å²	56.5	34%	0.336	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-15.7	179.1	69.8	0	0	0	0	113.2	N29 R30 Q68	N29-S32 PolarHBondContact O-N 3.33Å; N29-S32 PolarHBondContact O-OG 3.18Å; R30-S32 VanDerWaalsContact C-N 3.3Å; R30-S32 PolarHBondContact O-N 3.31Å; S32-Q68 VanDerWaalsContact CB-OE1 3.25Å; S32-Q68 PolarHBondContact O-NE2 3.41Å; S32-Q68 PolarHBondContact OG-OE1 3.16Å
33	I	85.5	Confident	74.7	Confident	4 Å²	4	60 Å²	60	2%	0.021	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.4	179.6	-164.4	118.6	0	0	0	114	P28 N29 R30 C36 C38 V65 F69	P28-I33 HydrophobicContact CG-CD1 4.23Å; N29-I33 PolarHBondContact O-N 2.65Å; R30-I33 VanDerWaalsContact O-CG2 3.25Å; R30-I33 WeakPolarHBondContact O-CG2 3.36Å; R30-I33 PolarHBondContact O-N 3.34Å; I33-C36 CarbonylContact C-O 3.45Å; I33-C36 HydrophobicContact CG1-CB 4.17Å; I33-C36 CarbonylContact O-C 3.56Å; I33-C36 VanDerWaalsContact O-CA 3.24Å; I33-C36 WeakPolarHBondContact O-CA 3.11Å; I33-C36 VanDerWaalsContact O-CB 3.23Å; I33-C36 WeakPolarHBondContact O-CB 3.34Å; I33-C36 PolarHBondContact O-N 3.44Å; I33-C38 HydrophobicContact CD1-CB 3.56Å; I33-C38 HydrophobicContact CG1-CB 4.13Å; I33-V65 HydrophobicContact CD1-CG1 3.9Å; I33-V65 HydrophobicContact CG1-CG1 3.68Å; I33-V65 VanDerWaalsContact O-CG2 3.22Å; I33-V65 WeakPolarHBondContact O-CG2 3.23Å; I33-F69 HydrophobicContact CD1-CE2 3.29Å; I33-F69 HydrophobicContact CD1-CZ 3.24Å
34	K	84	Confident	75.9	Confident	10 Å²	10	61.1 Å²	61.1	4%	0.043	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	144.1	177.9	-62.3	-167.2	-178.2	-167.5	0	111.7	R30 C36 V65 S622 L624 V625 H650 V651	R30-K34 WeakPolarHBondContact O-CG 3Å; K34-C36 VanDerWaalsContact C-N 3.31Å; K34-V65 VanDerWaalsContact O-CG2 3.23Å; K34-V65 WeakPolarHBondContact O-CG2 3.04Å; K34-S622 VanDerWaalsContact CE-O 3.24Å; K34-S622 WeakPolarHBondContact CE-O 3.39Å; K34-S622 PolarHBondContact NZ-O 3.44Å; K34-L624 VanDerWaalsContact CE-O 3.31Å; K34-L624 WeakPolarHBondContact CE-O 2.87Å; K34-L624 PolarHBondContact NZ-O 2.86Å; K34-V625 HydrophobicContact CG-CG2 4.32Å; K34-H650 WeakPolarHBondContact CD-O 3.32Å; K34-H650 WeakPolarHBondContact CE-O 3.45Å; K34-H650 PolarHBondContact NZ-O 3.32Å; K34-V651 HydrophobicContact CB-CB 3.7Å; K34-V651 HydrophobicContact CB-CG1 3.95Å; K34-V651 HydrophobicContact CD-CB 4.23Å
35	P	82	Confident	76.6	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	cis	-88.5	25.3	7.8	38	-39.4	0	0	0	113.7	A56 H61 V625	P35-A56 HydrophobicContact CG-CB 3.88Å; P35-H61 HydrophobicContact CG-CB 4.13Å; P35-V625 VanDerWaalsContact C-CG1 3.41Å; P35-V625 HydrophobicContact CB-CG1 4.49Å; P35-V625 WeakPolarHBondContact O-CG1 3.38Å
36	C	89.9	Confident	76.6	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.007	36%	0.355	C	S	.	.	S	Bend	trans	-102.5	168.5	176.1	-47.7	0	0	0	0	111	I33 K34 V51 T52 C53 V65	I33-C36 CarbonylContact C-O 3.45Å; I33-C36 HydrophobicContact CG1-CB 4.17Å; I33-C36 CarbonylContact O-C 3.56Å; I33-C36 VanDerWaalsContact O-CA 3.24Å; I33-C36 WeakPolarHBondContact O-CA 3.11Å; I33-C36 VanDerWaalsContact O-CB 3.23Å; I33-C36 WeakPolarHBondContact O-CB 3.34Å; I33-C36 PolarHBondContact O-N 3.44Å; K34-C36 VanDerWaalsContact C-N 3.31Å; C36-V51 HydrophobicContact CB-CG1 4.14Å; C36-T52 CarbonylContact C-O 3.37Å; C36-T52 VanDerWaalsContact CA-O 3.25Å; C36-T52 WeakPolarHBondContact CA-O 3.24Å; C36-T52 WeakPolarHBondContact CB-O 3.37Å; C36-C53 HydrophobicContact CB-CB 3.99Å; C36-C53 WeakPolarHBondContact CB-SG 3.47Å; C36-C53 WeakPolarHBondContact SG-CB 3.36Å; C36-C53 CovalentContact SG-SG 2.03Å; C36-C53 PolarHBondContact SG-SG 2.91Å; C36-V65 HydrophobicContact CB-CG1 4.11Å
37	T	87.3	Confident	76.4	Confident	32 Å²	32	56.2 Å²	56.2	20%	0.196	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	151	170	56	0	0	0	0	108.8	V51 T52 Y600 V625	T37-V51 WeakPolarHBondContact O-CA 3.43Å; T37-T52 PolarHBondContact N-O 2.91Å; T37-T52 PolarHBondContact O-N 2.95Å; T37-T52 PolarHBondContact OG1-O 2.97Å; T37-Y600 HydrophobicContact CG2-CD1 4.29Å; T37-Y600 HydrophobicContact CG2-CD2 3.82Å; T37-Y600 HydrophobicContact CG2-CG 3.72Å; T37-V625 HydrophobicContact CG2-CB 4.44Å; T37-V625 HydrophobicContact CG2-CG2 3.97Å
38	C	88.3	Confident	76.2	Confident	30 Å²	30	55.4 Å²	55.4	20%	0.203	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132	174.6	179.7	0	0	0	0	109.4	C27 I33 N50	C27-C38 WeakPolarHBondContact CA-SG 3.38Å; C27-C38 HydrophobicContact CB-CB 3.72Å; C27-C38 WeakPolarHBondContact CB-SG 3.37Å; C27-C38 WeakPolarHBondContact SG-CB 3.26Å; C27-C38 PolarHBondContact SG-O 3.42Å; C27-C38 CovalentContact SG-SG 2.04Å; C27-C38 PolarHBondContact SG-SG 3.36Å; I33-C38 HydrophobicContact CD1-CB 3.56Å; I33-C38 HydrophobicContact CG1-CB 4.13Å; C38-N50 CarbonylContact C-O 3.5Å; C38-N50 VanDerWaalsContact CA-O 3.27Å; C38-N50 WeakPolarHBondContact CA-O 3.5Å
39	S	84.9	Confident	76.5	Confident	64 Å²	64	54.4 Å²	54.4	45%	0.448	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.6	174	58.4	0	0	0	0	110.6	C27 V49 N50	C27-S39 PolarHBondContact SG-N 3.36Å; S39-V49 WeakPolarHBondContact O-CA 3.4Å; S39-N50 PolarHBondContact N-O 2.91Å; S39-N50 PolarHBondContact O-N 3.25Å
40	V	81.1	Confident	77	Confident	70 Å²	70	50.5 Å²	50.5	42%	0.424	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.5	171.1	-176.7	0	0	0	0	106.6	P42 V49	V40-P42 VanDerWaalsContact O-CD 3.32Å; V40-P42 WeakPolarHBondContact O-CD 3.36Å; V40-V49 HydrophobicContact CG2-CG1 4.35Å
41	D	66.5	Low	77.8	Confident	47 Å²	47	46.9 Å²	46.9	25%	0.251	29%	0.286	S	S	.	.			trans	-69.2	117.6	172.8	-177.7	-7.2	0	0	0	108.7	E43 A44	D41-E43 PolarHBondContact O-N 2.74Å; D41-E43 PolarHBondContact OD1-N 2.75Å; D41-A44 HydrophobicContact CB-CB 3.68Å; D41-A44 PolarHBondContact O-N 3.43Å
42	P	62.1	Low	78.4	Confident	120 Å²	120	44 Å²	44	78%	0.779	27%	0.272	S	S	*	.	S	Bend	trans	-67.8	-18.5	-178.9	27.2	-34	0	0	0	114	V40	V40-P42 VanDerWaalsContact O-CD 3.32Å; V40-P42 WeakPolarHBondContact O-CD 3.36Å
43	E	62.7	Low	78.8	Confident	186 Å²	186	41.7 Å²	41.7	87%	0.869	26%	0.256	S	S	*	.	S	Bend	trans	-98.2	-16.9	179.3	-64.7	-173.4	178.6	0	0	113	D41	D41-E43 PolarHBondContact O-N 2.74Å; D41-E43 PolarHBondContact OD1-N 2.75Å
44	A	62	Low	78.7	Confident	30 Å²	30	44.3 Å²	44.3	25%	0.248	27%	0.269	C	S	.	.	S	Bend	trans	-79.5	165.1	176.3	0	0	0	0	0	112.4	D41 A46 V48	D41-A44 HydrophobicContact CB-CB 3.68Å; D41-A44 PolarHBondContact O-N 3.43Å; A44-A46 PolarHBondContact O-N 3.35Å; A44-V48 HydrophobicContact CB-CB 4Å; A44-V48 HydrophobicContact CB-CG1 4.4Å; A44-V48 HydrophobicContact CB-CG2 4.29Å
45	A	59.9	Low	78.2	Confident	59 Å²	59	45.7 Å²	45.7	49%	0.488	28%	0.276	S	S	.	.			trans	-51	143.8	167.7	0	0	0	0	0	109.8	H47 V48	A45-H47 PolarHBondContact O-N 2.75Å; A45-V48 PolarHBondContact O-N 3.35Å
46	A	58	Low	77.9	Confident	72 Å²	72	45.6 Å²	45.6	60%	0.595	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	11.5	-168.6	0	0	0	0	0	116.6	A44	A44-A46 PolarHBondContact O-N 3.35Å
47	H	67.8	Low	77	Confident	67 Å²	67	47.7 Å²	47.7	31%	0.31	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	6.3	-169.1	-55.2	-35.7	0	0	0	113.6	W21 G23 A45	W21-H47 PolarHBondContact O-CD2 3.41Å; G23-H47 VanDerWaalsContact O-CB 3.31Å; G23-H47 WeakPolarHBondContact O-CB 3.5Å; G23-H47 PolarHBondContact O-CD2 3.3Å; G23-H47 PolarHBondContact O-CE1 3.32Å; G23-H47 VanDerWaalsContact O-CE1 3.26Å; G23-H47 PolarHBondContact O-ND1 2.81Å; A45-H47 PolarHBondContact O-N 2.75Å
48	V	81.2	Confident	76.5	Confident	19 Å²	19	47.9 Å²	47.9	12%	0.115	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.6	-178.7	-179.4	0	0	0	0	110.6	A44 A45 F75 Q77	A44-V48 HydrophobicContact CB-CB 4Å; A44-V48 HydrophobicContact CB-CG1 4.4Å; A44-V48 HydrophobicContact CB-CG2 4.29Å; A45-V48 PolarHBondContact O-N 3.35Å; V48-F75 HydrophobicContact CG1-CD1 4.08Å; V48-F75 HydrophobicContact CG1-CE1 4.33Å; V48-F75 HydrophobicContact CG2-CD1 4.04Å; V48-Q77 HydrophobicContact CG1-CB 3.25Å; V48-Q77 HydrophobicContact CG1-CG 4.15Å
49	V	88.3	Confident	76.3	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151	179.3	-62.2	0	0	0	0	112.5	S39 V40 V51 F69 F75 I76 Q77	S39-V49 WeakPolarHBondContact O-CA 3.4Å; V40-V49 HydrophobicContact CG2-CG1 4.35Å; V49-V51 HydrophobicContact CG2-CG2 4.44Å; V49-F69 HydrophobicContact CG2-CD1 4.23Å; V49-F69 HydrophobicContact CG2-CE1 3.85Å; V49-F75 PolarHBondContact N-O 3.13Å; V49-I76 HydrophobicContact CG2-CG1 4.23Å; V49-I76 CarbonylContact O-C 3.49Å; V49-I76 WeakPolarHBondContact O-CA 3.4Å; V49-Q77 PolarHBondContact O-N 3.2Å
50	N	90.6	Very high	76.1	Confident	29 Å²	29	46.4 Å²	46.4	16%	0.155	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.1	170.3	-67.2	-35.6	0	0	0	109.4	C38 S39 Q77 L78	C38-N50 CarbonylContact C-O 3.5Å; C38-N50 VanDerWaalsContact CA-O 3.27Å; C38-N50 WeakPolarHBondContact CA-O 3.5Å; S39-N50 PolarHBondContact N-O 2.91Å; S39-N50 PolarHBondContact O-N 3.25Å; N50-Q77 PolarHBondContact ND2-OE1 3.2Å; N50-Q77 WeakPolarHBondContact OD1-CB 3.38Å; N50-Q77 PolarHBondContact OD1-OE1 3.12Å; N50-L78 CarbonylContact C-O 3.15Å; N50-L78 WeakPolarHBondContact CA-O 3.42Å; N50-L78 HydrophobicContact CB-CB 4.26Å; N50-L78 VanDerWaalsContact OD1-CB 3.27Å; N50-L78 WeakPolarHBondContact OD1-CB 3.48Å; N50-L78 PolarHBondContact OD1-N 3.19Å
51	V	92.5	Very high	76.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.8	-179.2	-178.2	0	0	0	0	109.2	C36 T37 V49 F69 I76 L78 L79 H80	C36-V51 HydrophobicContact CB-CG1 4.14Å; T37-V51 WeakPolarHBondContact O-CA 3.43Å; V49-V51 HydrophobicContact CG2-CG2 4.44Å; V51-F69 HydrophobicContact CG2-CD2 4.49Å; V51-F69 HydrophobicContact CG2-CE1 4.14Å; V51-F69 HydrophobicContact CG2-CE2 3.86Å; V51-F69 HydrophobicContact CG2-CZ 3.65Å; V51-I76 HydrophobicContact CB-CG2 4.48Å; V51-I76 HydrophobicContact CG2-CG2 4.26Å; V51-L78 PolarHBondContact N-O 2.93Å; V51-L79 HydrophobicContact CB-CD1 3.96Å; V51-L79 HydrophobicContact CG1-CD1 3.9Å; V51-L79 WeakPolarHBondContact O-CA 3.46Å; V51-H80 PolarHBondContact O-N 3.46Å
52	T	91.2	Very high	77.1	Confident	31 Å²	31	43.5 Å²	43.5	19%	0.19	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.5	-179.2	-63.1	0	0	0	0	110.8	C36 T37 I54 H80	C36-T52 CarbonylContact C-O 3.37Å; C36-T52 VanDerWaalsContact CA-O 3.25Å; C36-T52 WeakPolarHBondContact CA-O 3.24Å; C36-T52 WeakPolarHBondContact CB-O 3.37Å; T37-T52 PolarHBondContact N-O 2.91Å; T37-T52 PolarHBondContact O-N 2.95Å; T37-T52 PolarHBondContact OG1-O 2.97Å; T52-I54 HydrophobicContact CG2-CD1 3.6Å; T52-I54 HydrophobicContact CG2-CG1 3.63Å; T52-H80 CarbonylContact C-O 3.6Å; T52-H80 WeakPolarHBondContact CA-O 3.33Å; T52-H80 HydrophobicContact CG2-CB 4.37Å
53	C	89.8	Confident	78.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	87.3	179.6	-52.6	0	0	0	0	108.9	C36 H80 I81 E82	C36-C53 HydrophobicContact CB-CB 3.99Å; C36-C53 WeakPolarHBondContact CB-SG 3.47Å; C36-C53 WeakPolarHBondContact SG-CB 3.36Å; C36-C53 CovalentContact SG-SG 2.03Å; C36-C53 PolarHBondContact SG-SG 2.91Å; C53-H80 PolarHBondContact N-O 3.22Å; C53-I81 HydrophobicContact CB-CG1 4.34Å; C53-I81 WeakPolarHBondContact O-CA 3.43Å; C53-E82 PolarHBondContact O-N 3.32Å
54	I	81.8	Confident	79.5	Confident	58 Å²	58	34.4 Å²	34.4	30%	0.297	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.3	176.5	-63.3	162.2	0	0	0	108.4	T52 A56 E82	T52-I54 HydrophobicContact CG2-CD1 3.6Å; T52-I54 HydrophobicContact CG2-CG1 3.63Å; I54-A56 VanDerWaalsContact C-N 3.3Å; I54-A56 PolarHBondContact O-N 2.75Å; I54-E82 HydrophobicContact CG1-CB 4.38Å
55	H	74.2	Confident	80.7	Confident	39 Å²	39	33 Å²	33	18%	0.181	18%	0.178	C	C	.	.	S	Bend	trans	62.4	27.3	179.6	-54.2	141.1	0	0	0	114.4	R57 E82 N83 Y626 T653	H55-R57 PolarHBondContact O-N 3.16Å; H55-E82 PolarHBondContact N-O 3.17Å; H55-N83 WeakPolarHBondContact CA-O 3.2Å; H55-N83 VanDerWaalsContact CD2-CB 3.42Å; H55-N83 WeakPolarHBondContact CD2-CB 3.44Å; H55-N83 PolarHBondContact CD2-ND2 3.1Å; H55-N83 VanDerWaalsContact CD2-ND2 3.35Å; H55-N83 PolarHBondContact NE2-ND2 3.1Å; H55-Y626 HydrophobicContact CB-CD2 3.88Å; H55-Y626 HydrophobicContact CB-CE2 3.89Å; H55-Y626 AromaticContact CE1-CE1 3.97Å; H55-Y626 AromaticContact CE1-CE2 3.81Å; H55-Y626 AromaticContact CE1-CZ 3.53Å; H55-Y626 AromaticContact CG-CD2 3.96Å; H55-Y626 AromaticContact CG-CE2 3.65Å; H55-Y626 AromaticContact ND1-CD2 3.33Å; H55-Y626 VanDerWaalsContact ND1-CD2 3.33Å; H55-Y626 WeakPolarHBondContact ND1-CD2 3.46Å; H55-Y626 AromaticContact ND1-CE1 3.68Å; H55-Y626 AromaticContact ND1-CE2 2.97Å; H55-Y626 WeakPolarHBondContact ND1-CE2 3.42Å; H55-Y626 AromaticContact ND1-CG 3.84Å; H55-Y626 AromaticContact ND1-CZ 3.15Å; H55-T653 HydrophobicContact CB-CG2 3.99Å; H55-T653 WeakPolarHBondContact O-CG2 3.49Å
56	A	75.2	Confident	82.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.			trans	-55.8	131.3	-178.4	0	0	0	0	0	112	P35 I54 T58 V62 V84 Q85	P35-A56 HydrophobicContact CG-CB 3.88Å; I54-A56 VanDerWaalsContact C-N 3.3Å; I54-A56 PolarHBondContact O-N 2.75Å; A56-T58 PolarHBondContact O-N 3.1Å; A56-V62 HydrophobicContact CB-CG2 3.51Å; A56-V84 HydrophobicContact CB-CG2 4.36Å; A56-V84 WeakPolarHBondContact O-CA 3.41Å; A56-Q85 PolarHBondContact O-N 3.02Å
57	R	71.8	Confident	83.8	Confident	45 Å²	45	33.9 Å²	33.9	17%	0.17	15%	0.154	C	C	.	.	S	Bend	trans	-54.9	-50.3	-177.2	-67.1	-175	-179.7	-169.1	-0.5	112.3	H55 L647 V652 T653	H55-R57 PolarHBondContact O-N 3.16Å; R57-L647 PolarHBondContact NH2-O 3.34Å; R57-V652 PolarHBondContact NE-O 3.32Å; R57-V652 PolarHBondContact NH2-O 3.37Å; R57-T653 HydrophobicContact CG-CG2 4.03Å
58	T	77.2	Confident	84.7	Confident	36 Å²	36	33.2 Å²	33.2	22%	0.221	15%	0.15	C	C	.	.			trans	-145.8	159.4	-179.2	67.9	0	0	0	0	111.3	A56 Y60 H61 D86	A56-T58 PolarHBondContact O-N 3.1Å; T58-Y60 PolarHBondContact O-N 2.83Å; T58-H61 PolarHBondContact O-N 3.11Å; T58-H61 PolarHBondContact OG1-ND1 3.2Å; T58-D86 HydrophobicContact CG2-CB 4.39Å
59	W	83.2	Confident	85.1	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-25.6	173.1	-76.5	110.6	0	0	0	113.7	V62 R63 I81 V84 M93 I96 M107 C110 M112	W59-V62 HydrophobicContact CE3-CB 4.39Å; W59-V62 HydrophobicContact CE3-CG1 4.44Å; W59-V62 HydrophobicContact CZ3-CG1 4.45Å; W59-V62 PolarHBondContact O-N 2.72Å; W59-R63 WeakPolarHBondContact O-CB 3.34Å; W59-R63 PolarHBondContact O-N 3.31Å; W59-I81 HydrophobicContact CH2-CD1 4.47Å; W59-I81 HydrophobicContact CH2-CG2 3.99Å; W59-I81 HydrophobicContact CZ3-CD1 4.05Å; W59-I81 HydrophobicContact CZ3-CG2 4.18Å; W59-V84 HydrophobicContact CD2-CG1 3.97Å; W59-V84 HydrophobicContact CG-CG1 4.02Å; W59-V84 HydrophobicContact CH2-CG2 4.08Å; W59-V84 HydrophobicContact CZ2-CB 4.11Å; W59-V84 HydrophobicContact CZ2-CG1 4.37Å; W59-V84 HydrophobicContact CZ2-CG2 3.94Å; W59-V84 HydrophobicContact CZ3-CG2 4.41Å; W59-M93 HydrophobicContact CB-SD 3.72Å; W59-M93 HydrophobicContact CD2-CE 3.79Å; W59-M93 HydrophobicContact CD2-SD 3.37Å; W59-M93 HydrophobicContact CE3-CE 3.71Å; W59-M93 HydrophobicContact CE3-SD 3.51Å; W59-M93 VanDerWaalsContact CE3-SD 3.51Å; W59-M93 HydrophobicContact CG-CE 4.46Å; W59-M93 HydrophobicContact CG-CG 4.3Å; W59-M93 HydrophobicContact CG-SD 3.5Å; W59-M93 HydrophobicContact CH2-CE 4.03Å; W59-M93 HydrophobicContact CZ2-CE 4.14Å; W59-M93 HydrophobicContact CZ3-CE 3.81Å; W59-M93 HydrophobicContact CZ3-SD 4.23Å; W59-I96 HydrophobicContact CB-CD1 4.4Å; W59-I96 HydrophobicContact CD2-CD1 4.34Å; W59-I96 HydrophobicContact CE3-CD1 3.4Å; W59-I96 HydrophobicContact CZ3-CD1 4.01Å; W59-M107 HydrophobicContact CH2-CE 3.65Å; W59-M107 HydrophobicContact CZ2-CE 4.09Å; W59-C110 HydrophobicContact CZ2-CB 4.03Å; W59-M112 HydrophobicContact CH2-SD 3.95Å; W59-M112 HydrophobicContact CZ2-CG 4.08Å; W59-M112 HydrophobicContact CZ2-SD 3.28Å; W59-M112 WeakPolarHBondContact CZ2-SD 3.45Å
60	Y	81.8	Confident	85.2	Confident	61 Å²	61	35.8 Å²	35.8	24%	0.239	16%	0.158	C	C	.	.	H	α-helix	trans	-58.4	-50.1	174.5	175.7	-90.5	0	0	0	111.9	T58 V62 R63 E64 L92 G702	T58-Y60 PolarHBondContact O-N 2.83Å; Y60-V62 VanDerWaalsContact C-N 3.33Å; Y60-V62 PolarHBondContact O-N 3.27Å; Y60-R63 VanDerWaalsContact CE2-NH2 3.34Å; Y60-R63 WeakPolarHBondContact O-CA 3.41Å; Y60-R63 VanDerWaalsContact O-CB 3.29Å; Y60-R63 WeakPolarHBondContact O-CB 3.17Å; Y60-R63 PolarHBondContact O-N 3.17Å; Y60-R63 VanDerWaalsContact O-N 3.08Å; Y60-E64 HydrophobicContact CD1-CG 4.34Å; Y60-E64 HydrophobicContact CE1-CG 3.92Å; Y60-E64 PolarHBondContact O-N 3.28Å; Y60-L92 HydrophobicContact CD2-CD2 4.06Å; Y60-G702 VanDerWaalsContact CZ-O 3.26Å; Y60-G702 PolarHBondContact OH-O 3.35Å
61	H	80.8	Confident	84.7	Confident	56 Å²	56	35.8 Å²	35.8	26%	0.259	17%	0.165	S	C	.	.	H	α-helix	trans	-64.9	-40.2	-177.8	-67.6	89	0	0	0	111.4	P35 T58 R63 E64 V65	P35-H61 HydrophobicContact CG-CB 4.13Å; T58-H61 PolarHBondContact O-N 3.11Å; T58-H61 PolarHBondContact OG1-ND1 3.2Å; H61-R63 VanDerWaalsContact C-N 3.29Å; H61-R63 PolarHBondContact O-N 2.71Å; H61-E64 PolarHBondContact O-N 3.31Å; H61-V65 WeakPolarHBondContact O-CG2 3.25Å; H61-V65 PolarHBondContact O-N 3.41Å
62	V	87.8	Confident	83.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-42.9	173.2	-179.7	0	0	0	0	110.4	A56 W59 Y60 E64 V65 L66 I81 I96	A56-V62 HydrophobicContact CB-CG2 3.51Å; W59-V62 HydrophobicContact CE3-CB 4.39Å; W59-V62 HydrophobicContact CE3-CG1 4.44Å; W59-V62 HydrophobicContact CZ3-CG1 4.45Å; W59-V62 PolarHBondContact O-N 2.72Å; Y60-V62 VanDerWaalsContact C-N 3.33Å; Y60-V62 PolarHBondContact O-N 3.27Å; V62-E64 PolarHBondContact O-N 3.03Å; V62-V65 PolarHBondContact O-N 3.06Å; V62-L66 HydrophobicContact CG1-CD1 3.88Å; V62-L66 HydrophobicContact CG1-CG 4.26Å; V62-L66 WeakPolarHBondContact O-CB 2.85Å; V62-L66 VanDerWaalsContact O-CG 3.24Å; V62-L66 WeakPolarHBondContact O-CG 3.27Å; V62-L66 PolarHBondContact O-N 3.19Å; V62-I81 HydrophobicContact CG1-CD1 4.04Å; V62-I96 HydrophobicContact CB-CD1 4.34Å; V62-I96 HydrophobicContact CG1-CD1 4.23Å
63	R	88.1	Confident	82.6	Confident	56 Å²	56	46.4 Å²	46.4	21%	0.211	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-43.5	176.7	-173.5	-176.5	74	-169.3	1.8	112.8	W59 Y60 H61 L66 R67 I96	W59-R63 WeakPolarHBondContact O-CB 3.34Å; W59-R63 PolarHBondContact O-N 3.31Å; Y60-R63 VanDerWaalsContact CE2-NH2 3.34Å; Y60-R63 WeakPolarHBondContact O-CA 3.41Å; Y60-R63 VanDerWaalsContact O-CB 3.29Å; Y60-R63 WeakPolarHBondContact O-CB 3.17Å; Y60-R63 PolarHBondContact O-N 3.17Å; Y60-R63 VanDerWaalsContact O-N 3.08Å; H61-R63 VanDerWaalsContact C-N 3.29Å; H61-R63 PolarHBondContact O-N 2.71Å; R63-L66 PolarHBondContact O-N 2.98Å; R63-R67 PolarHBondContact O-N 3.42Å; R63-I96 HydrophobicContact CB-CD1 4.12Å; R63-I96 HydrophobicContact CB-CG1 3.84Å; R63-I96 HydrophobicContact CG-CB 4.49Å; R63-I96 HydrophobicContact CG-CG1 4.17Å
64	E	85.9	Confident	82	Confident	59 Å²	59	50.4 Å²	50.4	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-68	-36	179.8	-67.5	-46.8	124.3	0	0	112.6	Y60 H61 V62 R67 Q68	Y60-E64 HydrophobicContact CD1-CG 4.34Å; Y60-E64 HydrophobicContact CE1-CG 3.92Å; Y60-E64 PolarHBondContact O-N 3.28Å; H61-E64 PolarHBondContact O-N 3.31Å; V62-E64 PolarHBondContact O-N 3.03Å; E64-R67 WeakPolarHBondContact O-CB 3.5Å; E64-R67 PolarHBondContact O-N 3.23Å; E64-R67 IonicContact OE2-NE 2.79Å; E64-R67 PolarHBondContact OE2-NE 3.37Å; E64-Q68 PolarHBondContact O-NE2 3.22Å
65	V	88.4	Confident	82.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-51.3	169.7	171.2	0	0	0	0	110.5	I33 K34 C36 H61 V62 R67 Q68 F69	I33-V65 HydrophobicContact CD1-CG1 3.9Å; I33-V65 HydrophobicContact CG1-CG1 3.68Å; I33-V65 VanDerWaalsContact O-CG2 3.22Å; I33-V65 WeakPolarHBondContact O-CG2 3.23Å; K34-V65 VanDerWaalsContact O-CG2 3.23Å; K34-V65 WeakPolarHBondContact O-CG2 3.04Å; C36-V65 HydrophobicContact CB-CG1 4.11Å; H61-V65 WeakPolarHBondContact O-CG2 3.25Å; H61-V65 PolarHBondContact O-N 3.41Å; V62-V65 PolarHBondContact O-N 3.06Å; V65-R67 PolarHBondContact O-N 2.96Å; V65-Q68 WeakPolarHBondContact O-CB 3.49Å; V65-Q68 PolarHBondContact O-N 3.41Å; V65-Q68 VanDerWaalsContact O-N 3.16Å; V65-F69 HydrophobicContact CG1-CE2 4.22Å
66	L	91.9	Very high	83.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-26.8	-177.9	-69.1	179.1	0	0	0	113.1	V62 R63 Q68 F69 L79 I96 F97 L100	V62-L66 HydrophobicContact CG1-CD1 3.88Å; V62-L66 HydrophobicContact CG1-CG 4.26Å; V62-L66 WeakPolarHBondContact O-CB 2.85Å; V62-L66 VanDerWaalsContact O-CG 3.24Å; V62-L66 WeakPolarHBondContact O-CG 3.27Å; V62-L66 PolarHBondContact O-N 3.19Å; R63-L66 PolarHBondContact O-N 2.98Å; L66-Q68 PolarHBondContact O-N 3.5Å; L66-Q68 VanDerWaalsContact O-N 3.12Å; L66-F69 PolarHBondContact O-N 2.82Å; L66-L79 HydrophobicContact CD1-CD2 4.26Å; L66-L79 HydrophobicContact CD2-CD1 3.91Å; L66-L79 HydrophobicContact CD2-CD2 3.76Å; L66-I96 HydrophobicContact CD1-CG1 4.13Å; L66-F97 HydrophobicContact CD1-CD1 3.72Å; L66-F97 HydrophobicContact CD1-CE1 3.79Å; L66-L100 HydrophobicContact CB-CD1 4.17Å; L66-L100 HydrophobicContact CD1-CD1 4.11Å; L66-L100 HydrophobicContact CD2-CD1 4.05Å; L66-L100 HydrophobicContact CG-CD1 4.34Å
67	R	89.8	Confident	83.9	Confident	149 Å²	149	49.8 Å²	49.8	56%	0.562	22%	0.223	S	C	*	.	H	α-helix	trans	-55	-31.3	175	-169.1	173.1	72	92.4	1	112.5	R63 E64 V65 F69 R70	R63-R67 PolarHBondContact O-N 3.42Å; E64-R67 WeakPolarHBondContact O-CB 3.5Å; E64-R67 PolarHBondContact O-N 3.23Å; E64-R67 IonicContact OE2-NE 2.79Å; E64-R67 PolarHBondContact OE2-NE 3.37Å; V65-R67 PolarHBondContact O-N 2.96Å; R67-F69 VanDerWaalsContact C-N 3.28Å; R67-F69 PolarHBondContact O-N 3.18Å; R67-R70 WeakPolarHBondContact O-CG 3.43Å; R67-R70 PolarHBondContact O-N 2.84Å
68	Q	87.3	Confident	84.9	Confident	52 Å²	52	49.7 Å²	49.7	24%	0.243	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.4	179.4	-65.1	166.7	73.6	0	0	113.4	P28 S32 E64 V65 L66 R74	P28-Q68 VanDerWaalsContact CB-OE1 3.23Å; P28-Q68 HydrophobicContact CG-CB 4.1Å; S32-Q68 VanDerWaalsContact CB-OE1 3.25Å; S32-Q68 PolarHBondContact O-NE2 3.41Å; S32-Q68 PolarHBondContact OG-OE1 3.16Å; E64-Q68 PolarHBondContact O-NE2 3.22Å; V65-Q68 WeakPolarHBondContact O-CB 3.49Å; V65-Q68 PolarHBondContact O-N 3.41Å; V65-Q68 VanDerWaalsContact O-N 3.16Å; L66-Q68 PolarHBondContact O-N 3.5Å; L66-Q68 VanDerWaalsContact O-N 3.12Å; Q68-R74 WeakPolarHBondContact O-CD 3.18Å; Q68-R74 PolarHBondContact O-NE 3.2Å; Q68-R74 PolarHBondContact O-NH1 3.16Å
69	F	89.8	Confident	85.8	Confident	3 Å²	3	48 Å²	48	1%	0.013	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	7.2	177.1	-63.4	-78.9	0	0	0	113.2	P28 I33 V49 V51 V65 L66 R67 R74 I76 L100	P28-F69 VanDerWaalsContact CD-CZ 3.46Å; P28-F69 HydrophobicContact CG-CE1 4.11Å; P28-F69 HydrophobicContact CG-CE2 4.26Å; P28-F69 HydrophobicContact CG-CZ 3.76Å; I33-F69 HydrophobicContact CD1-CE2 3.29Å; I33-F69 HydrophobicContact CD1-CZ 3.24Å; V49-F69 HydrophobicContact CG2-CD1 4.23Å; V49-F69 HydrophobicContact CG2-CE1 3.85Å; V51-F69 HydrophobicContact CG2-CD2 4.49Å; V51-F69 HydrophobicContact CG2-CE1 4.14Å; V51-F69 HydrophobicContact CG2-CE2 3.86Å; V51-F69 HydrophobicContact CG2-CZ 3.65Å; V65-F69 HydrophobicContact CG1-CE2 4.22Å; L66-F69 PolarHBondContact O-N 2.82Å; R67-F69 VanDerWaalsContact C-N 3.28Å; R67-F69 PolarHBondContact O-N 3.18Å; F69-R74 WeakPolarHBondContact O-CB 2.84Å; F69-I76 HydrophobicContact CB-CD1 3.76Å; F69-I76 HydrophobicContact CB-CG1 4.31Å; F69-I76 HydrophobicContact CD1-CD1 4.4Å; F69-I76 HydrophobicContact CD1-CG1 4.24Å; F69-I76 HydrophobicContact CD2-CD1 4.49Å; F69-I76 HydrophobicContact CG-CD1 3.98Å; F69-I76 HydrophobicContact CG-CG1 4.32Å; F69-L100 HydrophobicContact CB-CD2 3.8Å; F69-L100 WeakPolarHBondContact O-CD2 3.29Å
70	R	90	Very high	86.3	Confident	74 Å²	74	49.6 Å²	49.6	28%	0.279	22%	0.222	S	C	.	.			trans	-73.5	140.2	178.9	-64.3	-175.2	177.2	163.1	2.4	111.7	R67 G95 R98 H99 L100	R67-R70 WeakPolarHBondContact O-CG 3.43Å; R67-R70 PolarHBondContact O-N 2.84Å; R70-G95 PolarHBondContact NH2-O 2.73Å; R70-R98 WeakPolarHBondContact CD-O 3.4Å; R70-R98 VanDerWaalsContact CG-O 3.31Å; R70-R98 WeakPolarHBondContact CG-O 3.49Å; R70-R98 PolarHBondContact NE-O 3.11Å; R70-H99 VanDerWaalsContact CA-O 3.27Å; R70-H99 WeakPolarHBondContact CA-O 3.06Å; R70-H99 HydrophobicContact CB-CB 3.99Å; R70-H99 HydrophobicContact CG-CB 4.16Å; R70-L100 HydrophobicContact CG-CD2 4.11Å
71	G	81.2	Confident	86.9	Confident	30 Å²	30	46.7 Å²	46.7	31%	0.309	21%	0.211	S	C	.	.	S	Bend	trans	122.3	160.6	172.4	0	0	0	0	0	114	H73 R74 H99	G71-H73 PolarHBondContact O-N 3.18Å; G71-R74 PolarHBondContact O-N 3.47Å; G71-H99 PolarHBondContact N-O 3.24Å
72	E	68.3	Low	87.3	Confident	140 Å²	140	45.5 Å²	45.5	65%	0.654	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.5	-168.7	-64.3	-177.4	172.7	0	0	115.4	W21	W21-E72 VanDerWaalsContact CH2-O 3.27Å; W21-E72 WeakPolarHBondContact CH2-O 3.15Å; W21-E72 WeakPolarHBondContact CZ3-O 3.46Å
73	H	69.5	Low	87.2	Confident	114 Å²	114	47.4 Å²	47.4	53%	0.528	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	12.7	-175.1	-63.9	-40.4	0	0	0	113.4	G71	G71-H73 PolarHBondContact O-N 3.18Å
74	R	79	Confident	86.8	Confident	83 Å²	83	45.1 Å²	45.1	31%	0.313	21%	0.208	S	C	.	.			trans	-117.6	112.6	180	-66.3	-169.6	-179.4	-125.8	-5.6	109.9	Q68 F69 G71	Q68-R74 WeakPolarHBondContact O-CD 3.18Å; Q68-R74 PolarHBondContact O-NE 3.2Å; Q68-R74 PolarHBondContact O-NH1 3.16Å; F69-R74 WeakPolarHBondContact O-CB 2.84Å; G71-R74 PolarHBondContact O-N 3.47Å
75	F	86.7	Confident	85.9	Confident	38 Å²	38	45.9 Å²	45.9	17%	0.167	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.9	-179.3	-174.9	-96.6	0	0	0	110.4	V48 V49 Q77 H101 E103	V48-F75 HydrophobicContact CG1-CD1 4.08Å; V48-F75 HydrophobicContact CG1-CE1 4.33Å; V48-F75 HydrophobicContact CG2-CD1 4.04Å; V49-F75 PolarHBondContact N-O 3.13Å; F75-Q77 HydrophobicContact CE1-CB 4.12Å; F75-H101 HydrophobicContact CD2-CB 4.41Å; F75-E103 HydrophobicContact CE1-CB 4.07Å; F75-E103 WeakPolarHBondContact CE1-OE2 3.44Å; F75-E103 HydrophobicContact CE2-CB 4.39Å; F75-E103 HydrophobicContact CZ-CB 3.57Å; F75-E103 HydrophobicContact CZ-CG 3.94Å; F75-E103 WeakPolarHBondContact CZ-OE2 3.23Å
76	I	91.5	Very high	85	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.5	172.8	-58.4	167	0	0	0	107.4	V49 V51 F69 L78 L79 L100 H101 V102 E103	V49-I76 HydrophobicContact CG2-CG1 4.23Å; V49-I76 CarbonylContact O-C 3.49Å; V49-I76 WeakPolarHBondContact O-CA 3.4Å; V51-I76 HydrophobicContact CB-CG2 4.48Å; V51-I76 HydrophobicContact CG2-CG2 4.26Å; F69-I76 HydrophobicContact CB-CD1 3.76Å; F69-I76 HydrophobicContact CB-CG1 4.31Å; F69-I76 HydrophobicContact CD1-CD1 4.4Å; F69-I76 HydrophobicContact CD1-CG1 4.24Å; F69-I76 HydrophobicContact CD2-CD1 4.49Å; F69-I76 HydrophobicContact CG-CD1 3.98Å; F69-I76 HydrophobicContact CG-CG1 4.32Å; I76-L78 VanDerWaalsContact CG2-C 3.5Å; I76-L78 WeakPolarHBondContact CG2-O 3.47Å; I76-L79 HydrophobicContact CG2-CB 3.97Å; I76-L100 HydrophobicContact CD1-CD2 4.43Å; I76-H101 PolarHBondContact N-O 3.44Å; I76-V102 HydrophobicContact CB-CG2 4.36Å; I76-V102 HydrophobicContact CD1-CG2 4.3Å; I76-V102 HydrophobicContact CG2-CG1 4.49Å; I76-V102 CarbonylContact O-C 3.39Å; I76-V102 VanDerWaalsContact O-CA 3.26Å; I76-V102 WeakPolarHBondContact O-CA 3.48Å; I76-E103 PolarHBondContact O-N 2.89Å
77	Q	91.2	Very high	83.3	Confident	47 Å²	47	50.8 Å²	50.8	22%	0.22	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-52.2	175.1	166.8	-179.3	48.4	0	0	110.4	V48 V49 N50 F75 E103 Q104	V48-Q77 HydrophobicContact CG1-CB 3.25Å; V48-Q77 HydrophobicContact CG1-CG 4.15Å; V49-Q77 PolarHBondContact O-N 3.2Å; N50-Q77 PolarHBondContact ND2-OE1 3.2Å; N50-Q77 WeakPolarHBondContact OD1-CB 3.38Å; N50-Q77 PolarHBondContact OD1-OE1 3.12Å; F75-Q77 HydrophobicContact CE1-CB 4.12Å; Q77-E103 VanDerWaalsContact O-CB 3.25Å; Q77-E103 WeakPolarHBondContact O-CB 3.46Å; Q77-Q104 PolarHBondContact O-N 2.99Å
78	L	93.8	Very high	81.7	Confident	42 Å²	42	51 Å²	51	22%	0.22	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.1	175.4	178.4	62.4	0	0	0	111.1	N50 V51 I76 H80 Q104 I106	N50-L78 CarbonylContact C-O 3.15Å; N50-L78 WeakPolarHBondContact CA-O 3.42Å; N50-L78 HydrophobicContact CB-CB 4.26Å; N50-L78 VanDerWaalsContact OD1-CB 3.27Å; N50-L78 WeakPolarHBondContact OD1-CB 3.48Å; N50-L78 PolarHBondContact OD1-N 3.19Å; V51-L78 PolarHBondContact N-O 2.93Å; I76-L78 VanDerWaalsContact CG2-C 3.5Å; I76-L78 WeakPolarHBondContact CG2-O 3.47Å; L78-H80 HydrophobicContact CD1-CB 4.4Å; L78-H80 HydrophobicContact CD2-CB 4.5Å; L78-H80 HydrophobicContact CG-CB 4.27Å; L78-Q104 HydrophobicContact CD1-CB 4Å; L78-I106 HydrophobicContact CD1-CD1 3.78Å; L78-I106 HydrophobicContact CD1-CG1 4.02Å
79	L	95.6	Very high	80.1	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	99.9	164.5	179.7	51.6	0	0	0	109	V51 L66 I76 I81 F97 V102 Q104 L105 I106	V51-L79 HydrophobicContact CB-CD1 3.96Å; V51-L79 HydrophobicContact CG1-CD1 3.9Å; V51-L79 WeakPolarHBondContact O-CA 3.46Å; L66-L79 HydrophobicContact CD1-CD2 4.26Å; L66-L79 HydrophobicContact CD2-CD1 3.91Å; L66-L79 HydrophobicContact CD2-CD2 3.76Å; I76-L79 HydrophobicContact CG2-CB 3.97Å; L79-I81 HydrophobicContact CD1-CD1 4.36Å; L79-I81 HydrophobicContact CD1-CG1 4.17Å; L79-I81 HydrophobicContact CG-CD1 4.29Å; L79-I81 HydrophobicContact CG-CG1 4.33Å; L79-F97 HydrophobicContact CD2-CD1 4.07Å; L79-F97 HydrophobicContact CD2-CE1 3.89Å; L79-V102 HydrophobicContact CB-CG1 3.85Å; L79-V102 HydrophobicContact CD2-CG2 4.37Å; L79-Q104 PolarHBondContact N-O 3.44Å; L79-L105 HydrophobicContact CB-CD1 4.1Å; L79-L105 HydrophobicContact CD2-CD1 3.88Å; L79-L105 HydrophobicContact CG-CD1 3.78Å; L79-L105 WeakPolarHBondContact O-CA 3.36Å; L79-I106 PolarHBondContact O-N 2.84Å
80	H	94.5	Very high	78.4	Confident	36 Å²	36	52.1 Å²	52.1	17%	0.167	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.7	179.1	-177.5	-155.4	0	0	0	110.9	V51 T52 C53 L78 E82	V51-H80 PolarHBondContact O-N 3.46Å; T52-H80 CarbonylContact C-O 3.6Å; T52-H80 WeakPolarHBondContact CA-O 3.33Å; T52-H80 HydrophobicContact CG2-CB 4.37Å; C53-H80 PolarHBondContact N-O 3.22Å; L78-H80 HydrophobicContact CD1-CB 4.4Å; L78-H80 HydrophobicContact CD2-CB 4.5Å; L78-H80 HydrophobicContact CG-CB 4.27Å; H80-E82 IonicContact CE1-OE2 2.74Å; H80-E82 PolarHBondContact CE1-OE2 2.78Å; H80-E82 IonicContact NE2-OE2 3.4Å
81	I	93	Very high	77	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.2	178.4	-56.4	173.2	0	0	0	107.9	C53 W59 V62 L79 V84 F97 L105 I106 M107 K108	C53-I81 HydrophobicContact CB-CG1 4.34Å; C53-I81 WeakPolarHBondContact O-CA 3.43Å; W59-I81 HydrophobicContact CH2-CD1 4.47Å; W59-I81 HydrophobicContact CH2-CG2 3.99Å; W59-I81 HydrophobicContact CZ3-CD1 4.05Å; W59-I81 HydrophobicContact CZ3-CG2 4.18Å; V62-I81 HydrophobicContact CG1-CD1 4.04Å; L79-I81 HydrophobicContact CD1-CD1 4.36Å; L79-I81 HydrophobicContact CD1-CG1 4.17Å; L79-I81 HydrophobicContact CG-CD1 4.29Å; L79-I81 HydrophobicContact CG-CG1 4.33Å; I81-V84 HydrophobicContact CG2-CG2 3.39Å; I81-F97 HydrophobicContact CD1-CE1 3.89Å; I81-F97 HydrophobicContact CD1-CZ 4.01Å; I81-L105 HydrophobicContact CD1-CD1 4.42Å; I81-I106 PolarHBondContact N-O 3.43Å; I81-M107 HydrophobicContact CB-CG 4.41Å; I81-M107 CarbonylContact O-C 3.05Å; I81-M107 VanDerWaalsContact O-CA 3.32Å; I81-M107 WeakPolarHBondContact O-CA 3.37Å; I81-K108 PolarHBondContact O-N 3.29Å
82	E	91	Very high	76	Confident	32 Å²	32	54.4 Å²	54.4	15%	0.15	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.1	-178.3	-177.9	166.3	-165.5	0	0	110.8	C53 I54 H55 H80 V84 K108	C53-E82 PolarHBondContact O-N 3.32Å; I54-E82 HydrophobicContact CG1-CB 4.38Å; H55-E82 PolarHBondContact N-O 3.17Å; H80-E82 IonicContact CE1-OE2 2.74Å; H80-E82 PolarHBondContact CE1-OE2 2.78Å; H80-E82 IonicContact NE2-OE2 3.4Å; E82-V84 PolarHBondContact O-N 3.47Å; E82-K108 WeakPolarHBondContact CA-O 3.49Å; E82-K108 HydrophobicContact CB-CB 4.36Å; E82-K108 HydrophobicContact CG-CB 4.12Å; E82-K108 HydrophobicContact CG-CD 4.41Å; E82-K108 HydrophobicContact CG-CG 4.35Å; E82-K108 WeakPolarHBondContact OE1-CD 3.34Å; E82-K108 WeakPolarHBondContact OE1-CE 3.46Å; E82-K108 IonicContact OE1-NZ 3.99Å; E82-K108 PolarHBondContact OE1-NZ 3.33Å
83	N	84.4	Confident	76	Confident	39 Å²	39	47.9 Å²	47.9	21%	0.209	25%	0.249	C	C	.	.			trans	55.7	50.9	172.1	-64.6	-22.5	0	0	0	114.1	H55 Q85 K108 N109	H55-N83 WeakPolarHBondContact CA-O 3.2Å; H55-N83 VanDerWaalsContact CD2-CB 3.42Å; H55-N83 WeakPolarHBondContact CD2-CB 3.44Å; H55-N83 PolarHBondContact CD2-ND2 3.1Å; H55-N83 VanDerWaalsContact CD2-ND2 3.35Å; H55-N83 PolarHBondContact NE2-ND2 3.1Å; N83-Q85 PolarHBondContact O-N 3.15Å; N83-K108 PolarHBondContact N-O 3.38Å; N83-N109 WeakPolarHBondContact OD1-CB 3.37Å; N83-N109 PolarHBondContact OD1-ND2 3.09Å
84	V	79.7	Confident	76.6	Confident	8 Å²	8	50.6 Å²	50.6	5%	0.048	25%	0.254	C	S	.	.			trans	-72.6	124.6	170.8	-173.9	0	0	0	0	109.2	A56 W59 I81 E82 D86	A56-V84 HydrophobicContact CB-CG2 4.36Å; A56-V84 WeakPolarHBondContact O-CA 3.41Å; W59-V84 HydrophobicContact CD2-CG1 3.97Å; W59-V84 HydrophobicContact CG-CG1 4.02Å; W59-V84 HydrophobicContact CH2-CG2 4.08Å; W59-V84 HydrophobicContact CZ2-CB 4.11Å; W59-V84 HydrophobicContact CZ2-CG1 4.37Å; W59-V84 HydrophobicContact CZ2-CG2 3.94Å; W59-V84 HydrophobicContact CZ3-CG2 4.41Å; I81-V84 HydrophobicContact CG2-CG2 3.39Å; E82-V84 PolarHBondContact O-N 3.47Å; V84-D86 PolarHBondContact O-N 3.41Å
85	Q	67.2	Low	76.8	Confident	75 Å²	75	47 Å²	47	35%	0.35	24%	0.243	S	C	.	.			trans	-79.3	-19.7	-165.3	-58.9	170.8	-2.5	0	0	114	A56 N83 T656	A56-Q85 PolarHBondContact O-N 3.02Å; N83-Q85 PolarHBondContact O-N 3.15Å; Q85-T656 HydrophobicContact CG-CG2 3.95Å
86	D	70.1	Confident	76.9	Confident	32 Å²	32	45.1 Å²	45.1	17%	0.171	24%	0.235	C	C	.	.			trans	-89.4	119.7	-173.8	-173.7	18.4	0	0	0	113.2	T58 V84 H88	T58-D86 HydrophobicContact CG2-CB 4.39Å; V84-D86 PolarHBondContact O-N 3.41Å; D86-H88 WeakPolarHBondContact OD1-CB 3.18Å; D86-H88 IonicContact OD1-CG 3.98Å; D86-H88 PolarHBondContact OD1-N 3.2Å; D86-H88 IonicContact OD1-ND1 3.73Å
87	A	55.7	Low	77	Confident	73 Å²	73	45.2 Å²	45.2	60%	0.603	24%	0.235	S	C	*	.	S	Bend	trans	-83.5	-16.8	172	0	0	0	0	0	113.3	G89	A87-G89 PolarHBondContact O-N 2.97Å; A87-G89 VanDerWaalsContact O-N 3.11Å
88	H	56.6	Low	77	Confident	154 Å²	154	47.8 Å²	47.8	71%	0.713	24%	0.243	S	C	*	.			trans	-82.6	26.2	-178.2	-66.5	89.6	0	0	0	113.5	D86 D90	D86-H88 WeakPolarHBondContact OD1-CB 3.18Å; D86-H88 IonicContact OD1-CG 3.98Å; D86-H88 PolarHBondContact OD1-N 3.2Å; D86-H88 IonicContact OD1-ND1 3.73Å; H88-D90 PolarHBondContact O-N 2.68Å
89	G	53	Low	77	Confident	9 Å²	9	48.6 Å²	48.6	9%	0.093	25%	0.246	C	C	.	.	H	α-helix	trans	-59.5	-10.6	-175.8	0	0	0	0	0	116.3	A87 T91 L92 M93	A87-G89 PolarHBondContact O-N 2.97Å; A87-G89 VanDerWaalsContact O-N 3.11Å; G89-T91 VanDerWaalsContact C-N 3.31Å; G89-T91 PolarHBondContact O-N 3.16Å; G89-L92 PolarHBondContact O-N 3.43Å; G89-M93 VanDerWaalsContact O-CB 3.32Å; G89-M93 WeakPolarHBondContact O-CB 3.26Å; G89-M93 WeakPolarHBondContact O-CG 3.33Å; G89-M93 PolarHBondContact O-N 3.42Å; G89-M93 VanDerWaalsContact O-N 3.09Å
90	D	54.4	Low	76.9	Confident	69 Å²	69	48.6 Å²	48.6	37%	0.369	25%	0.246	S	C	.	.	H	α-helix	trans	-57.4	-35.7	-174.3	-85.5	-3.5	0	0	0	114.3	H88 K114 R116	H88-D90 PolarHBondContact O-N 2.68Å; D90-K114 WeakPolarHBondContact OD1-CB 3.05Å; D90-K114 VanDerWaalsContact OD2-CD 3.25Å; D90-K114 WeakPolarHBondContact OD2-CD 3.44Å; D90-K114 IonicContact OD2-NZ 2.66Å; D90-R116 VanDerWaalsContact O-CD 3.27Å; D90-R116 WeakPolarHBondContact O-CD 3.38Å; D90-R116 WeakPolarHBondContact O-CG 3.33Å; D90-R116 PolarHBondContact O-NH1 2.93Å
91	T	59.6	Low	76.8	Confident	110 Å²	110	48.1 Å²	48.1	68%	0.675	24%	0.243	S	C	*	.	H	α-helix	trans	-91	-35	177.9	47.5	0	0	0	0	112.7	G89	G89-T91 VanDerWaalsContact C-N 3.31Å; G89-T91 PolarHBondContact O-N 3.16Å
92	L	61.9	Low	76.8	Confident	41 Å²	41	48.2 Å²	48.2	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-81.2	-18.5	-172.3	-74.9	166.4	0	0	0	114.4	Y60 G89 R94	Y60-L92 HydrophobicContact CD2-CD2 4.06Å; G89-L92 PolarHBondContact O-N 3.43Å; L92-R94 PolarHBondContact O-N 3.21Å
93	M	68.1	Low	76.9	Confident	3 Å²	3	48 Å²	48	2%	0.015	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	9.3	-176.3	-70.5	-63.8	-91.2	0	0	115.4	W59 G89 G95 I96 M112 V119	W59-M93 HydrophobicContact CB-SD 3.72Å; W59-M93 HydrophobicContact CD2-CE 3.79Å; W59-M93 HydrophobicContact CD2-SD 3.37Å; W59-M93 HydrophobicContact CE3-CE 3.71Å; W59-M93 HydrophobicContact CE3-SD 3.51Å; W59-M93 VanDerWaalsContact CE3-SD 3.51Å; W59-M93 HydrophobicContact CG-CE 4.46Å; W59-M93 HydrophobicContact CG-CG 4.3Å; W59-M93 HydrophobicContact CG-SD 3.5Å; W59-M93 HydrophobicContact CH2-CE 4.03Å; W59-M93 HydrophobicContact CZ2-CE 4.14Å; W59-M93 HydrophobicContact CZ3-CE 3.81Å; W59-M93 HydrophobicContact CZ3-SD 4.23Å; G89-M93 VanDerWaalsContact O-CB 3.32Å; G89-M93 WeakPolarHBondContact O-CB 3.26Å; G89-M93 WeakPolarHBondContact O-CG 3.33Å; G89-M93 PolarHBondContact O-N 3.42Å; G89-M93 VanDerWaalsContact O-N 3.09Å; M93-G95 PolarHBondContact O-N 2.66Å; M93-I96 HydrophobicContact CE-CD1 4.23Å; M93-I96 HydrophobicContact CE-CG2 3.7Å; M93-I96 PolarHBondContact O-N 3.25Å; M93-I96 HydrophobicContact SD-CB 4.15Å; M93-I96 HydrophobicContact SD-CD1 3.53Å; M93-I96 VanDerWaalsContact SD-CD1 3.53Å; M93-I96 HydrophobicContact SD-CG1 4.44Å; M93-I96 HydrophobicContact SD-CG2 3.8Å; M93-M112 HydrophobicContact CE-CE 3.29Å; M93-M112 HydrophobicContact CE-SD 3.8Å; M93-M112 HydrophobicContact CG-CE 4.21Å; M93-M112 HydrophobicContact SD-CE 4.49Å; M93-V119 HydrophobicContact CB-CG2 4.19Å
94	R	80.7	Confident	77.4	Confident	171 Å²	171	49.6 Å²	49.6	65%	0.645	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	110.1	178.7	-165	-170.1	179	176.3	-4.8	110.6	L92 I96 D118	L92-R94 PolarHBondContact O-N 3.21Å; R94-I96 PolarHBondContact O-N 3.35Å; R94-D118 WeakPolarHBondContact CG-OD2 3.45Å; R94-D118 IonicContact NE-OD2 3.45Å
95	G	84.8	Confident	78.2	Confident	7 Å²	7	49.2 Å²	49.2	7%	0.072	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	34.6	176.8	0	0	0	0	0	114.2	R70 M93 F97 R98 D118	R70-G95 PolarHBondContact NH2-O 2.73Å; M93-G95 PolarHBondContact O-N 2.66Å; G95-F97 VanDerWaalsContact C-N 3.29Å; G95-F97 PolarHBondContact O-N 3.44Å; G95-R98 WeakPolarHBondContact O-CB 3.15Å; G95-R98 PolarHBondContact O-N 2.85Å; G95-R98 VanDerWaalsContact O-N 3.1Å; G95-D118 WeakPolarHBondContact CA-O 3.49Å; G95-D118 PolarHBondContact N-O 2.88Å
96	I	88.3	Confident	79.6	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-42.8	-177.5	-175.1	165.4	0	0	0	112	W59 V62 R63 L66 M93 R94 R98 V119	W59-I96 HydrophobicContact CB-CD1 4.4Å; W59-I96 HydrophobicContact CD2-CD1 4.34Å; W59-I96 HydrophobicContact CE3-CD1 3.4Å; W59-I96 HydrophobicContact CZ3-CD1 4.01Å; V62-I96 HydrophobicContact CB-CD1 4.34Å; V62-I96 HydrophobicContact CG1-CD1 4.23Å; R63-I96 HydrophobicContact CB-CD1 4.12Å; R63-I96 HydrophobicContact CB-CG1 3.84Å; R63-I96 HydrophobicContact CG-CB 4.49Å; R63-I96 HydrophobicContact CG-CG1 4.17Å; L66-I96 HydrophobicContact CD1-CG1 4.13Å; M93-I96 HydrophobicContact CE-CD1 4.23Å; M93-I96 HydrophobicContact CE-CG2 3.7Å; M93-I96 PolarHBondContact O-N 3.25Å; M93-I96 HydrophobicContact SD-CB 4.15Å; M93-I96 HydrophobicContact SD-CD1 3.53Å; M93-I96 VanDerWaalsContact SD-CD1 3.53Å; M93-I96 HydrophobicContact SD-CG1 4.44Å; M93-I96 HydrophobicContact SD-CG2 3.8Å; R94-I96 PolarHBondContact O-N 3.35Å; I96-R98 VanDerWaalsContact C-N 3.32Å; I96-V119 HydrophobicContact CG2-CG1 3.99Å
97	F	92.7	Very high	80.7	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.009	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	13.5	178.6	-58	-64.7	0	0	0	113.2	L66 L79 I81 G95 H99 L100 L105 M107 V119 F120 T123	L66-F97 HydrophobicContact CD1-CD1 3.72Å; L66-F97 HydrophobicContact CD1-CE1 3.79Å; L79-F97 HydrophobicContact CD2-CD1 4.07Å; L79-F97 HydrophobicContact CD2-CE1 3.89Å; I81-F97 HydrophobicContact CD1-CE1 3.89Å; I81-F97 HydrophobicContact CD1-CZ 4.01Å; G95-F97 VanDerWaalsContact C-N 3.29Å; G95-F97 PolarHBondContact O-N 3.44Å; F97-H99 PolarHBondContact O-N 3.43Å; F97-L100 HydrophobicContact CB-CD1 4.13Å; F97-L100 HydrophobicContact CD1-CD1 4.08Å; F97-L100 WeakPolarHBondContact O-CG 3.42Å; F97-L100 PolarHBondContact O-N 3.42Å; F97-L105 HydrophobicContact CE1-CD1 4.12Å; F97-L105 HydrophobicContact CE1-CD2 4.27Å; F97-L105 HydrophobicContact CE2-CD2 4.33Å; F97-L105 HydrophobicContact CZ-CD1 4.3Å; F97-L105 HydrophobicContact CZ-CD2 4.16Å; F97-M107 HydrophobicContact CE2-SD 4.31Å; F97-M107 HydrophobicContact CZ-SD 4.05Å; F97-V119 HydrophobicContact CD2-CG1 3.63Å; F97-V119 HydrophobicContact CE2-CG1 4.01Å; F97-V119 PolarHBondContact N-O 2.98Å; F97-F120 HydrophobicContact CB-CD1 3.65Å; F97-F120 HydrophobicContact CB-CE1 3.8Å; F97-F120 AromaticContact CD2-CD1 3.87Å; F97-F120 HydrophobicContact CD2-CD1 3.87Å; F97-F120 AromaticContact CD2-CE1 3.3Å; F97-F120 HydrophobicContact CD2-CE1 3.3Å; F97-F120 AromaticContact CD2-CZ 3.75Å; F97-F120 HydrophobicContact CD2-CZ 3.75Å; F97-F120 HydrophobicContact CE2-CE1 4.08Å; F97-F120 HydrophobicContact CE2-CZ 4.14Å; F97-F120 HydrophobicContact CG-CD1 4.1Å; F97-F120 AromaticContact CG-CE1 3.74Å; F97-F120 HydrophobicContact CG-CE1 3.74Å; F97-T123 HydrophobicContact CB-CG2 4.17Å; F97-T123 WeakPolarHBondContact O-CB 3.39Å; F97-T123 WeakPolarHBondContact O-CG2 3.31Å; F97-T123 PolarHBondContact O-OG1 2.91Å
98	R	91.9	Very high	82.5	Confident	101 Å²	101	46.9 Å²	46.9	38%	0.381	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	138.1	-175.6	173.9	166.4	-168.6	141.6	4.6	112	R70 G95 I96 L100 V121	R70-R98 WeakPolarHBondContact CD-O 3.4Å; R70-R98 VanDerWaalsContact CG-O 3.31Å; R70-R98 WeakPolarHBondContact CG-O 3.49Å; R70-R98 PolarHBondContact NE-O 3.11Å; G95-R98 WeakPolarHBondContact O-CB 3.15Å; G95-R98 PolarHBondContact O-N 2.85Å; G95-R98 VanDerWaalsContact O-N 3.1Å; I96-R98 VanDerWaalsContact C-N 3.32Å; R98-L100 VanDerWaalsContact C-N 3.27Å; R98-L100 PolarHBondContact O-N 2.78Å; R98-V121 WeakPolarHBondContact CA-O 3.33Å; R98-V121 HydrophobicContact CB-CB 4.24Å; R98-V121 HydrophobicContact CG-CB 3.96Å; R98-V121 HydrophobicContact CG-CG1 4.34Å
99	H	93.2	Very high	84.1	Confident	59 Å²	59	42.4 Å²	42.4	27%	0.273	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	32.5	175.4	-55.8	145.2	0	0	0	114.1	R70 G71 F97 V121 N122	R70-H99 VanDerWaalsContact CA-O 3.27Å; R70-H99 WeakPolarHBondContact CA-O 3.06Å; R70-H99 HydrophobicContact CB-CB 3.99Å; R70-H99 HydrophobicContact CG-CB 4.16Å; G71-H99 PolarHBondContact N-O 3.24Å; F97-H99 PolarHBondContact O-N 3.43Å; H99-V121 PolarHBondContact N-O 2.94Å; H99-N122 WeakPolarHBondContact CA-O 3.12Å; H99-N122 PolarHBondContact CD2-ND2 3.31Å; H99-N122 PolarHBondContact N-O 2.79Å
100	L	93.5	Very high	85.6	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.199	C	C	.	.			trans	-106.8	145.3	177.5	-60.2	179.5	0	0	0	111.5	L66 F69 R70 I76 F97 R98 V102 T123 T124	L66-L100 HydrophobicContact CB-CD1 4.17Å; L66-L100 HydrophobicContact CD1-CD1 4.11Å; L66-L100 HydrophobicContact CD2-CD1 4.05Å; L66-L100 HydrophobicContact CG-CD1 4.34Å; F69-L100 HydrophobicContact CB-CD2 3.8Å; F69-L100 WeakPolarHBondContact O-CD2 3.29Å; R70-L100 HydrophobicContact CG-CD2 4.11Å; I76-L100 HydrophobicContact CD1-CD2 4.43Å; F97-L100 HydrophobicContact CB-CD1 4.13Å; F97-L100 HydrophobicContact CD1-CD1 4.08Å; F97-L100 WeakPolarHBondContact O-CG 3.42Å; F97-L100 PolarHBondContact O-N 3.42Å; R98-L100 VanDerWaalsContact C-N 3.27Å; R98-L100 PolarHBondContact O-N 2.78Å; L100-V102 HydrophobicContact CB-CG2 3.98Å; L100-T123 HydrophobicContact CB-CG2 4.13Å; L100-T123 CarbonylContact O-C 3.02Å; L100-T123 VanDerWaalsContact O-CA 3.31Å; L100-T123 WeakPolarHBondContact O-CA 3.24Å; L100-T123 WeakPolarHBondContact O-CG2 2.78Å; L100-T124 PolarHBondContact O-N 3.32Å
101	H	92.3	Very high	86.6	Confident	26 Å²	26	42.3 Å²	42.3	12%	0.12	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	105.6	168.5	-60	-64.3	0	0	0	109.1	F75 I76 T124	F75-H101 HydrophobicContact CD2-CB 4.41Å; I76-H101 PolarHBondContact N-O 3.44Å; H101-T124 WeakPolarHBondContact CA-OG1 3.27Å; H101-T124 PolarHBondContact ND1-OG1 3.01Å
102	V	93.9	Very high	87.2	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.2	-174.1	-172.3	0	0	0	0	109.6	I76 L79 L100 Q104 L105 T124 V125 Y126	I76-V102 HydrophobicContact CB-CG2 4.36Å; I76-V102 HydrophobicContact CD1-CG2 4.3Å; I76-V102 HydrophobicContact CG2-CG1 4.49Å; I76-V102 CarbonylContact O-C 3.39Å; I76-V102 VanDerWaalsContact O-CA 3.26Å; I76-V102 WeakPolarHBondContact O-CA 3.48Å; L79-V102 HydrophobicContact CB-CG1 3.85Å; L79-V102 HydrophobicContact CD2-CG2 4.37Å; L100-V102 HydrophobicContact CB-CG2 3.98Å; V102-Q104 WeakPolarHBondContact CG1-O 3.44Å; V102-L105 HydrophobicContact CG1-CB 4.18Å; V102-T124 PolarHBondContact N-O 3.12Å; V102-V125 HydrophobicContact CB-CG2 4.42Å; V102-V125 VanDerWaalsContact O-CA 3.28Å; V102-V125 WeakPolarHBondContact O-CA 3.29Å; V102-Y126 PolarHBondContact O-N 2.78Å
103	E	92.8	Very high	87.6	Confident	27 Å²	27	41.2 Å²	41.2	13%	0.126	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-58.2	170.7	-156.9	-174.7	141.9	0	0	110	V13 F75 I76 Q77 Y126 S127	V13-E103 HydrophobicContact CG1-CG 4.07Å; F75-E103 HydrophobicContact CE1-CB 4.07Å; F75-E103 WeakPolarHBondContact CE1-OE2 3.44Å; F75-E103 HydrophobicContact CE2-CB 4.39Å; F75-E103 HydrophobicContact CZ-CB 3.57Å; F75-E103 HydrophobicContact CZ-CG 3.94Å; F75-E103 WeakPolarHBondContact CZ-OE2 3.23Å; I76-E103 PolarHBondContact O-N 2.89Å; Q77-E103 VanDerWaalsContact O-CB 3.25Å; Q77-E103 WeakPolarHBondContact O-CB 3.46Å; E103-Y126 WeakPolarHBondContact O-CB 3.24Å; E103-Y126 PolarHBondContact O-N 2.92Å; E103-S127 PolarHBondContact O-N 3.25Å
104	Q	96.1	Very high	87.9	Confident	73 Å²	73	47.8 Å²	47.8	34%	0.341	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.1	-177.2	-53.6	-173.4	-0.3	0	0	111	Q77 L78 L79 V102 S127	Q77-Q104 PolarHBondContact O-N 2.99Å; L78-Q104 HydrophobicContact CD1-CB 4Å; L79-Q104 PolarHBondContact N-O 3.44Å; V102-Q104 WeakPolarHBondContact CG1-O 3.44Å; Q104-S127 CarbonylContact C-O 3.36Å; Q104-S127 WeakPolarHBondContact CA-O 3.43Å
105	L	96.6	Very high	88	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.2	172.7	173.4	55	0	0	0	109.6	L79 I81 F97 V102 M107 F120 V125 S127 L128 S129	L79-L105 HydrophobicContact CB-CD1 4.1Å; L79-L105 HydrophobicContact CD2-CD1 3.88Å; L79-L105 HydrophobicContact CG-CD1 3.78Å; L79-L105 WeakPolarHBondContact O-CA 3.36Å; I81-L105 HydrophobicContact CD1-CD1 4.42Å; F97-L105 HydrophobicContact CE1-CD1 4.12Å; F97-L105 HydrophobicContact CE1-CD2 4.27Å; F97-L105 HydrophobicContact CE2-CD2 4.33Å; F97-L105 HydrophobicContact CZ-CD1 4.3Å; F97-L105 HydrophobicContact CZ-CD2 4.16Å; V102-L105 HydrophobicContact CG1-CB 4.18Å; L105-M107 HydrophobicContact CD1-CG 4.09Å; L105-M107 HydrophobicContact CD1-SD 4.5Å; L105-M107 HydrophobicContact CG-CG 4.42Å; L105-F120 HydrophobicContact CD2-CE1 4.04Å; L105-F120 HydrophobicContact CD2-CZ 4.2Å; L105-V125 HydrophobicContact CB-CG1 3.84Å; L105-V125 HydrophobicContact CD2-CG2 4.44Å; L105-S127 PolarHBondContact N-O 3.2Å; L105-L128 HydrophobicContact CB-CD1 4.24Å; L105-L128 HydrophobicContact CD2-CD1 3.86Å; L105-L128 HydrophobicContact CG-CD1 3.94Å; L105-S129 PolarHBondContact O-N 2.81Å
106	I	96.3	Very high	87.9	Confident	49 Å²	49	45.7 Å²	45.7	25%	0.251	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.4	176.7	-55.9	-177.4	0	0	0	109.1	L78 L79 I81 S129	L78-I106 HydrophobicContact CD1-CD1 3.78Å; L78-I106 HydrophobicContact CD1-CG1 4.02Å; L79-I106 PolarHBondContact O-N 2.84Å; I81-I106 PolarHBondContact N-O 3.43Å; I106-S129 CarbonylContact C-O 3.59Å; I106-S129 WeakPolarHBondContact CA-O 3.33Å
107	M	93.4	Very high	87.7	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	109.9	174.7	-70	177.9	52.4	0	0	109.3	W59 I81 F97 L105 C110 M112 W115 S129 I130 V131	W59-M107 HydrophobicContact CH2-CE 3.65Å; W59-M107 HydrophobicContact CZ2-CE 4.09Å; I81-M107 HydrophobicContact CB-CG 4.41Å; I81-M107 CarbonylContact O-C 3.05Å; I81-M107 VanDerWaalsContact O-CA 3.32Å; I81-M107 WeakPolarHBondContact O-CA 3.37Å; F97-M107 HydrophobicContact CE2-SD 4.31Å; F97-M107 HydrophobicContact CZ-SD 4.05Å; L105-M107 HydrophobicContact CD1-CG 4.09Å; L105-M107 HydrophobicContact CD1-SD 4.5Å; L105-M107 HydrophobicContact CG-CG 4.42Å; M107-C110 HydrophobicContact CE-CB 4.06Å; M107-M112 HydrophobicContact CE-SD 3.51Å; M107-M112 VanDerWaalsContact CE-SD 3.51Å; M107-W115 HydrophobicContact CE-CH2 3.6Å; M107-W115 HydrophobicContact CE-CZ2 3.63Å; M107-W115 HydrophobicContact SD-CH2 3.63Å; M107-W115 HydrophobicContact SD-CZ2 4.23Å; M107-S129 PolarHBondContact N-O 3Å; M107-I130 HydrophobicContact CB-CG1 4.43Å; M107-I130 CarbonylContact O-C 3.55Å; M107-I130 VanDerWaalsContact O-CA 3.29Å; M107-I130 WeakPolarHBondContact O-CA 3.49Å; M107-V131 PolarHBondContact O-N 3.31Å
108	K	92.9	Very high	87.4	Confident	80 Å²	80	54.9 Å²	54.9	35%	0.348	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.4	-176.5	-175.3	175	167.9	-142.4	0	111.2	I81 E82 N83 C110 V131	I81-K108 PolarHBondContact O-N 3.29Å; E82-K108 WeakPolarHBondContact CA-O 3.49Å; E82-K108 HydrophobicContact CB-CB 4.36Å; E82-K108 HydrophobicContact CG-CB 4.12Å; E82-K108 HydrophobicContact CG-CD 4.41Å; E82-K108 HydrophobicContact CG-CG 4.35Å; E82-K108 WeakPolarHBondContact OE1-CD 3.34Å; E82-K108 WeakPolarHBondContact OE1-CE 3.46Å; E82-K108 IonicContact OE1-NZ 3.99Å; E82-K108 PolarHBondContact OE1-NZ 3.33Å; N83-K108 PolarHBondContact N-O 3.38Å; K108-C110 PolarHBondContact O-N 3.26Å; K108-V131 WeakPolarHBondContact CA-O 3.43Å; K108-V131 HydrophobicContact CG-CB 4.32Å
109	N	89.1	Confident	87.3	Confident	61 Å²	61	50.1 Å²	50.1	33%	0.326	23%	0.232	S	C	.	.	S	Bend	trans	51.6	41.1	179.6	-167.7	36.9	0	0	0	112.3	N83 V131 S132	N83-N109 WeakPolarHBondContact OD1-CB 3.37Å; N83-N109 PolarHBondContact OD1-ND2 3.09Å; N109-V131 PolarHBondContact N-O 3.25Å; N109-S132 WeakPolarHBondContact CA-O 3.45Å
110	C	85.9	Confident	87.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.22	C	C	.	.			trans	-96.2	97.2	174.5	-69.9	0	0	0	0	107.3	W59 M107 K108 M112 S133	W59-C110 HydrophobicContact CZ2-CB 4.03Å; M107-C110 HydrophobicContact CE-CB 4.06Å; K108-C110 PolarHBondContact O-N 3.26Å; C110-M112 VanDerWaalsContact C-N 3.33Å; C110-M112 HydrophobicContact CB-CG 4.44Å; C110-M112 PolarHBondContact O-N 2.89Å; C110-S133 PolarHBondContact N-OG 3.12Å; C110-S133 VanDerWaalsContact O-CB 3.27Å; C110-S133 WeakPolarHBondContact O-CB 3.41Å; C110-S133 PolarHBondContact O-OG 3.03Å
111	L	75.1	Confident	87.1	Confident	76 Å²	76	49.1 Å²	49.1	40%	0.398	23%	0.23	S	C	.	.			trans	-63.2	88.6	-177.9	-62.3	175.3	0	0	0	110.8	R134	L111-R134 HydrophobicContact CD2-CG 4.15Å
112	M	72.8	Confident	87.1	Confident	10 Å²	10	53 Å²	53	5%	0.049	25%	0.252	C	S	.	.			trans	-134.4	87	-171.9	-75.6	-170.3	70.6	0	0	111.4	W59 M93 M107 C110 W115 L135	W59-M112 HydrophobicContact CH2-SD 3.95Å; W59-M112 HydrophobicContact CZ2-CG 4.08Å; W59-M112 HydrophobicContact CZ2-SD 3.28Å; W59-M112 WeakPolarHBondContact CZ2-SD 3.45Å; M93-M112 HydrophobicContact CE-CE 3.29Å; M93-M112 HydrophobicContact CE-SD 3.8Å; M93-M112 HydrophobicContact CG-CE 4.21Å; M93-M112 HydrophobicContact SD-CE 4.49Å; M107-M112 HydrophobicContact CE-SD 3.51Å; M107-M112 VanDerWaalsContact CE-SD 3.51Å; C110-M112 VanDerWaalsContact C-N 3.33Å; C110-M112 HydrophobicContact CB-CG 4.44Å; C110-M112 PolarHBondContact O-N 2.89Å; M112-W115 HydrophobicContact CE-CD2 3.88Å; M112-W115 HydrophobicContact CE-CE3 4.4Å; M112-W115 HydrophobicContact CE-CG 4.21Å; M112-W115 HydrophobicContact CE-CZ2 4.01Å; M112-W115 PolarHBondContact O-NE1 3.02Å; M112-W115 HydrophobicContact SD-CZ2 4.04Å; M112-L135 WeakPolarHBondContact O-CD2 3.38Å
113	D	69.1	Low	87	Confident	117 Å²	117	53.2 Å²	53.2	63%	0.626	25%	0.253	S	S	*	.	S	Bend	trans	-78.5	-25.8	177	-73.7	-19.5	0	0	0	112.9
114	K	75.1	Confident	87	Confident	142 Å²	142	53.4 Å²	53.4	62%	0.617	26%	0.256	S	S	*	.			trans	-124.8	124.3	-175.3	-75.3	177.4	-175.3	174.4	0	110.9	D90	D90-K114 WeakPolarHBondContact OD1-CB 3.05Å; D90-K114 VanDerWaalsContact OD2-CD 3.25Å; D90-K114 WeakPolarHBondContact OD2-CD 3.44Å; D90-K114 IonicContact OD2-NZ 2.66Å
115	W	81.6	Confident	87	Confident	32 Å²	32	50 Å²	50	12%	0.121	24%	0.241	C	C	.	.			trans	-113.3	130.5	178	-71.9	59.9	0	0	0	109.4	M107 M112 V119 F120 I130 P139 P142	M107-W115 HydrophobicContact CE-CH2 3.6Å; M107-W115 HydrophobicContact CE-CZ2 3.63Å; M107-W115 HydrophobicContact SD-CH2 3.63Å; M107-W115 HydrophobicContact SD-CZ2 4.23Å; M112-W115 HydrophobicContact CE-CD2 3.88Å; M112-W115 HydrophobicContact CE-CE3 4.4Å; M112-W115 HydrophobicContact CE-CG 4.21Å; M112-W115 HydrophobicContact CE-CZ2 4.01Å; M112-W115 PolarHBondContact O-NE1 3.02Å; M112-W115 HydrophobicContact SD-CZ2 4.04Å; W115-V119 HydrophobicContact CE3-CB 4.3Å; W115-V119 HydrophobicContact CE3-CG1 3.82Å; W115-V119 HydrophobicContact CE3-CG2 4.24Å; W115-V119 HydrophobicContact CZ3-CG1 3.84Å; W115-F120 HydrophobicContact CE3-CE2 4.22Å; W115-F120 AromaticContact CZ3-CE2 3.69Å; W115-F120 HydrophobicContact CZ3-CE2 3.69Å; W115-F120 AromaticContact CZ3-CZ 3.89Å; W115-F120 HydrophobicContact CZ3-CZ 3.89Å; W115-I130 HydrophobicContact CH2-CD1 3.95Å; W115-I130 HydrophobicContact CZ2-CD1 3.74Å; W115-P139 HydrophobicContact CB-CB 3.82Å; W115-P139 HydrophobicContact CD2-CB 3.83Å; W115-P139 HydrophobicContact CD2-CG 3.94Å; W115-P139 HydrophobicContact CE3-CG 4.49Å; W115-P139 HydrophobicContact CG-CB 3.47Å; W115-P139 VanDerWaalsContact CG-CB 3.47Å; W115-P139 HydrophobicContact CG-CG 4.09Å; W115-P139 HydrophobicContact CZ2-CG 4.46Å; W115-P142 HydrophobicContact CB-CG 3.46Å; W115-P142 VanDerWaalsContact CB-CG 3.46Å; W115-P142 HydrophobicContact CE3-CG 4.49Å; W115-P142 HydrophobicContact CG-CG 4.4Å
116	R	83.2	Confident	86.9	Confident	102 Å²	102	53.5 Å²	53.5	39%	0.385	25%	0.254	S	S	.	.			trans	-68.3	148	172.1	-58.8	-174.2	68.3	93.4	-0.6	110.6	D90 D118 V119 P142	D90-R116 VanDerWaalsContact O-CD 3.27Å; D90-R116 WeakPolarHBondContact O-CD 3.38Å; D90-R116 WeakPolarHBondContact O-CG 3.33Å; D90-R116 PolarHBondContact O-NH1 2.93Å; R116-D118 VanDerWaalsContact CB-OD1 3.26Å; R116-D118 WeakPolarHBondContact CB-OD1 3.43Å; R116-D118 IonicContact NE-OD1 3.62Å; R116-D118 PolarHBondContact NE-OD1 3.4Å; R116-D118 VanDerWaalsContact NE-OD1 3.1Å; R116-D118 PolarHBondContact O-N 3.12Å; R116-D118 VanDerWaalsContact O-N 3.13Å; R116-V119 HydrophobicContact CB-CG2 4Å; R116-V119 WeakPolarHBondContact O-CG2 3.42Å; R116-V119 PolarHBondContact O-N 3.07Å; R116-P142 WeakPolarHBondContact O-CB 3.3Å; R116-P142 WeakPolarHBondContact O-CG 3.33Å
117	K	84.6	Confident	86.9	Confident	163 Å²	163	52.3 Å²	52.3	71%	0.709	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.1	176.8	69.1	178	-177.4	176.4	0	113.8	N145	K117-N145 PolarHBondContact O-ND2 3Å
118	D	87.1	Confident	87	Confident	32 Å²	32	52.3 Å²	52.3	17%	0.171	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	20.4	-176.2	65.6	-32.8	0	0	0	113	R94 G95 R116 F120 V121	R94-D118 WeakPolarHBondContact CG-OD2 3.45Å; R94-D118 IonicContact NE-OD2 3.45Å; G95-D118 WeakPolarHBondContact CA-O 3.49Å; G95-D118 PolarHBondContact N-O 2.88Å; R116-D118 VanDerWaalsContact CB-OD1 3.26Å; R116-D118 WeakPolarHBondContact CB-OD1 3.43Å; R116-D118 IonicContact NE-OD1 3.62Å; R116-D118 PolarHBondContact NE-OD1 3.4Å; R116-D118 VanDerWaalsContact NE-OD1 3.1Å; R116-D118 PolarHBondContact O-N 3.12Å; R116-D118 VanDerWaalsContact O-N 3.13Å; D118-F120 VanDerWaalsContact C-N 3.25Å; D118-F120 PolarHBondContact O-N 2.97Å; D118-V121 HydrophobicContact CB-CG2 4.14Å; D118-V121 WeakPolarHBondContact O-CG2 3.18Å
119	V	89.5	Confident	87.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-57.6	-41.7	173.8	165.4	0	0	0	0	111.2	M93 I96 F97 W115 R116 P142	M93-V119 HydrophobicContact CB-CG2 4.19Å; I96-V119 HydrophobicContact CG2-CG1 3.99Å; F97-V119 HydrophobicContact CD2-CG1 3.63Å; F97-V119 HydrophobicContact CE2-CG1 4.01Å; F97-V119 PolarHBondContact N-O 2.98Å; W115-V119 HydrophobicContact CE3-CB 4.3Å; W115-V119 HydrophobicContact CE3-CG1 3.82Å; W115-V119 HydrophobicContact CE3-CG2 4.24Å; W115-V119 HydrophobicContact CZ3-CG1 3.84Å; R116-V119 HydrophobicContact CB-CG2 4Å; R116-V119 WeakPolarHBondContact O-CG2 3.42Å; R116-V119 PolarHBondContact O-N 3.07Å; V119-P142 HydrophobicContact CB-CB 4.38Å
120	F	91.8	Very high	87.5	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.009	23%	0.225	C	C	.	.	S	Bend	trans	-108	126.9	173.8	-58	-76.1	0	0	0	109.5	F97 L105 W115 D118 T123 V125 P142 L143 N145 V146	F97-F120 HydrophobicContact CB-CD1 3.65Å; F97-F120 HydrophobicContact CB-CE1 3.8Å; F97-F120 AromaticContact CD2-CD1 3.87Å; F97-F120 HydrophobicContact CD2-CD1 3.87Å; F97-F120 AromaticContact CD2-CE1 3.3Å; F97-F120 HydrophobicContact CD2-CE1 3.3Å; F97-F120 AromaticContact CD2-CZ 3.75Å; F97-F120 HydrophobicContact CD2-CZ 3.75Å; F97-F120 HydrophobicContact CE2-CE1 4.08Å; F97-F120 HydrophobicContact CE2-CZ 4.14Å; F97-F120 HydrophobicContact CG-CD1 4.1Å; F97-F120 AromaticContact CG-CE1 3.74Å; F97-F120 HydrophobicContact CG-CE1 3.74Å; L105-F120 HydrophobicContact CD2-CE1 4.04Å; L105-F120 HydrophobicContact CD2-CZ 4.2Å; W115-F120 HydrophobicContact CE3-CE2 4.22Å; W115-F120 AromaticContact CZ3-CE2 3.69Å; W115-F120 HydrophobicContact CZ3-CE2 3.69Å; W115-F120 AromaticContact CZ3-CZ 3.89Å; W115-F120 HydrophobicContact CZ3-CZ 3.89Å; D118-F120 VanDerWaalsContact C-N 3.25Å; D118-F120 PolarHBondContact O-N 2.97Å; F120-T123 HydrophobicContact CD1-CG2 3.96Å; F120-V125 HydrophobicContact CE1-CG2 4.33Å; F120-P142 HydrophobicContact CD2-CB 4.19Å; F120-L143 HydrophobicContact CE2-CD2 3.88Å; F120-N145 HydrophobicContact CB-CB 4.22Å; F120-N145 PolarHBondContact O-ND2 3.19Å; F120-V146 HydrophobicContact CB-CG2 3.44Å; F120-V146 VanDerWaalsContact CB-CG2 3.44Å; F120-V146 HydrophobicContact CD1-CG2 3.75Å; F120-V146 HydrophobicContact CD2-CG2 3.96Å; F120-V146 HydrophobicContact CE1-CG2 4.49Å; F120-V146 HydrophobicContact CG-CG2 3.44Å; F120-V146 VanDerWaalsContact CG-CG2 3.44Å
121	V	91	Very high	87.9	Confident	37 Å²	37	48 Å²	48	22%	0.224	23%	0.233	C	C	.	.	S	Bend	trans	-143.8	116.7	176.9	178.3	0	0	0	0	108.1	R98 H99 D118 T123	R98-V121 WeakPolarHBondContact CA-O 3.33Å; R98-V121 HydrophobicContact CB-CB 4.24Å; R98-V121 HydrophobicContact CG-CB 3.96Å; R98-V121 HydrophobicContact CG-CG1 4.34Å; H99-V121 PolarHBondContact N-O 2.94Å; D118-V121 HydrophobicContact CB-CG2 4.14Å; D118-V121 WeakPolarHBondContact O-CG2 3.18Å; V121-T123 PolarHBondContact N-OG1 2.94Å; V121-T123 PolarHBondContact O-N 3.19Å; V121-T123 PolarHBondContact O-OG1 3.32Å
122	N	91.2	Very high	88.8	Confident	106 Å²	106	45.8 Å²	45.8	57%	0.567	22%	0.224	S	C	*	.	S	Bend	trans	47.5	54	-174.4	-174.4	30.3	0	0	0	110.4	H99	H99-N122 WeakPolarHBondContact CA-O 3.12Å; H99-N122 PolarHBondContact CD2-ND2 3.31Å; H99-N122 PolarHBondContact N-O 2.79Å
123	T	93.2	Very high	89.6	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.043	22%	0.222	C	C	.	.			trans	-123.6	136.5	-174.7	-51.3	0	0	0	0	107.8	F97 L100 F120 V121 V125	F97-T123 HydrophobicContact CB-CG2 4.17Å; F97-T123 WeakPolarHBondContact O-CB 3.39Å; F97-T123 WeakPolarHBondContact O-CG2 3.31Å; F97-T123 PolarHBondContact O-OG1 2.91Å; L100-T123 HydrophobicContact CB-CG2 4.13Å; L100-T123 CarbonylContact O-C 3.02Å; L100-T123 VanDerWaalsContact O-CA 3.31Å; L100-T123 WeakPolarHBondContact O-CA 3.24Å; L100-T123 WeakPolarHBondContact O-CG2 2.78Å; F120-T123 HydrophobicContact CD1-CG2 3.96Å; V121-T123 PolarHBondContact N-OG1 2.94Å; V121-T123 PolarHBondContact O-N 3.19Å; V121-T123 PolarHBondContact O-OG1 3.32Å; T123-V125 HydrophobicContact CG2-CG2 4.18Å
124	T	92.9	Very high	90.6	Very high	30 Å²	30	46.8 Å²	46.8	18%	0.184	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.9	171.2	62.2	0	0	0	0	109.5	L100 H101 V102 T148	L100-T124 PolarHBondContact O-N 3.32Å; H101-T124 WeakPolarHBondContact CA-OG1 3.27Å; H101-T124 PolarHBondContact ND1-OG1 3.01Å; V102-T124 PolarHBondContact N-O 3.12Å; T124-T148 HydrophobicContact CG2-CG2 4.07Å
125	V	94.4	Very high	91.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.1	171.7	-175.1	0	0	0	0	107.3	V102 L105 F120 T123 S127 L128 V146 T148 I149	V102-V125 HydrophobicContact CB-CG2 4.42Å; V102-V125 VanDerWaalsContact O-CA 3.28Å; V102-V125 WeakPolarHBondContact O-CA 3.29Å; L105-V125 HydrophobicContact CB-CG1 3.84Å; L105-V125 HydrophobicContact CD2-CG2 4.44Å; F120-V125 HydrophobicContact CE1-CG2 4.33Å; T123-V125 HydrophobicContact CG2-CG2 4.18Å; V125-S127 WeakPolarHBondContact CG1-O 3.49Å; V125-L128 HydrophobicContact CG1-CB 4.3Å; V125-V146 HydrophobicContact CB-CG1 3.81Å; V125-V146 HydrophobicContact CG2-CG1 4.03Å; V125-V146 VanDerWaalsContact N-CG1 3.33Å; V125-T148 PolarHBondContact N-OG1 3.49Å; V125-T148 VanDerWaalsContact N-OG1 3.13Å; V125-T148 CarbonylContact O-C 3.21Å; V125-T148 PolarHBondContact O-OG1 3.2Å; V125-I149 HydrophobicContact CB-CG1 4.44Å; V125-I149 WeakPolarHBondContact O-CA 3.34Å; V125-I149 WeakPolarHBondContact O-CG1 3.38Å; V125-I149 PolarHBondContact O-N 2.8Å
126	Y	94.6	Very high	91.8	Very high	75 Å²	75	45 Å²	45	29%	0.294	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-43.7	177.5	-67.1	-85.9	0	0	0	112.1	V102 E103 Q150 E151	V102-Y126 PolarHBondContact O-N 2.78Å; E103-Y126 WeakPolarHBondContact O-CB 3.24Å; E103-Y126 PolarHBondContact O-N 2.92Å; Y126-Q150 PolarHBondContact O-N 3.33Å; Y126-E151 PolarHBondContact O-N 3.02Å
127	S	96.7	Very high	92.2	Very high	23 Å²	23	50.1 Å²	50.1	16%	0.161	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.6	176.8	-170.5	0	0	0	0	110.4	E103 Q104 L105 V125 E151	E103-S127 PolarHBondContact O-N 3.25Å; Q104-S127 CarbonylContact C-O 3.36Å; Q104-S127 WeakPolarHBondContact CA-O 3.43Å; L105-S127 PolarHBondContact N-O 3.2Å; V125-S127 WeakPolarHBondContact CG1-O 3.49Å; S127-E151 CarbonylContact C-O 3.19Å; S127-E151 WeakPolarHBondContact CA-O 3.38Å; S127-E151 WeakPolarHBondContact CB-OE2 3.41Å; S127-E151 WeakPolarHBondContact OG-CB 3.43Å; S127-E151 PolarHBondContact OG-OE2 3.24Å
128	L	96.1	Very high	92.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.9	179	174.7	67.2	0	0	0	109.9	L105 V125 I130 L143 I149 E151 A152 S153	L105-L128 HydrophobicContact CB-CD1 4.24Å; L105-L128 HydrophobicContact CD2-CD1 3.86Å; L105-L128 HydrophobicContact CG-CD1 3.94Å; V125-L128 HydrophobicContact CG1-CB 4.3Å; L128-I130 HydrophobicContact CD1-CD1 4.44Å; L128-I130 HydrophobicContact CD1-CG1 4.15Å; L128-I130 HydrophobicContact CD2-CD1 4.47Å; L128-I130 HydrophobicContact CG-CG1 4.35Å; L128-L143 HydrophobicContact CD2-CD1 4.23Å; L128-L143 HydrophobicContact CD2-CD2 3.41Å; L128-L143 VanDerWaalsContact CD2-CD2 3.41Å; L128-L143 HydrophobicContact CD2-CG 4.48Å; L128-I149 HydrophobicContact CD2-CD1 4.16Å; L128-E151 PolarHBondContact N-O 3.48Å; L128-A152 CarbonylContact O-C 3.09Å; L128-A152 VanDerWaalsContact O-CA 3.3Å; L128-A152 WeakPolarHBondContact O-CA 3.27Å; L128-S153 PolarHBondContact O-N 2.66Å
129	S	96.7	Very high	92.8	Very high	20 Å²	20	42.1 Å²	42.1	14%	0.14	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.6	174.3	-170.9	0	0	0	0	110.9	L105 I106 M107 V131 S153	L105-S129 PolarHBondContact O-N 2.81Å; I106-S129 CarbonylContact C-O 3.59Å; I106-S129 WeakPolarHBondContact CA-O 3.33Å; M107-S129 PolarHBondContact N-O 3Å; S129-V131 VanDerWaalsContact OG-CG2 3.26Å; S129-V131 WeakPolarHBondContact OG-CG2 3.25Å; S129-S153 CarbonylContact C-O 3.18Å; S129-S153 WeakPolarHBondContact CA-O 3.35Å
130	I	94.5	Very high	92.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	101.9	174.1	-52.6	176.9	0	0	0	109	M107 W115 L128 L135 S153 F154 N157	M107-I130 HydrophobicContact CB-CG1 4.43Å; M107-I130 CarbonylContact O-C 3.55Å; M107-I130 VanDerWaalsContact O-CA 3.29Å; M107-I130 WeakPolarHBondContact O-CA 3.49Å; W115-I130 HydrophobicContact CH2-CD1 3.95Å; W115-I130 HydrophobicContact CZ2-CD1 3.74Å; L128-I130 HydrophobicContact CD1-CD1 4.44Å; L128-I130 HydrophobicContact CD1-CG1 4.15Å; L128-I130 HydrophobicContact CD2-CD1 4.47Å; L128-I130 HydrophobicContact CG-CG1 4.35Å; I130-L135 HydrophobicContact CB-CD1 4.22Å; I130-L135 HydrophobicContact CD1-CD1 4.34Å; I130-L135 HydrophobicContact CG2-CD1 3.7Å; I130-L135 HydrophobicContact CG2-CG 4.43Å; I130-S153 PolarHBondContact N-O 2.88Å; I130-F154 HydrophobicContact CB-CD1 4.3Å; I130-F154 HydrophobicContact CD1-CE1 4.13Å; I130-F154 CarbonylContact O-C 3.56Å; I130-F154 WeakPolarHBondContact O-CA 3.36Å; I130-N157 PolarHBondContact O-ND2 2.63Å
131	V	94.6	Very high	92.6	Very high	29 Å²	29	53.1 Å²	53.1	18%	0.176	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.3	-169.9	-174.3	0	0	0	0	110.7	M107 K108 N109 S129 S133 V155	M107-V131 PolarHBondContact O-N 3.31Å; K108-V131 WeakPolarHBondContact CA-O 3.43Å; K108-V131 HydrophobicContact CG-CB 4.32Å; N109-V131 PolarHBondContact N-O 3.25Å; S129-V131 VanDerWaalsContact OG-CG2 3.26Å; S129-V131 WeakPolarHBondContact OG-CG2 3.25Å; V131-S133 PolarHBondContact O-N 3.42Å; V131-S133 PolarHBondContact O-OG 3.49Å; V131-V155 WeakPolarHBondContact CA-O 3.49Å; V131-V155 HydrophobicContact CG1-CB 4.38Å; V131-V155 HydrophobicContact CG2-CB 4.47Å
132	S	93.3	Very high	92.5	Very high	30 Å²	30	51.6 Å²	51.6	21%	0.21	23%	0.233	C	C	.	.	S	Bend	trans	55	30.1	171.5	-63.7	0	0	0	0	114.9	N109 V155 N156	N109-S132 WeakPolarHBondContact CA-O 3.45Å; S132-V155 PolarHBondContact N-O 3.13Å; S132-V155 VanDerWaalsContact N-O 3.09Å; S132-N156 VanDerWaalsContact CA-O 3.22Å; S132-N156 WeakPolarHBondContact CA-O 3.26Å; S132-N156 PolarHBondContact N-O 3.26Å; S132-N156 PolarHBondContact OG-ND2 2.8Å
133	S	90.1	Very high	92.6	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.007	21%	0.206	C	C	.	.	S	Bend	trans	-101.9	14.1	-172.8	-63.8	0	0	0	0	113	C110 V131 L135 N157	C110-S133 PolarHBondContact N-OG 3.12Å; C110-S133 VanDerWaalsContact O-CB 3.27Å; C110-S133 WeakPolarHBondContact O-CB 3.41Å; C110-S133 PolarHBondContact O-OG 3.03Å; V131-S133 PolarHBondContact O-N 3.42Å; V131-S133 PolarHBondContact O-OG 3.49Å; S133-L135 PolarHBondContact O-N 2.79Å; S133-L135 VanDerWaalsContact O-N 3.15Å; S133-N157 PolarHBondContact N-OD1 2.98Å
134	R	90.2	Very high	92.4	Very high	146 Å²	146	48.6 Å²	48.6	55%	0.551	22%	0.218	S	C	*	.			trans	57	23.9	178	-53.6	-177	-175.5	-178.3	-0.3	114.5	L111 K136 N157	L111-R134 HydrophobicContact CD2-CG 4.15Å; R134-K136 PolarHBondContact O-N 2.82Å; R134-N157 PolarHBondContact N-OD1 2.7Å; R134-N157 VanDerWaalsContact N-OD1 3.16Å
135	L	90.8	Very high	92.3	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	23%	0.229	C	C	.	.			trans	-62.3	122.3	-176.7	-66.2	178.3	0	0	0	111.4	M112 I130 S133 F154 N157 Q158 L159	M112-L135 WeakPolarHBondContact O-CD2 3.38Å; I130-L135 HydrophobicContact CB-CD1 4.22Å; I130-L135 HydrophobicContact CD1-CD1 4.34Å; I130-L135 HydrophobicContact CG2-CD1 3.7Å; I130-L135 HydrophobicContact CG2-CG 4.43Å; S133-L135 PolarHBondContact O-N 2.79Å; S133-L135 VanDerWaalsContact O-N 3.15Å; L135-F154 HydrophobicContact CD1-CD1 4.15Å; L135-N157 HydrophobicContact CB-CB 4.05Å; L135-N157 PolarHBondContact N-OD1 3.29Å; L135-Q158 CarbonylContact O-C 2.88Å; L135-Q158 WeakPolarHBondContact O-CA 3.5Å; L135-Q158 PolarHBondContact O-N 2.89Å; L135-L159 PolarHBondContact O-N 3.02Å
136	K	92.2	Very high	92.1	Very high	133 Å²	133	50.7 Å²	50.7	58%	0.578	23%	0.228	S	C	*	.	S	Bend	trans	-85.3	-21.2	171.1	-63.7	-179.5	-178	176.1	0	112.8	R134 Q158	R134-K136 PolarHBondContact O-N 2.82Å; K136-Q158 HydrophobicContact CG-CB 4.32Å
137	R	91.6	Very high	91.8	Very high	209 Å²	209	55.9 Å²	55.9	79%	0.789	25%	0.247	S	C	*	.	S	Bend	trans	-146.6	150.6	178.8	-61.9	-177	-179.9	-174.7	-0.4	109.5
138	I	93	Very high	91.6	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.051	25%	0.251	C	S	.	.			trans	-69	135.4	170.9	-60.1	175.7	0	0	0	108.9	T140 L143 F154 L159 L162 L167 F169 F179	I138-T140 PolarHBondContact O-N 2.79Å; I138-T140 PolarHBondContact O-OG1 2.87Å; I138-L143 HydrophobicContact CG2-CD1 3.79Å; I138-F154 HydrophobicContact CD1-CD2 4.29Å; I138-F154 HydrophobicContact CD1-CE2 4.02Å; I138-F154 HydrophobicContact CD1-CZ 4.33Å; I138-F154 HydrophobicContact CG1-CE1 4.38Å; I138-F154 HydrophobicContact CG1-CE2 4.34Å; I138-F154 HydrophobicContact CG1-CZ 4.28Å; I138-F154 HydrophobicContact CG2-CE1 4.02Å; I138-F154 HydrophobicContact CG2-CE2 4.43Å; I138-F154 HydrophobicContact CG2-CZ 3.74Å; I138-L159 HydrophobicContact CG1-CD1 4.23Å; I138-L159 HydrophobicContact CG1-CD2 4.25Å; I138-L162 HydrophobicContact CD1-CD1 4.31Å; I138-L162 HydrophobicContact CD1-CD2 3.74Å; I138-L162 HydrophobicContact CG1-CD2 4.03Å; I138-L167 HydrophobicContact CD1-CD2 3.81Å; I138-F169 HydrophobicContact CG2-CE1 3.95Å; I138-F179 HydrophobicContact CD1-CE1 3.76Å; I138-F179 HydrophobicContact CD1-CZ 4.05Å
139	P	89.6	Confident	91.5	Very high	17 Å²	17	56.7 Å²	56.7	11%	0.11	25%	0.251	C	S	.	.			trans	-75.2	63.9	177.2	32.2	-36.4	0	0	0	111.8	W115 R141 P142 L143	W115-P139 HydrophobicContact CB-CB 3.82Å; W115-P139 HydrophobicContact CD2-CB 3.83Å; W115-P139 HydrophobicContact CD2-CG 3.94Å; W115-P139 HydrophobicContact CE3-CG 4.49Å; W115-P139 HydrophobicContact CG-CB 3.47Å; W115-P139 VanDerWaalsContact CG-CB 3.47Å; W115-P139 HydrophobicContact CG-CG 4.09Å; W115-P139 HydrophobicContact CZ2-CG 4.46Å; P139-R141 PolarHBondContact O-N 3.41Å; P139-P142 HydrophobicContact CB-CG 4.26Å; P139-P142 WeakPolarHBondContact O-CD 3.34Å; P139-L143 HydrophobicContact CG-CD1 4.14Å; P139-L143 HydrophobicContact CG-CG 4.41Å; P139-L143 WeakPolarHBondContact O-CG 3.31Å; P139-L143 PolarHBondContact O-N 3.24Å
140	T	90.1	Very high	91.5	Very high	26 Å²	26	58.1 Å²	58.1	16%	0.16	26%	0.256	C	S	.	.	H	α-helix	trans	-56	-45.5	-169.1	-55.9	0	0	0	0	114.1	I138 L143 T144 R165 S166 I168	I138-T140 PolarHBondContact O-N 2.79Å; I138-T140 PolarHBondContact O-OG1 2.87Å; T140-L143 PolarHBondContact O-N 2.95Å; T140-T144 PolarHBondContact O-N 3.07Å; T140-T144 VanDerWaalsContact O-N 3.13Å; T140-R165 WeakPolarHBondContact CG2-O 3.32Å; T140-S166 WeakPolarHBondContact OG1-CA 3.34Å; T140-S166 PolarHBondContact OG1-O 2.99Å; T140-S166 VanDerWaalsContact OG1-O 3.06Å; T140-I168 HydrophobicContact CG2-CG2 3.5Å; T140-I168 VanDerWaalsContact CG2-CG2 3.5Å
141	R	88.6	Confident	91.6	Very high	208 Å²	208	59.9 Å²	59.9	79%	0.785	26%	0.264	S	S	*	.	H	α-helix	trans	-61.7	-46.7	-174.6	-72.4	-178.4	179.6	-178.3	-0.9	113.6	P139 L143 T144	P139-R141 PolarHBondContact O-N 3.41Å; R141-L143 VanDerWaalsContact C-N 3.33Å; R141-T144 PolarHBondContact O-OG1 3.12Å
142	P	89.2	Confident	91.7	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.032	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-37.9	172.5	-7.1	3.2	0	0	0	113.2	W115 R116 V119 F120 P139 T144 N145	W115-P142 HydrophobicContact CB-CG 3.46Å; W115-P142 VanDerWaalsContact CB-CG 3.46Å; W115-P142 HydrophobicContact CE3-CG 4.49Å; W115-P142 HydrophobicContact CG-CG 4.4Å; R116-P142 WeakPolarHBondContact O-CB 3.3Å; R116-P142 WeakPolarHBondContact O-CG 3.33Å; V119-P142 HydrophobicContact CB-CB 4.38Å; F120-P142 HydrophobicContact CD2-CB 4.19Å; P139-P142 HydrophobicContact CB-CG 4.26Å; P139-P142 WeakPolarHBondContact O-CD 3.34Å; P142-T144 VanDerWaalsContact C-N 3.27Å; P142-T144 PolarHBondContact O-N 3.11Å; P142-N145 WeakPolarHBondContact O-CB 3.42Å; P142-N145 PolarHBondContact O-N 3.33Å; P142-N145 VanDerWaalsContact O-N 3.17Å
143	L	92.2	Very high	91.9	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-25.3	-176.9	-65.9	177.7	0	0	0	113.2	F120 L128 I138 P139 T140 R141 N145 V146 I149 F154 F169	F120-L143 HydrophobicContact CE2-CD2 3.88Å; L128-L143 HydrophobicContact CD2-CD1 4.23Å; L128-L143 HydrophobicContact CD2-CD2 3.41Å; L128-L143 VanDerWaalsContact CD2-CD2 3.41Å; L128-L143 HydrophobicContact CD2-CG 4.48Å; I138-L143 HydrophobicContact CG2-CD1 3.79Å; P139-L143 HydrophobicContact CG-CD1 4.14Å; P139-L143 HydrophobicContact CG-CG 4.41Å; P139-L143 WeakPolarHBondContact O-CG 3.31Å; P139-L143 PolarHBondContact O-N 3.24Å; T140-L143 PolarHBondContact O-N 2.95Å; R141-L143 VanDerWaalsContact C-N 3.33Å; L143-N145 PolarHBondContact O-N 2.75Å; L143-N145 VanDerWaalsContact O-N 3.09Å; L143-V146 PolarHBondContact O-N 3.08Å; L143-I149 HydrophobicContact CD2-CD1 4.16Å; L143-F154 HydrophobicContact CD1-CZ 4.32Å; L143-F169 HydrophobicContact CB-CB 3.65Å; L143-F169 HydrophobicContact CB-CD1 3.93Å; L143-F169 HydrophobicContact CB-CD2 4.41Å; L143-F169 HydrophobicContact CB-CG 3.75Å; L143-F169 HydrophobicContact CD1-CD1 3.96Å; L143-F169 HydrophobicContact CD1-CE1 3.97Å; L143-F169 HydrophobicContact CD1-CG 4.31Å; L143-F169 HydrophobicContact CD1-CZ 4.32Å; L143-F169 WeakPolarHBondContact O-CB 3.07Å
144	T	89.9	Confident	92.2	Very high	49 Å²	49	57.9 Å²	57.9	30%	0.301	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.5	174.4	50.9	0	0	0	0	114.4	T140 R141 P142 I168	T140-T144 PolarHBondContact O-N 3.07Å; T140-T144 VanDerWaalsContact O-N 3.13Å; R141-T144 PolarHBondContact O-OG1 3.12Å; P142-T144 VanDerWaalsContact C-N 3.27Å; P142-T144 PolarHBondContact O-N 3.11Å; T144-I168 HydrophobicContact CG2-CG2 3.42Å; T144-I168 VanDerWaalsContact CG2-CG2 3.42Å
145	N	89.5	Confident	92.5	Very high	75 Å²	75	52.1 Å²	52.1	40%	0.401	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.9	174.6	-61.4	-10.5	0	0	0	112.7	K117 F120 P142 L143	K117-N145 PolarHBondContact O-ND2 3Å; F120-N145 HydrophobicContact CB-CB 4.22Å; F120-N145 PolarHBondContact O-ND2 3.19Å; P142-N145 WeakPolarHBondContact O-CB 3.42Å; P142-N145 PolarHBondContact O-N 3.33Å; P142-N145 VanDerWaalsContact O-N 3.17Å; L143-N145 PolarHBondContact O-N 2.75Å; L143-N145 VanDerWaalsContact O-N 3.09Å
146	V	91.6	Very high	92.8	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	25%	0.252	C	S	.	.			trans	-122.8	82.3	-179.1	-166.8	0	0	0	0	109.1	F120 V125 L143 T148 I149	F120-V146 HydrophobicContact CB-CG2 3.44Å; F120-V146 VanDerWaalsContact CB-CG2 3.44Å; F120-V146 HydrophobicContact CD1-CG2 3.75Å; F120-V146 HydrophobicContact CD2-CG2 3.96Å; F120-V146 HydrophobicContact CE1-CG2 4.49Å; F120-V146 HydrophobicContact CG-CG2 3.44Å; F120-V146 VanDerWaalsContact CG-CG2 3.44Å; V125-V146 HydrophobicContact CB-CG1 3.81Å; V125-V146 HydrophobicContact CG2-CG1 4.03Å; V125-V146 VanDerWaalsContact N-CG1 3.33Å; L143-V146 PolarHBondContact O-N 3.08Å; V146-T148 PolarHBondContact O-N 3.26Å; V146-I149 HydrophobicContact CB-CD1 4.07Å; V146-I149 HydrophobicContact CB-CG1 4.23Å; V146-I149 HydrophobicContact CG1-CD1 4.21Å; V146-I149 HydrophobicContact CG1-CG1 3.87Å
147	R	86.6	Confident	92.9	Very high	184 Å²	184	50 Å²	50	69%	0.694	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-4.3	-177.4	-60	-172.7	-174.8	-176.4	1.8	114	I149	R147-I149 VanDerWaalsContact C-N 3.33Å
148	T	92.2	Very high	93.1	Very high	40 Å²	40	43.7 Å²	43.7	25%	0.245	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	0.6	-179.6	60.7	0	0	0	0	113.6	T124 V125 V146 Q150	T124-T148 HydrophobicContact CG2-CG2 4.07Å; V125-T148 PolarHBondContact N-OG1 3.49Å; V125-T148 VanDerWaalsContact N-OG1 3.13Å; V125-T148 CarbonylContact O-C 3.21Å; V125-T148 PolarHBondContact O-OG1 3.2Å; V146-T148 PolarHBondContact O-N 3.26Å; T148-Q150 PolarHBondContact O-N 2.95Å
149	I	94.9	Very high	93.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	20%	0.204	C	C	.	.			trans	-67.2	117.2	-178.2	-63	171.4	0	0	0	109.5	V125 L128 L143 V146 R147 E151 A152 F169 L174	V125-I149 HydrophobicContact CB-CG1 4.44Å; V125-I149 WeakPolarHBondContact O-CA 3.34Å; V125-I149 WeakPolarHBondContact O-CG1 3.38Å; V125-I149 PolarHBondContact O-N 2.8Å; L128-I149 HydrophobicContact CD2-CD1 4.16Å; L143-I149 HydrophobicContact CD2-CD1 4.16Å; V146-I149 HydrophobicContact CB-CD1 4.07Å; V146-I149 HydrophobicContact CB-CG1 4.23Å; V146-I149 HydrophobicContact CG1-CD1 4.21Å; V146-I149 HydrophobicContact CG1-CG1 3.87Å; R147-I149 VanDerWaalsContact C-N 3.33Å; I149-E151 WeakPolarHBondContact CG2-O 3.31Å; I149-A152 HydrophobicContact CG2-CB 4.18Å; I149-F169 HydrophobicContact CB-CD2 4.45Å; I149-F169 HydrophobicContact CD1-CD2 4.01Å; I149-F169 HydrophobicContact CG2-CD2 4.41Å; I149-F169 HydrophobicContact CG2-CE2 4.25Å; I149-L174 HydrophobicContact CG2-CD1 4Å
150	Q	95.8	Very high	93.6	Very high	50 Å²	50	45.6 Å²	45.6	23%	0.234	22%	0.219	C	C	.	.			trans	-103.3	-31.2	175.3	-69.2	178	-9.9	0	0	111.8	Y126 T148 E173 A175 L176	Y126-Q150 PolarHBondContact O-N 3.33Å; T148-Q150 PolarHBondContact O-N 2.95Å; Q150-E173 WeakPolarHBondContact CA-O 3.25Å; Q150-E173 HydrophobicContact CG-CB 4.03Å; Q150-E173 WeakPolarHBondContact CG-O 3.48Å; Q150-A175 PolarHBondContact O-N 2.64Å; Q150-L176 PolarHBondContact O-N 3.03Å
151	E	97.3	Very high	93.8	Very high	39 Å²	39	48.5 Å²	48.5	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.4	177.5	-52.4	-179.4	161.2	0	0	110.1	S9 Y126 S127 L128 I149 L176	S9-E151 VanDerWaalsContact CB-OE1 3.23Å; S9-E151 WeakPolarHBondContact CB-OE1 3.36Å; S9-E151 PolarHBondContact OG-OE1 3.2Å; Y126-E151 PolarHBondContact O-N 3.02Å; S127-E151 CarbonylContact C-O 3.19Å; S127-E151 WeakPolarHBondContact CA-O 3.38Å; S127-E151 WeakPolarHBondContact CB-OE2 3.41Å; S127-E151 WeakPolarHBondContact OG-CB 3.43Å; S127-E151 PolarHBondContact OG-OE2 3.24Å; L128-E151 PolarHBondContact N-O 3.48Å; I149-E151 WeakPolarHBondContact CG2-O 3.31Å; E151-L176 WeakPolarHBondContact CA-O 3.49Å; E151-L176 HydrophobicContact CB-CB 4.07Å; E151-L176 HydrophobicContact CB-CD2 4.43Å; E151-L176 HydrophobicContact CG-CB 3.94Å
152	A	96.7	Very high	94.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.2	176.4	0	0	0	0	0	111.3	L128 I149 F154 F169 L174 L176 L177 D178	L128-A152 CarbonylContact O-C 3.09Å; L128-A152 VanDerWaalsContact O-CA 3.3Å; L128-A152 WeakPolarHBondContact O-CA 3.27Å; I149-A152 HydrophobicContact CG2-CB 4.18Å; A152-F154 HydrophobicContact CB-CE2 3.95Å; A152-F154 HydrophobicContact CB-CZ 4.44Å; A152-F169 HydrophobicContact CB-CE2 3.98Å; A152-F169 HydrophobicContact CB-CZ 4.21Å; A152-L174 HydrophobicContact CB-CD1 3.82Å; A152-L176 PolarHBondContact N-O 3.19Å; A152-L177 HydrophobicContact CB-CD1 3.94Å; A152-L177 CarbonylContact O-C 3.13Å; A152-L177 VanDerWaalsContact O-CA 3.3Å; A152-L177 WeakPolarHBondContact O-CA 3.49Å; A152-D178 PolarHBondContact O-N 3.12Å
153	S	97.3	Very high	94.2	Very high	17 Å²	17	41 Å²	41	12%	0.119	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.1	-177.7	174.4	0	0	0	0	110.7	L128 S129 I130 V155	L128-S153 PolarHBondContact O-N 2.66Å; S129-S153 CarbonylContact C-O 3.18Å; S129-S153 WeakPolarHBondContact CA-O 3.35Å; I130-S153 PolarHBondContact N-O 2.88Å; S153-V155 VanDerWaalsContact OG-CG2 3.32Å; S153-V155 WeakPolarHBondContact OG-CG2 3.32Å
154	F	96.4	Very high	94.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.			trans	-128.1	41.5	-179.4	-57	-82.8	0	0	0	110.9	I130 L135 I138 L143 A152 N157 L159 F169 L177 D178 F179 N182	I130-F154 HydrophobicContact CB-CD1 4.3Å; I130-F154 HydrophobicContact CD1-CE1 4.13Å; I130-F154 CarbonylContact O-C 3.56Å; I130-F154 WeakPolarHBondContact O-CA 3.36Å; L135-F154 HydrophobicContact CD1-CD1 4.15Å; I138-F154 HydrophobicContact CD1-CD2 4.29Å; I138-F154 HydrophobicContact CD1-CE2 4.02Å; I138-F154 HydrophobicContact CD1-CZ 4.33Å; I138-F154 HydrophobicContact CG1-CE1 4.38Å; I138-F154 HydrophobicContact CG1-CE2 4.34Å; I138-F154 HydrophobicContact CG1-CZ 4.28Å; I138-F154 HydrophobicContact CG2-CE1 4.02Å; I138-F154 HydrophobicContact CG2-CE2 4.43Å; I138-F154 HydrophobicContact CG2-CZ 3.74Å; L143-F154 HydrophobicContact CD1-CZ 4.32Å; A152-F154 HydrophobicContact CB-CE2 3.95Å; A152-F154 HydrophobicContact CB-CZ 4.44Å; F154-N157 PolarHBondContact O-ND2 3.2Å; F154-L159 HydrophobicContact CB-CD1 3.95Å; F154-L159 HydrophobicContact CG-CD1 4.49Å; F154-F169 HydrophobicContact CE2-CZ 4.33Å; F154-F169 HydrophobicContact CZ-CZ 4.27Å; F154-L177 HydrophobicContact CD2-CD1 4.46Å; F154-L177 HydrophobicContact CE2-CD1 4.23Å; F154-D178 PolarHBondContact N-O 3.15Å; F154-F179 HydrophobicContact CB-CD1 4.18Å; F154-F179 HydrophobicContact CB-CE1 4.44Å; F154-F179 HydrophobicContact CD2-CD1 4.06Å; F154-F179 AromaticContact CD2-CE1 3.56Å; F154-F179 HydrophobicContact CD2-CE1 3.56Å; F154-F179 HydrophobicContact CE2-CE1 4.23Å; F154-F179 HydrophobicContact CG-CE1 4.33Å; F154-N182 PolarHBondContact O-ND2 2.94Å
155	V	97.4	Very high	94.2	Very high	25 Å²	25	51.4 Å²	51.4	15%	0.152	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	141.8	-172.8	177.1	0	0	0	0	112.2	V131 S132 S153 N157 D178 K180	V131-V155 WeakPolarHBondContact CA-O 3.49Å; V131-V155 HydrophobicContact CG1-CB 4.38Å; V131-V155 HydrophobicContact CG2-CB 4.47Å; S132-V155 PolarHBondContact N-O 3.13Å; S132-V155 VanDerWaalsContact N-O 3.09Å; S153-V155 VanDerWaalsContact OG-CG2 3.32Å; S153-V155 WeakPolarHBondContact OG-CG2 3.32Å; V155-N157 PolarHBondContact O-N 3.41Å; V155-N157 PolarHBondContact O-ND2 3.2Å; V155-D178 HydrophobicContact CG2-CB 4.41Å; V155-D178 VanDerWaalsContact CG2-CG 3.44Å; V155-D178 WeakPolarHBondContact CG2-OD2 3.41Å; V155-K180 VanDerWaalsContact CA-O 3.31Å; V155-K180 WeakPolarHBondContact CA-O 3.45Å; V155-K180 HydrophobicContact CG1-CB 4.38Å; V155-K180 HydrophobicContact CG2-CB 4.17Å
156	N	96.8	Very high	94.3	Very high	84 Å²	84	48.9 Å²	48.9	45%	0.449	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	45	174.4	-163.8	23.2	0	0	0	112.9	S132 K180 H181	S132-N156 VanDerWaalsContact CA-O 3.22Å; S132-N156 WeakPolarHBondContact CA-O 3.26Å; S132-N156 PolarHBondContact N-O 3.26Å; S132-N156 PolarHBondContact OG-ND2 2.8Å; N156-K180 PolarHBondContact N-O 3.03Å; N156-H181 WeakPolarHBondContact CA-O 3.41Å; N156-H181 HydrophobicContact CB-CB 4.23Å; N156-H181 PolarHBondContact N-O 3.34Å
157	N	95.2	Very high	94.4	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.043	25%	0.246	C	C	.	.	S	Bend	trans	-110.4	-165.1	173.6	-75	-70.3	0	0	0	110.4	I130 S133 R134 L135 F154 V155 L159 H181 N182	I130-N157 PolarHBondContact O-ND2 2.63Å; S133-N157 PolarHBondContact N-OD1 2.98Å; R134-N157 PolarHBondContact N-OD1 2.7Å; R134-N157 VanDerWaalsContact N-OD1 3.16Å; L135-N157 HydrophobicContact CB-CB 4.05Å; L135-N157 PolarHBondContact N-OD1 3.29Å; F154-N157 PolarHBondContact O-ND2 3.2Å; V155-N157 PolarHBondContact O-N 3.41Å; V155-N157 PolarHBondContact O-ND2 3.2Å; N157-L159 HydrophobicContact CB-CG 4.45Å; N157-H181 PolarHBondContact N-O 3.07Å; N157-N182 WeakPolarHBondContact CA-OD1 3.49Å; N157-N182 VanDerWaalsContact CB-OD1 3.28Å; N157-N182 WeakPolarHBondContact CB-OD1 3.47Å; N157-N182 PolarHBondContact N-OD1 3.47Å; N157-N182 PolarHBondContact O-OD1 3.16Å
158	Q	95.3	Very high	94.6	Very high	77 Å²	77	43.2 Å²	43.2	36%	0.36	23%	0.229	S	C	.	.			trans	-118.3	34.2	-175.9	-61.3	179.8	3.7	0	0	111.2	L135 K136 T160 N182 L183	L135-Q158 CarbonylContact O-C 2.88Å; L135-Q158 WeakPolarHBondContact O-CA 3.5Å; L135-Q158 PolarHBondContact O-N 2.89Å; K136-Q158 HydrophobicContact CG-CB 4.32Å; Q158-T160 PolarHBondContact O-N 3.39Å; Q158-N182 PolarHBondContact N-OD1 3.14Å; Q158-L183 HydrophobicContact CB-CD1 4.42Å
159	L	96.3	Very high	94.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.			trans	-71.4	120.5	179.6	-58.7	174.5	0	0	0	109.7	L135 I138 F154 N157 F179 N182 L183 L184	L135-L159 PolarHBondContact O-N 3.02Å; I138-L159 HydrophobicContact CG1-CD1 4.23Å; I138-L159 HydrophobicContact CG1-CD2 4.25Å; F154-L159 HydrophobicContact CB-CD1 3.95Å; F154-L159 HydrophobicContact CG-CD1 4.49Å; N157-L159 HydrophobicContact CB-CG 4.45Å; L159-F179 HydrophobicContact CD1-CD1 3.76Å; L159-F179 HydrophobicContact CD1-CE1 4.01Å; L159-N182 HydrophobicContact CB-CB 4.15Å; L159-N182 WeakPolarHBondContact CB-OD1 3.3Å; L159-N182 WeakPolarHBondContact CG-OD1 3.3Å; L159-N182 PolarHBondContact N-OD1 3.34Å; L159-L183 CarbonylContact O-C 3.49Å; L159-L183 VanDerWaalsContact O-CA 3.3Å; L159-L183 WeakPolarHBondContact O-CA 3.4Å; L159-L183 WeakPolarHBondContact O-CB 3.44Å; L159-L183 PolarHBondContact O-N 3.3Å; L159-L184 HydrophobicContact CB-CD2 4.32Å; L159-L184 PolarHBondContact O-N 2.76Å
160	T	96.4	Very high	93.9	Very high	68 Å²	68	41.7 Å²	41.7	42%	0.417	22%	0.22	S	C	.	.			trans	-102	-41.5	179.9	54	0	0	0	0	112.9	Q158 L183 L184	Q158-T160 PolarHBondContact O-N 3.39Å; T160-L183 WeakPolarHBondContact CA-O 3.41Å; T160-L183 HydrophobicContact CG2-CB 3.92Å; T160-L183 HydrophobicContact CG2-CD1 4.26Å; T160-L184 WeakPolarHBondContact O-CA 3.45Å
161	T	94.5	Very high	93.4	Very high	86 Å²	86	42.4 Å²	42.4	53%	0.528	23%	0.225	S	C	.	.			trans	-144.8	152.4	177.4	58.3	0	0	0	0	109.8
162	L	95.2	Very high	92.7	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.084	24%	0.237	C	C	.	.			trans	-121.9	124.2	175.6	-61.4	176.8	0	0	0	110.1	I138 F179 L184 P188 A191	I138-L162 HydrophobicContact CD1-CD1 4.31Å; I138-L162 HydrophobicContact CD1-CD2 3.74Å; I138-L162 HydrophobicContact CG1-CD2 4.03Å; L162-F179 HydrophobicContact CD1-CD2 4.4Å; L162-F179 HydrophobicContact CD1-CE1 3.87Å; L162-F179 HydrophobicContact CD1-CE2 3.71Å; L162-F179 HydrophobicContact CD1-CZ 3.41Å; L162-F179 VanDerWaalsContact CD1-CZ 3.41Å; L162-L184 HydrophobicContact CG-CD2 4.22Å; L162-P188 HydrophobicContact CB-CB 3.77Å; L162-P188 HydrophobicContact CD1-CB 3.9Å; L162-P188 HydrophobicContact CD1-CG 3.99Å; L162-P188 HydrophobicContact CG-CB 4.2Å; L162-A191 HydrophobicContact CB-CB 3.97Å
163	G	91.8	Very high	92.4	Very high	39 Å²	39	48.5 Å²	48.5	40%	0.402	26%	0.256	S	S	.	.			trans	-79.1	166.1	177.1	0	0	0	0	0	112.2	R165 S166 A191	G163-R165 PolarHBondContact O-N 3.12Å; G163-R165 VanDerWaalsContact O-N 3.08Å; G163-S166 PolarHBondContact N-OG 3.08Å; G163-S166 VanDerWaalsContact N-OG 3.09Å; G163-S166 VanDerWaalsContact O-CB 3.25Å; G163-S166 WeakPolarHBondContact O-CB 3.19Å; G163-S166 PolarHBondContact O-N 2.99Å; G163-S166 PolarHBondContact O-OG 3.5Å; G163-A191 WeakPolarHBondContact O-CB 3.41Å
164	H	90.5	Very high	92.3	Very high	101 Å²	101	47.7 Å²	47.7	47%	0.468	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.5	-177.8	67.1	-77.1	0	0	0	114.3	R190 M194	H164-R190 HydrophobicContact CB-CB 4.25Å; H164-M194 VanDerWaalsContact O-CG 3.24Å; H164-M194 WeakPolarHBondContact O-CG 3.42Å
165	R	90.4	Very high	92.3	Very high	169 Å²	169	48.9 Å²	48.9	64%	0.638	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-7	179.2	-52.9	-166.7	-179.6	-159	-2.4	114.1	T140 G163 L167 I168	T140-R165 WeakPolarHBondContact CG2-O 3.32Å; G163-R165 PolarHBondContact O-N 3.12Å; G163-R165 VanDerWaalsContact O-N 3.08Å; R165-L167 PolarHBondContact O-N 3.33Å; R165-I168 WeakPolarHBondContact O-CB 3.36Å; R165-I168 VanDerWaalsContact O-CG2 3.26Å; R165-I168 WeakPolarHBondContact O-CG2 3.27Å; R165-I168 PolarHBondContact O-N 3.26Å; R165-I168 VanDerWaalsContact O-N 3.13Å
166	S	92.7	Very high	92.4	Very high	22 Å²	22	48.6 Å²	48.6	15%	0.154	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.8	-169	-70.1	0	0	0	0	113.5	T140 G163 F169	T140-S166 WeakPolarHBondContact OG1-CA 3.34Å; T140-S166 PolarHBondContact OG1-O 2.99Å; T140-S166 VanDerWaalsContact OG1-O 3.06Å; G163-S166 PolarHBondContact N-OG 3.08Å; G163-S166 VanDerWaalsContact N-OG 3.09Å; G163-S166 VanDerWaalsContact O-CB 3.25Å; G163-S166 WeakPolarHBondContact O-CB 3.19Å; G163-S166 PolarHBondContact O-N 2.99Å; G163-S166 PolarHBondContact O-OG 3.5Å; S166-F169 WeakPolarHBondContact O-CE1 3.43Å
167	L	92.9	Very high	92.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	17	-177.4	-58.6	176.9	0	0	0	114.3	I138 R165 F169 G170 L177 F179 A191 L192 V195	I138-L167 HydrophobicContact CD1-CD2 3.81Å; R165-L167 PolarHBondContact O-N 3.33Å; L167-F169 HydrophobicContact CD2-CE1 3.84Å; L167-F169 HydrophobicContact CD2-CZ 3.91Å; L167-F169 PolarHBondContact O-N 3.3Å; L167-G170 PolarHBondContact O-N 3.34Å; L167-L177 HydrophobicContact CD1-CD2 3.51Å; L167-L177 HydrophobicContact CD2-CD1 4.22Å; L167-L177 HydrophobicContact CD2-CD2 4.01Å; L167-L177 HydrophobicContact CG-CD2 4.41Å; L167-F179 HydrophobicContact CD2-CZ 4.09Å; L167-A191 HydrophobicContact CD1-CB 3.85Å; L167-A191 HydrophobicContact CG-CB 4.08Å; L167-L192 HydrophobicContact CD1-CD2 4.21Å; L167-V195 HydrophobicContact CB-CG1 4.03Å; L167-V195 HydrophobicContact CD1-CG2 4.16Å
168	I	91.1	Very high	92.6	Very high	66 Å²	66	45.3 Å²	45.3	34%	0.338	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-63.7	-11.6	-178.9	-160.8	176.7	0	0	0	113.9	T140 T144 R165 G170 L171	T140-I168 HydrophobicContact CG2-CG2 3.5Å; T140-I168 VanDerWaalsContact CG2-CG2 3.5Å; T144-I168 HydrophobicContact CG2-CG2 3.42Å; T144-I168 VanDerWaalsContact CG2-CG2 3.42Å; R165-I168 WeakPolarHBondContact O-CB 3.36Å; R165-I168 VanDerWaalsContact O-CG2 3.26Å; R165-I168 WeakPolarHBondContact O-CG2 3.27Å; R165-I168 PolarHBondContact O-N 3.26Å; R165-I168 VanDerWaalsContact O-N 3.13Å; I168-G170 VanDerWaalsContact C-N 3.27Å; I168-L171 HydrophobicContact CG1-CD1 3.81Å; I168-L171 HydrophobicContact CG1-CD2 4.34Å; I168-L171 HydrophobicContact CG1-CG 4.15Å; I168-L171 WeakPolarHBondContact O-CG 3.37Å
169	F	89.3	Confident	92.7	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.026	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-73.8	-20.4	172.1	64.6	-91.9	0	0	0	112.8	I138 L143 I149 A152 F154 S166 L167 L174	I138-F169 HydrophobicContact CG2-CE1 3.95Å; L143-F169 HydrophobicContact CB-CB 3.65Å; L143-F169 HydrophobicContact CB-CD1 3.93Å; L143-F169 HydrophobicContact CB-CD2 4.41Å; L143-F169 HydrophobicContact CB-CG 3.75Å; L143-F169 HydrophobicContact CD1-CD1 3.96Å; L143-F169 HydrophobicContact CD1-CE1 3.97Å; L143-F169 HydrophobicContact CD1-CG 4.31Å; L143-F169 HydrophobicContact CD1-CZ 4.32Å; L143-F169 WeakPolarHBondContact O-CB 3.07Å; I149-F169 HydrophobicContact CB-CD2 4.45Å; I149-F169 HydrophobicContact CD1-CD2 4.01Å; I149-F169 HydrophobicContact CG2-CD2 4.41Å; I149-F169 HydrophobicContact CG2-CE2 4.25Å; A152-F169 HydrophobicContact CB-CE2 3.98Å; A152-F169 HydrophobicContact CB-CZ 4.21Å; F154-F169 HydrophobicContact CE2-CZ 4.33Å; F154-F169 HydrophobicContact CZ-CZ 4.27Å; S166-F169 WeakPolarHBondContact O-CE1 3.43Å; L167-F169 HydrophobicContact CD2-CE1 3.84Å; L167-F169 HydrophobicContact CD2-CZ 3.91Å; L167-F169 PolarHBondContact O-N 3.3Å; F169-L174 HydrophobicContact CE2-CD1 4.34Å
170	G	83	Confident	92.8	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.021	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-106.3	14.2	-173.3	0	0	0	0	0	115.2	L167 I168 D172 L174 V195	L167-G170 PolarHBondContact O-N 3.34Å; I168-G170 VanDerWaalsContact C-N 3.27Å; G170-D172 PolarHBondContact O-N 2.84Å; G170-L174 WeakPolarHBondContact O-CB 3.46Å; G170-L174 PolarHBondContact O-N 2.94Å; G170-V195 WeakPolarHBondContact O-CG1 3.06Å
171	L	85.4	Confident	92.9	Very high	66 Å²	66	45.5 Å²	45.5	35%	0.346	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-42.1	-172.8	-66.7	175.2	0	0	0	113.1	I168 M194	I168-L171 HydrophobicContact CG1-CD1 3.81Å; I168-L171 HydrophobicContact CG1-CD2 4.34Å; I168-L171 HydrophobicContact CG1-CG 4.15Å; I168-L171 WeakPolarHBondContact O-CG 3.37Å; L171-M194 HydrophobicContact CD2-CB 3.77Å; L171-M194 WeakPolarHBondContact CD2-O 3.26Å
172	D	83	Confident	93.1	Very high	82 Å²	82	41.7 Å²	41.7	44%	0.439	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-30.4	-166	-59.9	-46.5	0	0	0	113.8	G170 K197	G170-D172 PolarHBondContact O-N 2.84Å; D172-K197 WeakPolarHBondContact O-CD 3.28Å; D172-K197 WeakPolarHBondContact O-CE 3.26Å; D172-K197 PolarHBondContact O-NZ 2.91Å
173	E	89.5	Confident	93.2	Very high	84 Å²	84	44.8 Å²	44.8	39%	0.393	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-11.6	-166	-65.3	-59	139.8	0	0	114.2	Q150 A175	Q150-E173 WeakPolarHBondContact CA-O 3.25Å; Q150-E173 HydrophobicContact CG-CB 4.03Å; Q150-E173 WeakPolarHBondContact CG-O 3.48Å; E173-A175 PolarHBondContact O-N 2.87Å; E173-A175 VanDerWaalsContact O-N 3.08Å
174	L	95.6	Very high	93.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.209	C	C	.	.			trans	-69.6	113.1	-170.8	-167.9	74.8	0	0	0	111.7	I149 A152 F169 G170 L177 V195 L198	I149-L174 HydrophobicContact CG2-CD1 4Å; A152-L174 HydrophobicContact CB-CD1 3.82Å; F169-L174 HydrophobicContact CE2-CD1 4.34Å; G170-L174 WeakPolarHBondContact O-CB 3.46Å; G170-L174 PolarHBondContact O-N 2.94Å; L174-L177 HydrophobicContact CD2-CB 4.35Å; L174-L177 HydrophobicContact CD2-CD1 4.25Å; L174-L177 HydrophobicContact CD2-CD2 4.3Å; L174-V195 HydrophobicContact CB-CG1 4.45Å; L174-V195 HydrophobicContact CD2-CB 4.34Å; L174-V195 HydrophobicContact CD2-CG1 3.94Å; L174-L198 HydrophobicContact CD2-CD1 4.11Å; L174-L198 HydrophobicContact CG-CD1 4Å; L174-L198 WeakPolarHBondContact O-CA 3.49Å; L174-L198 PolarHBondContact O-N 3.27Å
175	A	96.7	Very high	93.8	Very high	25 Å²	25	41.9 Å²	41.9	21%	0.207	21%	0.206	C	C	.	.			trans	-102.8	-35	178.6	0	0	0	0	0	112.5	Q150 E173 L198 E199 I200	Q150-A175 PolarHBondContact O-N 2.64Å; E173-A175 PolarHBondContact O-N 2.87Å; E173-A175 VanDerWaalsContact O-N 3.08Å; A175-L198 WeakPolarHBondContact O-CD1 3.37Å; A175-E199 HydrophobicContact CB-CB 4.48Å; A175-E199 HydrophobicContact CB-CG 4.28Å; A175-E199 CarbonylContact O-C 3.34Å; A175-E199 WeakPolarHBondContact O-CA 3.44Å; A175-E199 PolarHBondContact O-N 3.36Å; A175-I200 PolarHBondContact O-N 3.41Å
176	L	98.2	Very high	94.1	Very high	19 Å²	19	36.6 Å²	36.6	10%	0.099	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.6	179.7	-174.4	156.5	0	0	0	111.8	Q150 E151 A152 D178 I200	Q150-L176 PolarHBondContact O-N 3.03Å; E151-L176 WeakPolarHBondContact CA-O 3.49Å; E151-L176 HydrophobicContact CB-CB 4.07Å; E151-L176 HydrophobicContact CB-CD2 4.43Å; E151-L176 HydrophobicContact CG-CB 3.94Å; A152-L176 PolarHBondContact N-O 3.19Å; L176-D178 HydrophobicContact CD2-CB 4.23Å; L176-I200 WeakPolarHBondContact CA-O 3.36Å; L176-I200 HydrophobicContact CB-CB 4.23Å; L176-I200 HydrophobicContact CD1-CB 4.26Å; L176-I200 HydrophobicContact CD1-CD1 4.12Å; L176-I200 HydrophobicContact CD1-CG2 4.11Å; L176-I200 HydrophobicContact CG-CB 3.97Å; L176-I200 HydrophobicContact CG-CG2 4Å
177	L	97.7	Very high	94.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	122.5	174.7	-171.1	59.9	0	0	0	111.6	A152 F154 L167 L174 F179 L192 L198 I200 L201 V202	A152-L177 HydrophobicContact CB-CD1 3.94Å; A152-L177 CarbonylContact O-C 3.13Å; A152-L177 VanDerWaalsContact O-CA 3.3Å; A152-L177 WeakPolarHBondContact O-CA 3.49Å; F154-L177 HydrophobicContact CD2-CD1 4.46Å; F154-L177 HydrophobicContact CE2-CD1 4.23Å; L167-L177 HydrophobicContact CD1-CD2 3.51Å; L167-L177 HydrophobicContact CD2-CD1 4.22Å; L167-L177 HydrophobicContact CD2-CD2 4.01Å; L167-L177 HydrophobicContact CG-CD2 4.41Å; L174-L177 HydrophobicContact CD2-CB 4.35Å; L174-L177 HydrophobicContact CD2-CD1 4.25Å; L174-L177 HydrophobicContact CD2-CD2 4.3Å; L177-F179 HydrophobicContact CD1-CE1 4.08Å; L177-F179 HydrophobicContact CD1-CE2 4Å; L177-F179 HydrophobicContact CD1-CZ 3.58Å; L177-F179 HydrophobicContact CD2-CD2 4.34Å; L177-F179 HydrophobicContact CD2-CE2 3.31Å; L177-F179 HydrophobicContact CD2-CZ 3.56Å; L177-F179 HydrophobicContact CG-CD2 4.12Å; L177-F179 HydrophobicContact CG-CE1 4.39Å; L177-F179 HydrophobicContact CG-CE2 3.43Å; L177-F179 VanDerWaalsContact CG-CE2 3.43Å; L177-F179 HydrophobicContact CG-CZ 3.58Å; L177-L192 HydrophobicContact CD2-CD2 4.07Å; L177-L198 HydrophobicContact CB-CD1 3.73Å; L177-L198 HydrophobicContact CB-CD2 4.16Å; L177-I200 PolarHBondContact N-O 3.43Å; L177-L201 HydrophobicContact CB-CD1 4.26Å; L177-L201 HydrophobicContact CD2-CD1 4.35Å; L177-L201 HydrophobicContact CG-CD1 4.44Å; L177-L201 WeakPolarHBondContact O-CA 3.17Å; L177-V202 PolarHBondContact O-N 3.29Å
178	D	98.4	Very high	94.6	Very high	22 Å²	22	36.2 Å²	36.2	12%	0.118	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118	-177.1	-174.5	-1.6	0	0	0	112.7	A152 F154 V155 L176 K180 V202	A152-D178 PolarHBondContact O-N 3.12Å; F154-D178 PolarHBondContact N-O 3.15Å; V155-D178 HydrophobicContact CG2-CB 4.41Å; V155-D178 VanDerWaalsContact CG2-CG 3.44Å; V155-D178 WeakPolarHBondContact CG2-OD2 3.41Å; L176-D178 HydrophobicContact CD2-CB 4.23Å; D178-K180 WeakPolarHBondContact OD1-CB 3.45Å; D178-K180 PolarHBondContact OD1-N 2.94Å; D178-V202 HydrophobicContact CB-CB 4.11Å; D178-V202 HydrophobicContact CB-CG2 4.46Å; D178-V202 WeakPolarHBondContact OD1-CB 3.46Å; D178-V202 WeakPolarHBondContact OD1-CG1 3.31Å
179	F	98.2	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.			trans	-118.3	23	175.7	-60.8	-58.9	0	0	0	113	I138 F154 L159 L162 L167 L177 N182 L184 V202 L203 N206	I138-F179 HydrophobicContact CD1-CE1 3.76Å; I138-F179 HydrophobicContact CD1-CZ 4.05Å; F154-F179 HydrophobicContact CB-CD1 4.18Å; F154-F179 HydrophobicContact CB-CE1 4.44Å; F154-F179 HydrophobicContact CD2-CD1 4.06Å; F154-F179 AromaticContact CD2-CE1 3.56Å; F154-F179 HydrophobicContact CD2-CE1 3.56Å; F154-F179 HydrophobicContact CE2-CE1 4.23Å; F154-F179 HydrophobicContact CG-CE1 4.33Å; L159-F179 HydrophobicContact CD1-CD1 3.76Å; L159-F179 HydrophobicContact CD1-CE1 4.01Å; L162-F179 HydrophobicContact CD1-CD2 4.4Å; L162-F179 HydrophobicContact CD1-CE1 3.87Å; L162-F179 HydrophobicContact CD1-CE2 3.71Å; L162-F179 HydrophobicContact CD1-CZ 3.41Å; L162-F179 VanDerWaalsContact CD1-CZ 3.41Å; L167-F179 HydrophobicContact CD2-CZ 4.09Å; L177-F179 HydrophobicContact CD1-CE1 4.08Å; L177-F179 HydrophobicContact CD1-CE2 4Å; L177-F179 HydrophobicContact CD1-CZ 3.58Å; L177-F179 HydrophobicContact CD2-CD2 4.34Å; L177-F179 HydrophobicContact CD2-CE2 3.31Å; L177-F179 HydrophobicContact CD2-CZ 3.56Å; L177-F179 HydrophobicContact CG-CD2 4.12Å; L177-F179 HydrophobicContact CG-CE1 4.39Å; L177-F179 HydrophobicContact CG-CE2 3.43Å; L177-F179 VanDerWaalsContact CG-CE2 3.43Å; L177-F179 HydrophobicContact CG-CZ 3.58Å; F179-N182 WeakPolarHBondContact O-CB 3.45Å; F179-N182 PolarHBondContact O-ND2 3.07Å; F179-L184 HydrophobicContact CB-CD1 3.91Å; F179-L184 HydrophobicContact CD2-CD1 4.29Å; F179-L184 HydrophobicContact CG-CD1 4.18Å; F179-V202 PolarHBondContact N-O 3Å; F179-L203 HydrophobicContact CB-CD2 4.22Å; F179-L203 HydrophobicContact CD2-CD2 3.86Å; F179-N206 PolarHBondContact O-ND2 3.4Å
180	K	98.2	Very high	95.1	Very high	73 Å²	73	45.7 Å²	45.7	32%	0.317	22%	0.224	S	C	.	.			trans	-54.5	143.4	180	179.2	176	179.3	176.8	0	112.2	V155 N156 D178 N182 V202 S204	V155-K180 VanDerWaalsContact CA-O 3.31Å; V155-K180 WeakPolarHBondContact CA-O 3.45Å; V155-K180 HydrophobicContact CG1-CB 4.38Å; V155-K180 HydrophobicContact CG2-CB 4.17Å; N156-K180 PolarHBondContact N-O 3.03Å; D178-K180 WeakPolarHBondContact OD1-CB 3.45Å; D178-K180 PolarHBondContact OD1-N 2.94Å; K180-N182 PolarHBondContact O-ND2 2.67Å; K180-V202 HydrophobicContact CB-CG1 3.96Å; K180-S204 VanDerWaalsContact CA-O 3.28Å; K180-S204 WeakPolarHBondContact CA-O 3.43Å; K180-S204 WeakPolarHBondContact CD-OG 3.27Å; K180-S204 WeakPolarHBondContact CG-OG 3.37Å
181	H	98	Very high	95.7	Very high	77 Å²	77	45.6 Å²	45.6	36%	0.356	22%	0.223	S	C	.	.	S	Bend	trans	54.7	56.1	-178.9	-66	-64.9	0	0	0	112.3	N156 N157 S204 H205	N156-H181 WeakPolarHBondContact CA-O 3.41Å; N156-H181 HydrophobicContact CB-CB 4.23Å; N156-H181 PolarHBondContact N-O 3.34Å; N157-H181 PolarHBondContact N-O 3.07Å; H181-S204 PolarHBondContact N-O 3.35Å; H181-S204 VanDerWaalsContact N-O 3.14Å; H181-H205 VanDerWaalsContact CA-O 3.31Å; H181-H205 WeakPolarHBondContact CA-O 3.35Å; H181-H205 AromaticContact CE1-CD2 3.58Å; H181-H205 AromaticContact CE1-CE1 3.92Å; H181-H205 AromaticContact CE1-CG 3.31Å; H181-H205 AromaticContact CE1-ND1 3.55Å; H181-H205 AromaticContact CE1-NE2 3.94Å; H181-H205 PolarHBondContact N-O 3.09Å; H181-H205 VanDerWaalsContact ND1-CB 3.31Å; H181-H205 WeakPolarHBondContact ND1-CB 3.17Å; H181-H205 AromaticContact ND1-CG 3.59Å; H181-H205 AromaticContact NE2-CD2 3.89Å
182	N	98.3	Very high	96.2	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.032	21%	0.206	C	C	.	.	S	Bend	trans	-121	-166	168.7	-82.4	-83.8	0	0	0	109	F154 N157 Q158 L159 F179 K180 L184 H205 N206	F154-N182 PolarHBondContact O-ND2 2.94Å; N157-N182 WeakPolarHBondContact CA-OD1 3.49Å; N157-N182 VanDerWaalsContact CB-OD1 3.28Å; N157-N182 WeakPolarHBondContact CB-OD1 3.47Å; N157-N182 PolarHBondContact N-OD1 3.47Å; N157-N182 PolarHBondContact O-OD1 3.16Å; Q158-N182 PolarHBondContact N-OD1 3.14Å; L159-N182 HydrophobicContact CB-CB 4.15Å; L159-N182 WeakPolarHBondContact CB-OD1 3.3Å; L159-N182 WeakPolarHBondContact CG-OD1 3.3Å; L159-N182 PolarHBondContact N-OD1 3.34Å; F179-N182 WeakPolarHBondContact O-CB 3.45Å; F179-N182 PolarHBondContact O-ND2 3.07Å; K180-N182 PolarHBondContact O-ND2 2.67Å; N182-L184 HydrophobicContact CB-CG 4.47Å; N182-H205 PolarHBondContact N-O 2.79Å; N182-N206 WeakPolarHBondContact CA-OD1 3.24Å; N182-N206 WeakPolarHBondContact CB-OD1 3.4Å; N182-N206 PolarHBondContact N-OD1 2.98Å; N182-N206 PolarHBondContact O-OD1 3.4Å
183	L	98.1	Very high	96.7	Very high	81 Å²	81	41.7 Å²	41.7	42%	0.424	20%	0.2	S	C	.	.			trans	-117.5	28	-175.2	-56.7	175.4	0	0	0	111.2	Q158 L159 T160 D185 N206 L207	Q158-L183 HydrophobicContact CB-CD1 4.42Å; L159-L183 CarbonylContact O-C 3.49Å; L159-L183 VanDerWaalsContact O-CA 3.3Å; L159-L183 WeakPolarHBondContact O-CA 3.4Å; L159-L183 WeakPolarHBondContact O-CB 3.44Å; L159-L183 PolarHBondContact O-N 3.3Å; T160-L183 WeakPolarHBondContact CA-O 3.41Å; T160-L183 HydrophobicContact CG2-CB 3.92Å; T160-L183 HydrophobicContact CG2-CD1 4.26Å; L183-D185 PolarHBondContact O-N 3.49Å; L183-N206 PolarHBondContact N-OD1 2.9Å; L183-L207 HydrophobicContact CB-CD1 4.43Å; L183-L207 HydrophobicContact CD2-CD1 4.4Å
184	L	98.3	Very high	96.8	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.198	C	C	.	.			trans	-67	120.2	-177.9	-61.1	174.4	0	0	0	110.3	L159 T160 L162 F179 N182 P188 L203 N206 L207 I208	L159-L184 HydrophobicContact CB-CD2 4.32Å; L159-L184 PolarHBondContact O-N 2.76Å; T160-L184 WeakPolarHBondContact O-CA 3.45Å; L162-L184 HydrophobicContact CG-CD2 4.22Å; F179-L184 HydrophobicContact CB-CD1 3.91Å; F179-L184 HydrophobicContact CD2-CD1 4.29Å; F179-L184 HydrophobicContact CG-CD1 4.18Å; N182-L184 HydrophobicContact CB-CG 4.47Å; L184-P188 HydrophobicContact CD1-CG 4.49Å; L184-L203 HydrophobicContact CD1-CD2 3.81Å; L184-N206 HydrophobicContact CB-CB 4.09Å; L184-N206 VanDerWaalsContact CB-OD1 3.32Å; L184-N206 WeakPolarHBondContact CB-OD1 3.39Å; L184-N206 WeakPolarHBondContact CG-OD1 3.25Å; L184-N206 PolarHBondContact N-OD1 3.36Å; L184-L207 CarbonylContact O-C 3.54Å; L184-L207 VanDerWaalsContact O-C 3.23Å; L184-L207 VanDerWaalsContact O-CA 3.26Å; L184-L207 WeakPolarHBondContact O-CA 3.42Å; L184-L207 WeakPolarHBondContact O-CB 3.37Å; L184-L207 PolarHBondContact O-N 2.93Å; L184-I208 PolarHBondContact O-N 3.28Å
185	D	97	Very high	96.8	Very high	77 Å²	77	41.2 Å²	41.2	41%	0.412	20%	0.198	S	C	.	.	S	Bend	trans	-84.2	-13.3	-179.7	63.7	0.6	0	0	0	114	L183 I208	L183-D185 PolarHBondContact O-N 3.49Å; D185-I208 WeakPolarHBondContact O-CA 3.48Å
186	S	97.4	Very high	96.7	Very high	58 Å²	58	42.8 Å²	42.8	41%	0.406	21%	0.206	S	C	.	.	S	Bend	trans	-152.9	156.1	-174.7	53.1	0	0	0	0	109.9
187	V	98	Very high	96.5	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.036	22%	0.223	C	C	.	.			trans	-61.4	128.8	169.7	179.9	0	0	0	0	107.7	R189 L192 L203 I208 V211 D215 F216	V187-R189 PolarHBondContact O-N 2.88Å; V187-L192 HydrophobicContact CG1-CD1 3.65Å; V187-L203 HydrophobicContact CG1-CD1 4.2Å; V187-L203 HydrophobicContact CG2-CD1 4.36Å; V187-I208 HydrophobicContact CG2-CD1 4.04Å; V187-I208 HydrophobicContact CG2-CG2 4.08Å; V187-V211 HydrophobicContact CG2-CG2 4.07Å; V187-D215 HydrophobicContact CB-CB 3.96Å; V187-D215 HydrophobicContact CG1-CB 3.89Å; V187-D215 HydrophobicContact CG2-CB 4.37Å; V187-F216 HydrophobicContact CG1-CE1 3.92Å; V187-F216 HydrophobicContact CG1-CZ 4.43Å; V187-F216 HydrophobicContact CG2-CZ 4.24Å
188	P	96.9	Very high	96.4	Very high	8 Å²	8	46.7 Å²	46.7	5%	0.052	22%	0.223	C	C	.	.			trans	-76.5	57	-174.3	29.9	-35.3	0	0	0	112.6	L162 L184 R190 A191 L192	L162-P188 HydrophobicContact CB-CB 3.77Å; L162-P188 HydrophobicContact CD1-CB 3.9Å; L162-P188 HydrophobicContact CD1-CG 3.99Å; L162-P188 HydrophobicContact CG-CB 4.2Å; L184-P188 HydrophobicContact CD1-CG 4.49Å; P188-R190 VanDerWaalsContact C-N 3.33Å; P188-R190 PolarHBondContact O-N 2.73Å; P188-R190 VanDerWaalsContact O-N 3.17Å; P188-A191 HydrophobicContact CB-CB 4.37Å; P188-A191 WeakPolarHBondContact O-CB 3.43Å; P188-A191 PolarHBondContact O-N 3.1Å; P188-L192 HydrophobicContact CG-CD1 4.03Å; P188-L192 HydrophobicContact CG-CG 4.14Å; P188-L192 PolarHBondContact O-N 3.05Å
189	R	96.3	Very high	96.4	Very high	84 Å²	84	49.8 Å²	49.8	32%	0.317	24%	0.236	S	C	.	.	H	α-helix	trans	-45.8	-51.3	-172.7	175.8	-176.1	171.3	-157.9	3.2	113	V187 A191 L192 Q193 E214	V187-R189 PolarHBondContact O-N 2.88Å; R189-A191 PolarHBondContact O-N 2.77Å; R189-L192 PolarHBondContact O-N 2.94Å; R189-Q193 WeakPolarHBondContact O-CG 3.47Å; R189-Q193 PolarHBondContact O-N 2.87Å; R189-E214 WeakPolarHBondContact CD-O 3.43Å; R189-E214 IonicContact CZ-OE2 3.91Å; R189-E214 PolarHBondContact NE-O 3Å; R189-E214 IonicContact NH1-OE2 3.41Å; R189-E214 PolarHBondContact NH1-OE2 2.95Å; R189-E214 IonicContact NH2-OE2 3.82Å; R189-E214 PolarHBondContact NH2-OE2 3.17Å
190	R	94.8	Very high	96.4	Very high	188 Å²	188	50.7 Å²	50.7	71%	0.709	24%	0.241	S	C	*	.	H	α-helix	trans	-60.8	-33.6	-177	-68.4	-176.1	-179.8	167	-0	112.6	H164 P188	H164-R190 HydrophobicContact CB-CB 4.25Å; P188-R190 VanDerWaalsContact C-N 3.33Å; P188-R190 PolarHBondContact O-N 2.73Å; P188-R190 VanDerWaalsContact O-N 3.17Å
191	A	95.6	Very high	96.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-77.4	-43.3	176.1	0	0	0	0	0	111	L162 G163 L167 P188 R189 Q193 M194	L162-A191 HydrophobicContact CB-CB 3.97Å; G163-A191 WeakPolarHBondContact O-CB 3.41Å; L167-A191 HydrophobicContact CD1-CB 3.85Å; L167-A191 HydrophobicContact CG-CB 4.08Å; P188-A191 HydrophobicContact CB-CB 4.37Å; P188-A191 WeakPolarHBondContact O-CB 3.43Å; P188-A191 PolarHBondContact O-N 3.1Å; R189-A191 PolarHBondContact O-N 2.77Å; A191-Q193 VanDerWaalsContact C-N 3.28Å; A191-Q193 PolarHBondContact O-N 2.93Å; A191-M194 WeakPolarHBondContact O-CB 3.42Å; A191-M194 PolarHBondContact O-N 2.81Å; A191-M194 VanDerWaalsContact O-N 3.12Å
192	L	96.2	Very high	96.5	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-28.1	-178.6	-67.7	171.9	0	0	0	113.4	L167 L177 V187 P188 R189 M194 V195 L198 L201 L219	L167-L192 HydrophobicContact CD1-CD2 4.21Å; L177-L192 HydrophobicContact CD2-CD2 4.07Å; V187-L192 HydrophobicContact CG1-CD1 3.65Å; P188-L192 HydrophobicContact CG-CD1 4.03Å; P188-L192 HydrophobicContact CG-CG 4.14Å; P188-L192 PolarHBondContact O-N 3.05Å; R189-L192 PolarHBondContact O-N 2.94Å; L192-M194 PolarHBondContact O-N 2.91Å; L192-M194 VanDerWaalsContact O-N 3.11Å; L192-V195 HydrophobicContact CD2-CG2 4.37Å; L192-V195 WeakPolarHBondContact O-CG2 3.25Å; L192-V195 PolarHBondContact O-N 2.9Å; L192-V195 VanDerWaalsContact O-N 3.07Å; L192-L198 HydrophobicContact CD2-CD2 4.27Å; L192-L201 HydrophobicContact CD1-CD2 3.8Å; L192-L201 HydrophobicContact CD2-CD1 4.03Å; L192-L201 HydrophobicContact CD2-CD2 4.09Å; L192-L219 HydrophobicContact CB-CD1 4.35Å; L192-L219 HydrophobicContact CB-CD2 4.39Å; L192-L219 HydrophobicContact CD1-CD1 4.28Å
193	Q	93.8	Very high	96.5	Very high	64 Å²	64	43.4 Å²	43.4	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.3	173.6	-74.4	177.8	7.2	0	0	113.8	R189 A191 K218	R189-Q193 WeakPolarHBondContact O-CG 3.47Å; R189-Q193 PolarHBondContact O-N 2.87Å; A191-Q193 VanDerWaalsContact C-N 3.28Å; A191-Q193 PolarHBondContact O-N 2.93Å; Q193-K218 HydrophobicContact CB-CG 4.28Å; Q193-K218 HydrophobicContact CG-CB 4.42Å; Q193-K218 HydrophobicContact CG-CG 3.81Å
194	M	92.2	Very high	96.5	Very high	74 Å²	74	39.9 Å²	39.9	37%	0.365	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.3	178.8	-59.4	-65.7	81.9	0	0	113.4	H164 L171 A191 L192 P196	H164-M194 VanDerWaalsContact O-CG 3.24Å; H164-M194 WeakPolarHBondContact O-CG 3.42Å; L171-M194 HydrophobicContact CD2-CB 3.77Å; L171-M194 WeakPolarHBondContact CD2-O 3.26Å; A191-M194 WeakPolarHBondContact O-CB 3.42Å; A191-M194 PolarHBondContact O-N 2.81Å; A191-M194 VanDerWaalsContact O-N 3.12Å; L192-M194 PolarHBondContact O-N 2.91Å; L192-M194 VanDerWaalsContact O-N 3.11Å; M194-P196 VanDerWaalsContact O-CD 3.23Å; M194-P196 WeakPolarHBondContact O-CD 3.46Å
195	V	94.7	Very high	96.5	Very high	1 Å²	1	43 Å²	43	1%	0.006	21%	0.205	C	C	.	.			trans	-121	62.7	-176.3	-65.6	0	0	0	0	111.1	L167 G170 L174 L192 K197 L198 L219	L167-V195 HydrophobicContact CB-CG1 4.03Å; L167-V195 HydrophobicContact CD1-CG2 4.16Å; G170-V195 WeakPolarHBondContact O-CG1 3.06Å; L174-V195 HydrophobicContact CB-CG1 4.45Å; L174-V195 HydrophobicContact CD2-CB 4.34Å; L174-V195 HydrophobicContact CD2-CG1 3.94Å; L192-V195 HydrophobicContact CD2-CG2 4.37Å; L192-V195 WeakPolarHBondContact O-CG2 3.25Å; L192-V195 PolarHBondContact O-N 2.9Å; L192-V195 VanDerWaalsContact O-N 3.07Å; V195-K197 PolarHBondContact O-N 2.87Å; V195-K197 VanDerWaalsContact O-N 3.16Å; V195-L198 HydrophobicContact CG2-CB 4.49Å; V195-L198 WeakPolarHBondContact O-CB 3.42Å; V195-L198 PolarHBondContact O-N 3.28Å; V195-L219 WeakPolarHBondContact O-CD2 3.36Å
196	P	93.8	Very high	96.6	Very high	58 Å²	58	39.6 Å²	39.6	38%	0.377	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.7	-172.8	29.5	-36.9	0	0	0	114.1	M194 L198	M194-P196 VanDerWaalsContact O-CD 3.23Å; M194-P196 WeakPolarHBondContact O-CD 3.46Å; P196-L198 VanDerWaalsContact C-N 3.32Å
197	K	94.4	Very high	96.6	Very high	101 Å²	101	40.8 Å²	40.8	44%	0.439	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.6	178.2	-69.2	179.7	178.1	-174.4	0	114	D172 V195 E199	D172-K197 WeakPolarHBondContact O-CD 3.28Å; D172-K197 WeakPolarHBondContact O-CE 3.26Å; D172-K197 PolarHBondContact O-NZ 2.91Å; V195-K197 PolarHBondContact O-N 2.87Å; V195-K197 VanDerWaalsContact O-N 3.16Å; K197-E199 PolarHBondContact O-N 3.36Å
198	L	97	Very high	96.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.186	C	C	.	.			trans	-55.4	133.3	-176.1	-165.1	74	0	0	0	111.9	L174 A175 L177 L192 V195 P196 L201 L219 N221 L222	L174-L198 HydrophobicContact CD2-CD1 4.11Å; L174-L198 HydrophobicContact CG-CD1 4Å; L174-L198 WeakPolarHBondContact O-CA 3.49Å; L174-L198 PolarHBondContact O-N 3.27Å; A175-L198 WeakPolarHBondContact O-CD1 3.37Å; L177-L198 HydrophobicContact CB-CD1 3.73Å; L177-L198 HydrophobicContact CB-CD2 4.16Å; L192-L198 HydrophobicContact CD2-CD2 4.27Å; V195-L198 HydrophobicContact CG2-CB 4.49Å; V195-L198 WeakPolarHBondContact O-CB 3.42Å; V195-L198 PolarHBondContact O-N 3.28Å; P196-L198 VanDerWaalsContact C-N 3.32Å; L198-L201 HydrophobicContact CD2-CB 3.86Å; L198-L201 HydrophobicContact CD2-CD1 4.09Å; L198-L201 HydrophobicContact CD2-CD2 4.48Å; L198-L201 HydrophobicContact CD2-CG 4.36Å; L198-L219 HydrophobicContact CB-CD2 4.22Å; L198-N221 CarbonylContact O-C 3.59Å; L198-L222 HydrophobicContact CB-CD1 4.29Å; L198-L222 HydrophobicContact CD2-CD1 4Å; L198-L222 HydrophobicContact CG-CD1 3.99Å; L198-L222 WeakPolarHBondContact O-CA 3.25Å; L198-L222 PolarHBondContact O-N 2.8Å
199	E	97.9	Very high	96.6	Very high	87 Å²	87	48 Å²	48	41%	0.407	21%	0.213	S	C	.	.			trans	-106.3	-35.1	-179.3	-61.1	-173.9	175.7	0	0	112	A175 K197 L222 L223 A224	A175-E199 HydrophobicContact CB-CB 4.48Å; A175-E199 HydrophobicContact CB-CG 4.28Å; A175-E199 CarbonylContact O-C 3.34Å; A175-E199 WeakPolarHBondContact O-CA 3.44Å; A175-E199 PolarHBondContact O-N 3.36Å; K197-E199 PolarHBondContact O-N 3.36Å; E199-L222 CarbonylContact O-C 3.56Å; E199-L223 HydrophobicContact CB-CD1 4.21Å; E199-L223 HydrophobicContact CB-CG 4.27Å; E199-L223 HydrophobicContact CG-CD1 4.43Å; E199-L223 WeakPolarHBondContact O-CA 3.38Å; E199-L223 PolarHBondContact O-N 2.83Å; E199-A224 PolarHBondContact O-N 3.05Å
200	I	98.5	Very high	96.6	Very high	20 Å²	20	47.1 Å²	47.1	10%	0.103	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.3	-176.8	-57.8	179.3	0	0	0	109.5	L5 A175 L176 L177 V202 A224	L5-I200 HydrophobicContact CB-CD1 3.82Å; L5-I200 HydrophobicContact CD1-CD1 4.1Å; L5-I200 HydrophobicContact CG-CD1 4.5Å; A175-I200 PolarHBondContact O-N 3.41Å; L176-I200 WeakPolarHBondContact CA-O 3.36Å; L176-I200 HydrophobicContact CB-CB 4.23Å; L176-I200 HydrophobicContact CD1-CB 4.26Å; L176-I200 HydrophobicContact CD1-CD1 4.12Å; L176-I200 HydrophobicContact CD1-CG2 4.11Å; L176-I200 HydrophobicContact CG-CB 3.97Å; L176-I200 HydrophobicContact CG-CG2 4Å; L177-I200 PolarHBondContact N-O 3.43Å; I200-V202 HydrophobicContact CG2-CG2 4.29Å; I200-A224 WeakPolarHBondContact CA-O 3.39Å; I200-A224 HydrophobicContact CB-CB 4.48Å; I200-A224 HydrophobicContact CG1-CB 4.08Å; I200-A224 HydrophobicContact CG2-CB 4.24Å
201	L	98.5	Very high	96.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.7	176.6	178.9	58.8	0	0	0	110.8	L177 L192 L198 L203 F216 L219 L222 A224 L225 E226	L177-L201 HydrophobicContact CB-CD1 4.26Å; L177-L201 HydrophobicContact CD2-CD1 4.35Å; L177-L201 HydrophobicContact CG-CD1 4.44Å; L177-L201 WeakPolarHBondContact O-CA 3.17Å; L192-L201 HydrophobicContact CD1-CD2 3.8Å; L192-L201 HydrophobicContact CD2-CD1 4.03Å; L192-L201 HydrophobicContact CD2-CD2 4.09Å; L198-L201 HydrophobicContact CD2-CB 3.86Å; L198-L201 HydrophobicContact CD2-CD1 4.09Å; L198-L201 HydrophobicContact CD2-CD2 4.48Å; L198-L201 HydrophobicContact CD2-CG 4.36Å; L201-L203 HydrophobicContact CD1-CD1 4.45Å; L201-L203 HydrophobicContact CD1-CD2 4.4Å; L201-L203 HydrophobicContact CD1-CG 4.13Å; L201-L203 HydrophobicContact CD2-CD1 3.9Å; L201-L203 HydrophobicContact CD2-CG 4.42Å; L201-L203 HydrophobicContact CG-CD1 4.06Å; L201-L203 HydrophobicContact CG-CG 4.05Å; L201-F216 HydrophobicContact CD2-CE1 4.36Å; L201-L219 HydrophobicContact CD2-CD1 3.92Å; L201-L222 HydrophobicContact CB-CD1 3.83Å; L201-L222 HydrophobicContact CB-CD2 4.24Å; L201-A224 PolarHBondContact N-O 3.06Å; L201-L225 HydrophobicContact CB-CD1 4.14Å; L201-L225 HydrophobicContact CD2-CD1 4Å; L201-L225 HydrophobicContact CG-CD1 4.11Å; L201-L225 WeakPolarHBondContact O-CA 3.47Å; L201-E226 PolarHBondContact O-N 2.93Å
202	V	98.6	Very high	96.9	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.9	177.3	-175.2	0	0	0	0	110.5	V2 L177 D178 F179 K180 I200 E226	V2-V202 HydrophobicContact CG2-CG2 3.93Å; L177-V202 PolarHBondContact O-N 3.29Å; D178-V202 HydrophobicContact CB-CB 4.11Å; D178-V202 HydrophobicContact CB-CG2 4.46Å; D178-V202 WeakPolarHBondContact OD1-CB 3.46Å; D178-V202 WeakPolarHBondContact OD1-CG1 3.31Å; F179-V202 PolarHBondContact N-O 3Å; K180-V202 HydrophobicContact CB-CG1 3.96Å; I200-V202 HydrophobicContact CG2-CG2 4.29Å; V202-E226 HydrophobicContact CB-CB 4.32Å; V202-E226 HydrophobicContact CG1-CB 4.04Å; V202-E226 HydrophobicContact CG1-CG 3.89Å; V202-E226 HydrophobicContact CG2-CB 4.21Å
203	L	98.5	Very high	96.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.			trans	-127.2	11.7	-179.6	-68.4	169.7	0	0	0	111.9	F179 L184 V187 L201 N206 I208 E226 L227 N230	F179-L203 HydrophobicContact CB-CD2 4.22Å; F179-L203 HydrophobicContact CD2-CD2 3.86Å; L184-L203 HydrophobicContact CD1-CD2 3.81Å; V187-L203 HydrophobicContact CG1-CD1 4.2Å; V187-L203 HydrophobicContact CG2-CD1 4.36Å; L201-L203 HydrophobicContact CD1-CD1 4.45Å; L201-L203 HydrophobicContact CD1-CD2 4.4Å; L201-L203 HydrophobicContact CD1-CG 4.13Å; L201-L203 HydrophobicContact CD2-CD1 3.9Å; L201-L203 HydrophobicContact CD2-CG 4.42Å; L201-L203 HydrophobicContact CG-CD1 4.06Å; L201-L203 HydrophobicContact CG-CG 4.05Å; L203-N206 PolarHBondContact O-ND2 2.8Å; L203-I208 HydrophobicContact CB-CD1 4.15Å; L203-I208 HydrophobicContact CD1-CD1 4.21Å; L203-E226 CarbonylContact C-O 3.55Å; L203-E226 WeakPolarHBondContact CA-O 3.39Å; L203-E226 PolarHBondContact N-O 3.08Å; L203-L227 HydrophobicContact CB-CD2 4.02Å; L203-L227 HydrophobicContact CD1-CD2 3.96Å; L203-N230 PolarHBondContact O-ND2 3.33Å
204	S	98.2	Very high	97.1	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.042	23%	0.23	C	C	.	.			trans	-60.2	151.8	-178.3	52.2	0	0	0	0	113.4	K180 H181 N206 E226 S228	K180-S204 VanDerWaalsContact CA-O 3.28Å; K180-S204 WeakPolarHBondContact CA-O 3.43Å; K180-S204 WeakPolarHBondContact CD-OG 3.27Å; K180-S204 WeakPolarHBondContact CG-OG 3.37Å; H181-S204 PolarHBondContact N-O 3.35Å; H181-S204 VanDerWaalsContact N-O 3.14Å; S204-N206 PolarHBondContact O-N 2.81Å; S204-N206 PolarHBondContact O-ND2 3.24Å; S204-E226 PolarHBondContact N-O 3.19Å; S204-S228 CarbonylContact C-O 3.55Å; S204-S228 WeakPolarHBondContact CA-O 3.47Å; S204-S228 VanDerWaalsContact CB-O 3.26Å; S204-S228 WeakPolarHBondContact CB-O 3.36Å
205	H	98.1	Very high	97.4	Very high	66 Å²	66	45.1 Å²	45.1	31%	0.306	22%	0.219	S	C	.	.	S	Bend	trans	52.1	54.1	-177.7	-61	-92.6	0	0	0	112.9	H181 N182 S228 H229	H181-H205 VanDerWaalsContact CA-O 3.31Å; H181-H205 WeakPolarHBondContact CA-O 3.35Å; H181-H205 AromaticContact CE1-CD2 3.58Å; H181-H205 AromaticContact CE1-CE1 3.92Å; H181-H205 AromaticContact CE1-CG 3.31Å; H181-H205 AromaticContact CE1-ND1 3.55Å; H181-H205 AromaticContact CE1-NE2 3.94Å; H181-H205 PolarHBondContact N-O 3.09Å; H181-H205 VanDerWaalsContact ND1-CB 3.31Å; H181-H205 WeakPolarHBondContact ND1-CB 3.17Å; H181-H205 AromaticContact ND1-CG 3.59Å; H181-H205 AromaticContact NE2-CD2 3.89Å; N182-H205 PolarHBondContact N-O 2.79Å; H205-S228 PolarHBondContact N-O 2.89Å; H205-H229 WeakPolarHBondContact CA-O 3.24Å; H205-H229 AromaticContact CE1-CD2 3.39Å; H205-H229 PolarHBondContact CE1-CD2 3.32Å; H205-H229 AromaticContact CE1-CG 3.55Å; H205-H229 AromaticContact ND1-CG 3.98Å; H205-H229 AromaticContact NE2-CD2 3.33Å; H205-H229 PolarHBondContact NE2-CD2 2.87Å; H205-H229 VanDerWaalsContact NE2-CD2 3.33Å; H205-H229 AromaticContact NE2-CG 3.89Å
206	N	98.5	Very high	97.5	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.032	22%	0.219	C	C	.	.	S	Bend	trans	-118	-164.2	168.2	-82	-82.9	0	0	0	108.8	F179 N182 L183 L184 L203 S204 I208 N230	F179-N206 PolarHBondContact O-ND2 3.4Å; N182-N206 WeakPolarHBondContact CA-OD1 3.24Å; N182-N206 WeakPolarHBondContact CB-OD1 3.4Å; N182-N206 PolarHBondContact N-OD1 2.98Å; N182-N206 PolarHBondContact O-OD1 3.4Å; L183-N206 PolarHBondContact N-OD1 2.9Å; L184-N206 HydrophobicContact CB-CB 4.09Å; L184-N206 VanDerWaalsContact CB-OD1 3.32Å; L184-N206 WeakPolarHBondContact CB-OD1 3.39Å; L184-N206 WeakPolarHBondContact CG-OD1 3.25Å; L184-N206 PolarHBondContact N-OD1 3.36Å; L203-N206 PolarHBondContact O-ND2 2.8Å; S204-N206 PolarHBondContact O-N 2.81Å; S204-N206 PolarHBondContact O-ND2 3.24Å; N206-I208 HydrophobicContact CB-CD1 4.48Å; N206-I208 HydrophobicContact CB-CG1 4.21Å; N206-N230 VanDerWaalsContact CA-OD1 3.3Å; N206-N230 WeakPolarHBondContact CA-OD1 3.2Å; N206-N230 WeakPolarHBondContact CB-OD1 3.22Å; N206-N230 PolarHBondContact N-OD1 3.09Å; N206-N230 PolarHBondContact O-OD1 2.87Å
207	L	97.9	Very high	97.6	Very high	84 Å²	84	44 Å²	44	44%	0.44	21%	0.213	S	C	.	.			trans	-114.1	25	-176.7	-59.1	176.4	0	0	0	112.1	L183 L184 R209 N230	L183-L207 HydrophobicContact CB-CD1 4.43Å; L183-L207 HydrophobicContact CD2-CD1 4.4Å; L184-L207 CarbonylContact O-C 3.54Å; L184-L207 VanDerWaalsContact O-C 3.23Å; L184-L207 VanDerWaalsContact O-CA 3.26Å; L184-L207 WeakPolarHBondContact O-CA 3.42Å; L184-L207 WeakPolarHBondContact O-CB 3.37Å; L184-L207 PolarHBondContact O-N 2.93Å; L207-R209 PolarHBondContact O-N 2.93Å; L207-N230 PolarHBondContact N-OD1 2.97Å
208	I	98	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.216	C	C	.	.			trans	-69.2	125.2	-175.3	-54.8	175.3	0	0	0	110	L184 D185 V187 L203 N206 S210 V211 L227 N230 P231 L232	L184-I208 PolarHBondContact O-N 3.28Å; D185-I208 WeakPolarHBondContact O-CA 3.48Å; V187-I208 HydrophobicContact CG2-CD1 4.04Å; V187-I208 HydrophobicContact CG2-CG2 4.08Å; L203-I208 HydrophobicContact CB-CD1 4.15Å; L203-I208 HydrophobicContact CD1-CD1 4.21Å; N206-I208 HydrophobicContact CB-CD1 4.48Å; N206-I208 HydrophobicContact CB-CG1 4.21Å; I208-S210 WeakPolarHBondContact CG2-O 3.23Å; I208-V211 HydrophobicContact CG2-CG2 4.23Å; I208-L227 HydrophobicContact CD1-CD2 4.34Å; I208-N230 HydrophobicContact CB-CB 4.13Å; I208-N230 WeakPolarHBondContact CB-OD1 3.39Å; I208-N230 WeakPolarHBondContact CG1-OD1 3.24Å; I208-N230 PolarHBondContact N-OD1 2.93Å; I208-P231 CarbonylContact O-C 3.45Å; I208-P231 WeakPolarHBondContact O-CD 3.33Å; I208-L232 HydrophobicContact CB-CD2 4.3Å; I208-L232 HydrophobicContact CG2-CD2 3.74Å; I208-L232 WeakPolarHBondContact O-CD2 3.49Å; I208-L232 PolarHBondContact O-N 3.37Å
209	R	96.9	Very high	97.6	Very high	164 Å²	164	45 Å²	45	62%	0.619	22%	0.217	S	C	*	.			trans	-101.8	-23.8	-177.4	-62.2	-171.9	-177	111.9	-1.7	115	L207 P231 L232 V233 H234	L207-R209 PolarHBondContact O-N 2.93Å; R209-P231 WeakPolarHBondContact CA-O 3.23Å; R209-P231 HydrophobicContact CG-CG 4.38Å; R209-L232 WeakPolarHBondContact O-CA 3.44Å; R209-V233 PolarHBondContact O-N 2.61Å; R209-H234 PolarHBondContact O-N 3.19Å
210	S	97.2	Very high	97.5	Very high	67 Å²	67	48.9 Å²	48.9	47%	0.469	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153	179.8	58.9	0	0	0	0	111.9	I208 H234	I208-S210 WeakPolarHBondContact CG2-O 3.23Å; S210-H234 VanDerWaalsContact CA-O 3.25Å; S210-H234 WeakPolarHBondContact CA-O 3.35Å
211	V	97.9	Very high	97.4	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.2	175.7	174.9	0	0	0	0	109.2	V187 I208 F216 L227 L232 H234 A236 A239 F240	V187-V211 HydrophobicContact CG2-CG2 4.07Å; I208-V211 HydrophobicContact CG2-CG2 4.23Å; V211-F216 HydrophobicContact CG1-CD2 4.19Å; V211-F216 HydrophobicContact CG1-CE2 3.3Å; V211-F216 HydrophobicContact CG1-CZ 3.93Å; V211-L227 HydrophobicContact CG2-CD1 4.39Å; V211-L232 HydrophobicContact CG2-CD1 4.29Å; V211-L232 HydrophobicContact CG2-CD2 3.61Å; V211-H234 PolarHBondContact N-O 3.37Å; V211-H234 VanDerWaalsContact N-O 3.09Å; V211-A236 PolarHBondContact O-N 3.17Å; V211-A239 HydrophobicContact CG1-CB 4.02Å; V211-F240 HydrophobicContact CG1-CE1 4.2Å
212	S	97.7	Very high	97.4	Very high	39 Å²	39	51.2 Å²	51.2	27%	0.273	24%	0.241	S	C	.	.			trans	-131.4	167.8	-176.9	71.7	0	0	0	0	111.9	E214 D215	S212-E214 PolarHBondContact O-N 3.27Å; S212-E214 PolarHBondContact OG-N 2.73Å; S212-D215 PolarHBondContact N-OD2 3.21Å; S212-D215 PolarHBondContact O-N 2.97Å; S212-D215 PolarHBondContact OG-OD2 2.78Å
213	R	97.8	Very high	97.4	Very high	113 Å²	113	53.7 Å²	53.7	43%	0.426	25%	0.253	S	S	.	.	H	α-helix	trans	-54.8	-36	174.6	-171.1	-157.8	-175.1	84.5	1.5	112.2	D215 F216 S217 D238 P242	R213-D215 VanDerWaalsContact C-N 3.31Å; R213-D215 PolarHBondContact O-N 2.92Å; R213-F216 PolarHBondContact O-N 2.87Å; R213-S217 PolarHBondContact O-N 3.44Å; R213-D238 WeakPolarHBondContact CD-OD2 3.29Å; R213-D238 IonicContact CZ-OD2 3.73Å; R213-D238 IonicContact NE-OD2 2.7Å; R213-D238 IonicContact NH1-OD2 3.75Å; R213-D238 PolarHBondContact NH1-OD2 2.88Å; R213-P242 HydrophobicContact CG-CG 3.45Å; R213-P242 VanDerWaalsContact CG-CG 3.45Å
214	E	97.1	Very high	97.4	Very high	104 Å²	104	54 Å²	54	49%	0.486	26%	0.256	S	S	.	.	H	α-helix	trans	-70	-30.1	-172.2	-60.8	-163.3	161.3	0	0	113.2	R189 S212 F216 S217	R189-E214 WeakPolarHBondContact CD-O 3.43Å; R189-E214 IonicContact CZ-OE2 3.91Å; R189-E214 PolarHBondContact NE-O 3Å; R189-E214 IonicContact NH1-OE2 3.41Å; R189-E214 PolarHBondContact NH1-OE2 2.95Å; R189-E214 IonicContact NH2-OE2 3.82Å; R189-E214 PolarHBondContact NH2-OE2 3.17Å; S212-E214 PolarHBondContact O-N 3.27Å; S212-E214 PolarHBondContact OG-N 2.73Å; E214-F216 PolarHBondContact O-N 2.77Å; E214-S217 PolarHBondContact O-N 3.32Å; E214-S217 PolarHBondContact O-OG 3.34Å
215	D	97.8	Very high	97.4	Very high	25 Å²	25	54 Å²	54	13%	0.134	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-33.6	-178.4	-63.8	-44.4	0	0	0	112.1	V187 S212 R213	V187-D215 HydrophobicContact CB-CB 3.96Å; V187-D215 HydrophobicContact CG1-CB 3.89Å; V187-D215 HydrophobicContact CG2-CB 4.37Å; S212-D215 PolarHBondContact N-OD2 3.21Å; S212-D215 PolarHBondContact O-N 2.97Å; S212-D215 PolarHBondContact OG-OD2 2.78Å; R213-D215 VanDerWaalsContact C-N 3.31Å; R213-D215 PolarHBondContact O-N 2.92Å
216	F	97.7	Very high	97.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-112.5	3.7	-176.2	-56.8	-51	0	0	0	114.3	V187 L201 V211 R213 E214 K218 L219 L225 L227 F240 L243	V187-F216 HydrophobicContact CG1-CE1 3.92Å; V187-F216 HydrophobicContact CG1-CZ 4.43Å; V187-F216 HydrophobicContact CG2-CZ 4.24Å; L201-F216 HydrophobicContact CD2-CE1 4.36Å; V211-F216 HydrophobicContact CG1-CD2 4.19Å; V211-F216 HydrophobicContact CG1-CE2 3.3Å; V211-F216 HydrophobicContact CG1-CZ 3.93Å; R213-F216 PolarHBondContact O-N 2.87Å; E214-F216 PolarHBondContact O-N 2.77Å; F216-K218 PolarHBondContact O-N 2.87Å; F216-L219 HydrophobicContact CD1-CD1 4.18Å; F216-L219 PolarHBondContact O-N 3.02Å; F216-L225 HydrophobicContact CE1-CD1 4.07Å; F216-L225 HydrophobicContact CE1-CD2 4.08Å; F216-L225 HydrophobicContact CE2-CD2 3.91Å; F216-L225 HydrophobicContact CZ-CD1 4.22Å; F216-L225 HydrophobicContact CZ-CD2 3.68Å; F216-L227 HydrophobicContact CZ-CD1 4.22Å; F216-F240 HydrophobicContact CD2-CD1 4.18Å; F216-F240 AromaticContact CE2-CD1 3.89Å; F216-F240 HydrophobicContact CE2-CD1 3.89Å; F216-F240 AromaticContact CE2-CE1 3.82Å; F216-F240 HydrophobicContact CE2-CE1 3.82Å; F216-L243 HydrophobicContact CB-CD1 4.25Å; F216-L243 HydrophobicContact CB-CD2 3.65Å; F216-L243 HydrophobicContact CB-CG 3.93Å; F216-L243 HydrophobicContact CD2-CD1 4.2Å; F216-L243 HydrophobicContact CG-CD1 4.14Å; F216-L243 HydrophobicContact CG-CD2 4.23Å; F216-L243 HydrophobicContact CG-CG 4.36Å
217	S	96.2	Very high	97.4	Very high	36 Å²	36	51.9 Å²	51.9	25%	0.252	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-24.7	-172.6	57.5	0	0	0	0	115.9	R213 E214	R213-S217 PolarHBondContact O-N 3.44Å; E214-S217 PolarHBondContact O-N 3.32Å; E214-S217 PolarHBondContact O-OG 3.34Å
218	K	94.9	Very high	97.3	Very high	119 Å²	119	48.2 Å²	48.2	52%	0.517	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-9	179.4	-62.2	-57.9	-175.1	176.5	0	114.6	Q193 F216 R220	Q193-K218 HydrophobicContact CB-CG 4.28Å; Q193-K218 HydrophobicContact CG-CB 4.42Å; Q193-K218 HydrophobicContact CG-CG 3.81Å; F216-K218 PolarHBondContact O-N 2.87Å; K218-R220 VanDerWaalsContact C-N 3.31Å; K218-R220 PolarHBondContact O-N 3.26Å; K218-R220 VanDerWaalsContact O-N 3.16Å
219	L	96.5	Very high	97.2	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	25%	0.248	C	C	.	.			trans	-92.2	56.1	-175.3	-56.9	-175.5	0	0	0	111.5	L192 V195 L198 L201 F216 N221 L222 L243	L192-L219 HydrophobicContact CB-CD1 4.35Å; L192-L219 HydrophobicContact CB-CD2 4.39Å; L192-L219 HydrophobicContact CD1-CD1 4.28Å; V195-L219 WeakPolarHBondContact O-CD2 3.36Å; L198-L219 HydrophobicContact CB-CD2 4.22Å; L201-L219 HydrophobicContact CD2-CD1 3.92Å; F216-L219 HydrophobicContact CD1-CD1 4.18Å; F216-L219 PolarHBondContact O-N 3.02Å; L219-N221 PolarHBondContact O-N 3.44Å; L219-L222 HydrophobicContact CB-CB 4.22Å; L219-L222 HydrophobicContact CD1-CD1 4.48Å; L219-L222 HydrophobicContact CD1-CD2 4.43Å; L219-L222 WeakPolarHBondContact O-CB 3.39Å; L219-L222 PolarHBondContact O-N 2.85Å; L219-L243 HydrophobicContact CB-CD2 3.86Å; L219-L243 WeakPolarHBondContact O-CD2 3.16Å
220	R	95.5	Very high	97.2	Very high	168 Å²	168	45.1 Å²	45.1	63%	0.634	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.5	-174.7	-65.6	-176.8	177.3	-172.4	-2.5	113.3	K218 L222	K218-R220 VanDerWaalsContact C-N 3.31Å; K218-R220 PolarHBondContact O-N 3.26Å; K218-R220 VanDerWaalsContact O-N 3.16Å; R220-L222 VanDerWaalsContact C-N 3.35Å
221	N	96.2	Very high	97.2	Very high	69 Å²	69	45 Å²	45	37%	0.369	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.8	-179.8	-68.8	3.3	0	0	0	113.5	L198 L219 L223	L198-N221 CarbonylContact O-C 3.59Å; L219-N221 PolarHBondContact O-N 3.44Å; N221-L223 PolarHBondContact O-N 3.13Å
222	L	98	Very high	97.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.			trans	-64.9	120.3	-175.6	-154.1	75.7	0	0	0	110.7	L198 E199 L201 L219 R220 L225 L243 L245 L246	L198-L222 HydrophobicContact CB-CD1 4.29Å; L198-L222 HydrophobicContact CD2-CD1 4Å; L198-L222 HydrophobicContact CG-CD1 3.99Å; L198-L222 WeakPolarHBondContact O-CA 3.25Å; L198-L222 PolarHBondContact O-N 2.8Å; E199-L222 CarbonylContact O-C 3.56Å; L201-L222 HydrophobicContact CB-CD1 3.83Å; L201-L222 HydrophobicContact CB-CD2 4.24Å; L219-L222 HydrophobicContact CB-CB 4.22Å; L219-L222 HydrophobicContact CD1-CD1 4.48Å; L219-L222 HydrophobicContact CD1-CD2 4.43Å; L219-L222 WeakPolarHBondContact O-CB 3.39Å; L219-L222 PolarHBondContact O-N 2.85Å; R220-L222 VanDerWaalsContact C-N 3.35Å; L222-L225 HydrophobicContact CD2-CB 3.9Å; L222-L225 HydrophobicContact CD2-CD1 4.22Å; L222-L225 HydrophobicContact CD2-CG 4.48Å; L222-L243 HydrophobicContact CB-CD2 3.84Å; L222-L243 HydrophobicContact CD2-CD1 4.16Å; L222-L243 HydrophobicContact CD2-CD2 3.79Å; L222-L243 HydrophobicContact CG-CD2 4.48Å; L222-L245 CarbonylContact O-C 3.57Å; L222-L246 HydrophobicContact CD2-CD1 4.42Å; L222-L246 VanDerWaalsContact O-CA 3.24Å; L222-L246 WeakPolarHBondContact O-CA 3.33Å; L222-L246 PolarHBondContact O-N 2.75Å; L222-L246 VanDerWaalsContact O-N 3.11Å
223	L	98.3	Very high	96.9	Very high	55 Å²	55	47.2 Å²	47.2	29%	0.288	23%	0.229	S	C	.	.			trans	-92.3	-35.2	175.4	-60.2	178.2	0	0	0	111.5	E199 N221 L245 K247 H248	E199-L223 HydrophobicContact CB-CD1 4.21Å; E199-L223 HydrophobicContact CB-CG 4.27Å; E199-L223 HydrophobicContact CG-CD1 4.43Å; E199-L223 WeakPolarHBondContact O-CA 3.38Å; E199-L223 PolarHBondContact O-N 2.83Å; N221-L223 PolarHBondContact O-N 3.13Å; L223-L245 HydrophobicContact CD2-CB 3.85Å; L223-L245 WeakPolarHBondContact CD2-O 3.39Å; L223-K247 PolarHBondContact O-N 3.43Å; L223-H248 PolarHBondContact O-N 3.41Å
224	A	98.5	Very high	96.7	Very high	8 Å²	8	47 Å²	47	7%	0.066	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.9	-178.2	0	0	0	0	0	113.8	L5 E199 I200 L201 H248	L5-A224 HydrophobicContact CD1-CB 3.64Å; E199-A224 PolarHBondContact O-N 3.05Å; I200-A224 WeakPolarHBondContact CA-O 3.39Å; I200-A224 HydrophobicContact CB-CB 4.48Å; I200-A224 HydrophobicContact CG1-CB 4.08Å; I200-A224 HydrophobicContact CG2-CB 4.24Å; L201-A224 PolarHBondContact N-O 3.06Å; A224-H248 CarbonylContact C-O 3.07Å; A224-H248 VanDerWaalsContact CA-O 3.29Å; A224-H248 WeakPolarHBondContact CA-O 3.43Å; A224-H248 HydrophobicContact CB-CB 3.63Å
225	L	98.5	Very high	96.7	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.2	176.7	177.5	61.5	0	0	0	110.6	L201 F216 L222 L227 F240 L243 L246 H248 I249 G250	L201-L225 HydrophobicContact CB-CD1 4.14Å; L201-L225 HydrophobicContact CD2-CD1 4Å; L201-L225 HydrophobicContact CG-CD1 4.11Å; L201-L225 WeakPolarHBondContact O-CA 3.47Å; F216-L225 HydrophobicContact CE1-CD1 4.07Å; F216-L225 HydrophobicContact CE1-CD2 4.08Å; F216-L225 HydrophobicContact CE2-CD2 3.91Å; F216-L225 HydrophobicContact CZ-CD1 4.22Å; F216-L225 HydrophobicContact CZ-CD2 3.68Å; L222-L225 HydrophobicContact CD2-CB 3.9Å; L222-L225 HydrophobicContact CD2-CD1 4.22Å; L222-L225 HydrophobicContact CD2-CG 4.48Å; L225-L227 HydrophobicContact CD1-CD1 4.48Å; L225-L227 HydrophobicContact CD1-CG 4.17Å; L225-L227 HydrophobicContact CD2-CD1 3.82Å; L225-L227 HydrophobicContact CD2-CG 4.36Å; L225-L227 HydrophobicContact CG-CD1 4.09Å; L225-L227 HydrophobicContact CG-CG 4.09Å; L225-F240 HydrophobicContact CD2-CD1 3.96Å; L225-F240 HydrophobicContact CD2-CE1 3.89Å; L225-L243 HydrophobicContact CD2-CD1 3.77Å; L225-L246 HydrophobicContact CB-CD1 3.92Å; L225-H248 PolarHBondContact N-O 2.92Å; L225-I249 HydrophobicContact CB-CG1 4.41Å; L225-I249 HydrophobicContact CD2-CD1 4.47Å; L225-I249 CarbonylContact O-C 3.36Å; L225-I249 VanDerWaalsContact O-CA 3.29Å; L225-I249 WeakPolarHBondContact O-CA 3.43Å; L225-G250 PolarHBondContact O-N 3.28Å
226	E	98.1	Very high	96.7	Very high	28 Å²	28	42.6 Å²	42.6	13%	0.131	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111	-179.6	176.6	55.9	-102.5	0	0	110.5	L201 V202 L203 S204 S228	L201-E226 PolarHBondContact O-N 2.93Å; V202-E226 HydrophobicContact CB-CB 4.32Å; V202-E226 HydrophobicContact CG1-CB 4.04Å; V202-E226 HydrophobicContact CG1-CG 3.89Å; V202-E226 HydrophobicContact CG2-CB 4.21Å; L203-E226 CarbonylContact C-O 3.55Å; L203-E226 WeakPolarHBondContact CA-O 3.39Å; L203-E226 PolarHBondContact N-O 3.08Å; S204-E226 PolarHBondContact N-O 3.19Å; E226-S228 WeakPolarHBondContact OE1-CA 3.11Å; E226-S228 WeakPolarHBondContact OE1-CB 3.35Å; E226-S228 PolarHBondContact OE1-N 3.43Å; E226-S228 PolarHBondContact OE1-OG 2.82Å
227	L	97.9	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.			trans	-119.7	5.1	-176.2	-76.8	168.5	0	0	0	112.8	L203 I208 V211 F216 L225 N230 F240 G250 L251 I254	L203-L227 HydrophobicContact CB-CD2 4.02Å; L203-L227 HydrophobicContact CD1-CD2 3.96Å; I208-L227 HydrophobicContact CD1-CD2 4.34Å; V211-L227 HydrophobicContact CG2-CD1 4.39Å; F216-L227 HydrophobicContact CZ-CD1 4.22Å; L225-L227 HydrophobicContact CD1-CD1 4.48Å; L225-L227 HydrophobicContact CD1-CG 4.17Å; L225-L227 HydrophobicContact CD2-CD1 3.82Å; L225-L227 HydrophobicContact CD2-CG 4.36Å; L225-L227 HydrophobicContact CG-CD1 4.09Å; L225-L227 HydrophobicContact CG-CG 4.09Å; L227-N230 PolarHBondContact O-ND2 3.13Å; L227-F240 HydrophobicContact CD1-CE1 3.79Å; L227-F240 HydrophobicContact CD1-CZ 4.15Å; L227-G250 PolarHBondContact N-O 3.29Å; L227-L251 HydrophobicContact CB-CD2 4.07Å; L227-L251 HydrophobicContact CD1-CD2 4.22Å; L227-I254 HydrophobicContact CB-CD1 4.47Å
228	S	96.7	Very high	96.7	Very high	7 Å²	7	45.9 Å²	45.9	5%	0.049	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	148.9	-174.8	-58.2	0	0	0	0	113.1	S204 H205 E226 N230 G250 L251 A252	S204-S228 CarbonylContact C-O 3.55Å; S204-S228 WeakPolarHBondContact CA-O 3.47Å; S204-S228 VanDerWaalsContact CB-O 3.26Å; S204-S228 WeakPolarHBondContact CB-O 3.36Å; H205-S228 PolarHBondContact N-O 2.89Å; E226-S228 WeakPolarHBondContact OE1-CA 3.11Å; E226-S228 WeakPolarHBondContact OE1-CB 3.35Å; E226-S228 PolarHBondContact OE1-N 3.43Å; E226-S228 PolarHBondContact OE1-OG 2.82Å; S228-N230 VanDerWaalsContact C-N 3.28Å; S228-N230 PolarHBondContact O-N 2.89Å; S228-G250 PolarHBondContact N-O 3.3Å; S228-L251 PolarHBondContact OG-N 3.42Å; S228-A252 CarbonylContact C-O 3.6Å; S228-A252 WeakPolarHBondContact CA-O 3.45Å; S228-A252 WeakPolarHBondContact CB-O 3.46Å; S228-A252 WeakPolarHBondContact OG-CB 3.21Å; S228-A252 PolarHBondContact OG-N 3.31Å
229	H	96.2	Very high	96.8	Very high	94 Å²	94	40.2 Å²	40.2	44%	0.435	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	41	178.9	-56.6	-71.9	0	0	0	113.5	H205 A252	H205-H229 WeakPolarHBondContact CA-O 3.24Å; H205-H229 AromaticContact CE1-CD2 3.39Å; H205-H229 PolarHBondContact CE1-CD2 3.32Å; H205-H229 AromaticContact CE1-CG 3.55Å; H205-H229 AromaticContact ND1-CG 3.98Å; H205-H229 AromaticContact NE2-CD2 3.33Å; H205-H229 PolarHBondContact NE2-CD2 2.87Å; H205-H229 VanDerWaalsContact NE2-CD2 3.33Å; H205-H229 AromaticContact NE2-CG 3.89Å; H229-A252 PolarHBondContact N-O 3.08Å
230	N	97.3	Very high	96.9	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.027	21%	0.213	C	C	.	.			trans	-104.4	143.4	161.8	-80.1	-81.5	0	0	0	109.2	L203 N206 L207 I208 L227 S228 L232	L203-N230 PolarHBondContact O-ND2 3.33Å; N206-N230 VanDerWaalsContact CA-OD1 3.3Å; N206-N230 WeakPolarHBondContact CA-OD1 3.2Å; N206-N230 WeakPolarHBondContact CB-OD1 3.22Å; N206-N230 PolarHBondContact N-OD1 3.09Å; N206-N230 PolarHBondContact O-OD1 2.87Å; L207-N230 PolarHBondContact N-OD1 2.97Å; I208-N230 HydrophobicContact CB-CB 4.13Å; I208-N230 WeakPolarHBondContact CB-OD1 3.39Å; I208-N230 WeakPolarHBondContact CG1-OD1 3.24Å; I208-N230 PolarHBondContact N-OD1 2.93Å; L227-N230 PolarHBondContact O-ND2 3.13Å; S228-N230 VanDerWaalsContact C-N 3.28Å; S228-N230 PolarHBondContact O-N 2.89Å; N230-L232 HydrophobicContact CB-CD1 4.23Å; N230-L232 HydrophobicContact CB-CG 3.91Å; N230-L232 PolarHBondContact O-N 2.94Å
231	P	95.9	Very high	96.9	Very high	66 Å²	66	34.3 Å²	34.3	43%	0.429	20%	0.196	S	C	.	.			trans	-74.7	53.6	178.4	34.3	-37.9	0	0	0	112	I208 R209 V233	I208-P231 CarbonylContact O-C 3.45Å; I208-P231 WeakPolarHBondContact O-CD 3.33Å; R209-P231 WeakPolarHBondContact CA-O 3.23Å; R209-P231 HydrophobicContact CG-CG 4.38Å; P231-V233 PolarHBondContact O-N 3.2Å
232	L	95.4	Very high	97	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.047	18%	0.183	C	C	.	.			trans	-70	116.3	-176.7	-72	171.5	0	0	0	110.6	I208 R209 V211 N230 I235 I254	I208-L232 HydrophobicContact CB-CD2 4.3Å; I208-L232 HydrophobicContact CG2-CD2 3.74Å; I208-L232 WeakPolarHBondContact O-CD2 3.49Å; I208-L232 PolarHBondContact O-N 3.37Å; R209-L232 WeakPolarHBondContact O-CA 3.44Å; V211-L232 HydrophobicContact CG2-CD1 4.29Å; V211-L232 HydrophobicContact CG2-CD2 3.61Å; N230-L232 HydrophobicContact CB-CD1 4.23Å; N230-L232 HydrophobicContact CB-CG 3.91Å; N230-L232 PolarHBondContact O-N 2.94Å; L232-I235 HydrophobicContact CD1-CD1 4.43Å; L232-I254 HydrophobicContact CB-CG2 4.12Å; L232-I254 HydrophobicContact CD1-CD1 3.49Å; L232-I254 VanDerWaalsContact CD1-CD1 3.49Å; L232-I254 HydrophobicContact CD1-CG1 3.97Å
233	V	93.7	Very high	96.9	Very high	80 Å²	80	31.7 Å²	31.7	49%	0.485	18%	0.183	S	C	.	.			trans	-95.4	-44.1	175.7	-176.8	0	0	0	0	109.9	R209 P231 S256	R209-V233 PolarHBondContact O-N 2.61Å; P231-V233 PolarHBondContact O-N 3.2Å; V233-S256 WeakPolarHBondContact O-CB 3.44Å; V233-S256 PolarHBondContact O-OG 3.24Å
234	H	95.1	Very high	96.8	Very high	108 Å²	108	34.9 Å²	34.9	50%	0.5	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.5	-174.5	-63.1	-61.1	0	0	0	112	R209 S210 V211	R209-H234 PolarHBondContact O-N 3.19Å; S210-H234 VanDerWaalsContact CA-O 3.25Å; S210-H234 WeakPolarHBondContact CA-O 3.35Å; V211-H234 PolarHBondContact N-O 3.37Å; V211-H234 VanDerWaalsContact N-O 3.09Å
235	I	96.8	Very high	96.7	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113.9	173.8	-57.3	177	0	0	0	107.6	L232 A237 A239 F240 I254 D258 L259 A262	L232-I235 HydrophobicContact CD1-CD1 4.43Å; I235-A237 PolarHBondContact O-N 3.06Å; I235-A239 HydrophobicContact CG2-CB 4.02Å; I235-F240 HydrophobicContact CG2-CE2 4.03Å; I235-F240 HydrophobicContact CG2-CZ 4.23Å; I235-I254 HydrophobicContact CD1-CG2 3.87Å; I235-D258 HydrophobicContact CB-CB 4.09Å; I235-D258 PolarHBondContact N-OD2 2.97Å; I235-D258 WeakPolarHBondContact O-CB 3.45Å; I235-L259 HydrophobicContact CD1-CB 4.21Å; I235-L259 HydrophobicContact CD1-CD1 4.04Å; I235-A262 HydrophobicContact CG2-CB 3.77Å
236	A	97.5	Very high	96.6	Very high	34 Å²	34	38.3 Å²	38.3	28%	0.281	21%	0.214	S	C	.	.			trans	-58.7	138.9	176.6	0	0	0	0	0	110.6	V211 D238 A239	V211-A236 PolarHBondContact O-N 3.17Å; A236-D238 PolarHBondContact O-N 3.31Å; A236-A239 HydrophobicContact CB-CB 4.21Å; A236-A239 WeakPolarHBondContact O-CB 3.48Å; A236-A239 PolarHBondContact O-N 2.75Å
237	A	96	Very high	96.6	Very high	46 Å²	46	40.5 Å²	40.5	38%	0.38	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24	-178.4	0	0	0	0	0	113.6	I235 T261 A262	I235-A237 PolarHBondContact O-N 3.06Å; A237-T261 HydrophobicContact CB-CG2 3.79Å; A237-A262 WeakPolarHBondContact O-CA 3.41Å
238	D	96.9	Very high	96.6	Very high	58 Å²	58	42 Å²	42	31%	0.31	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	12.6	177.3	74.7	-30	0	0	0	113.5	R213 A236 F240 V241	R213-D238 WeakPolarHBondContact CD-OD2 3.29Å; R213-D238 IonicContact CZ-OD2 3.73Å; R213-D238 IonicContact NE-OD2 2.7Å; R213-D238 IonicContact NH1-OD2 3.75Å; R213-D238 PolarHBondContact NH1-OD2 2.88Å; A236-D238 PolarHBondContact O-N 3.31Å; D238-F240 VanDerWaalsContact C-N 3.29Å; D238-F240 PolarHBondContact O-N 2.92Å; D238-V241 HydrophobicContact CB-CB 4.35Å; D238-V241 HydrophobicContact CB-CG2 3.91Å; D238-V241 WeakPolarHBondContact O-CB 3.26Å; D238-V241 PolarHBondContact O-N 2.89Å
239	A	97.9	Very high	96.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-47.9	-175.2	0	0	0	0	0	113.3	V211 I235 A236	V211-A239 HydrophobicContact CG1-CB 4.02Å; I235-A239 HydrophobicContact CG2-CB 4.02Å; A236-A239 HydrophobicContact CB-CB 4.21Å; A236-A239 WeakPolarHBondContact O-CB 3.48Å; A236-A239 PolarHBondContact O-N 2.75Å
240	F	97.7	Very high	96.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.6	-175.7	-52.9	-58.3	0	0	0	113.5	V211 F216 L225 L227 I235 D238 P242 L243 I249 L251 A262 I266 R269	V211-F240 HydrophobicContact CG1-CE1 4.2Å; F216-F240 HydrophobicContact CD2-CD1 4.18Å; F216-F240 AromaticContact CE2-CD1 3.89Å; F216-F240 HydrophobicContact CE2-CD1 3.89Å; F216-F240 AromaticContact CE2-CE1 3.82Å; F216-F240 HydrophobicContact CE2-CE1 3.82Å; L225-F240 HydrophobicContact CD2-CD1 3.96Å; L225-F240 HydrophobicContact CD2-CE1 3.89Å; L227-F240 HydrophobicContact CD1-CE1 3.79Å; L227-F240 HydrophobicContact CD1-CZ 4.15Å; I235-F240 HydrophobicContact CG2-CE2 4.03Å; I235-F240 HydrophobicContact CG2-CZ 4.23Å; D238-F240 VanDerWaalsContact C-N 3.29Å; D238-F240 PolarHBondContact O-N 2.92Å; F240-P242 VanDerWaalsContact C-N 3.32Å; F240-L243 HydrophobicContact CB-CD1 4.44Å; F240-L243 HydrophobicContact CD1-CD1 4.25Å; F240-L243 WeakPolarHBondContact O-CB 3.41Å; F240-L243 PolarHBondContact O-N 3.37Å; F240-I249 HydrophobicContact CD1-CD1 3.99Å; F240-I249 HydrophobicContact CD2-CD1 4.15Å; F240-I249 HydrophobicContact CE1-CD1 3.96Å; F240-I249 HydrophobicContact CE2-CD1 4.11Å; F240-I249 HydrophobicContact CG-CD1 4.09Å; F240-I249 HydrophobicContact CZ-CD1 4.02Å; F240-L251 HydrophobicContact CZ-CD2 4.18Å; F240-A262 HydrophobicContact CD2-CB 4.08Å; F240-A262 HydrophobicContact CE2-CB 4.06Å; F240-I266 HydrophobicContact CB-CD1 3.75Å; F240-I266 HydrophobicContact CB-CG2 3.97Å; F240-I266 HydrophobicContact CD2-CD1 4.03Å; F240-I266 HydrophobicContact CG-CD1 4.11Å; F240-R269 PolarHBondContact O-NH2 2.66Å
241	V	97	Very high	96.6	Very high	44 Å²	44	36.9 Å²	36.9	27%	0.267	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-42.2	-177	172.5	0	0	0	0	112.8	D238 L243 R265 R269	D238-V241 HydrophobicContact CB-CB 4.35Å; D238-V241 HydrophobicContact CB-CG2 3.91Å; D238-V241 WeakPolarHBondContact O-CB 3.26Å; D238-V241 PolarHBondContact O-N 2.89Å; V241-L243 PolarHBondContact O-N 2.94Å; V241-L243 VanDerWaalsContact O-N 3.12Å; V241-R265 HydrophobicContact CG2-CB 4.09Å; V241-R269 PolarHBondContact O-NH1 2.94Å
242	P	97.2	Very high	96.5	Very high	15 Å²	15	34 Å²	34	10%	0.097	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.8	178.9	-24.4	34.8	0	0	0	115.9	R213 F240 M244	R213-P242 HydrophobicContact CG-CG 3.45Å; R213-P242 VanDerWaalsContact CG-CG 3.45Å; F240-P242 VanDerWaalsContact C-N 3.32Å; P242-M244 VanDerWaalsContact C-N 3.29Å; P242-M244 PolarHBondContact O-N 3.32Å
243	L	97.3	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.195	C	C	.	.			trans	-80.2	72.6	-177.7	-57.2	174.5	0	0	0	110.5	F216 L219 L222 L225 F240 V241 L245 L246 R269	F216-L243 HydrophobicContact CB-CD1 4.25Å; F216-L243 HydrophobicContact CB-CD2 3.65Å; F216-L243 HydrophobicContact CB-CG 3.93Å; F216-L243 HydrophobicContact CD2-CD1 4.2Å; F216-L243 HydrophobicContact CG-CD1 4.14Å; F216-L243 HydrophobicContact CG-CD2 4.23Å; F216-L243 HydrophobicContact CG-CG 4.36Å; L219-L243 HydrophobicContact CB-CD2 3.86Å; L219-L243 WeakPolarHBondContact O-CD2 3.16Å; L222-L243 HydrophobicContact CB-CD2 3.84Å; L222-L243 HydrophobicContact CD2-CD1 4.16Å; L222-L243 HydrophobicContact CD2-CD2 3.79Å; L222-L243 HydrophobicContact CG-CD2 4.48Å; L225-L243 HydrophobicContact CD2-CD1 3.77Å; F240-L243 HydrophobicContact CB-CD1 4.44Å; F240-L243 HydrophobicContact CD1-CD1 4.25Å; F240-L243 WeakPolarHBondContact O-CB 3.41Å; F240-L243 PolarHBondContact O-N 3.37Å; V241-L243 PolarHBondContact O-N 2.94Å; V241-L243 VanDerWaalsContact O-N 3.12Å; L243-L245 VanDerWaalsContact C-N 3.3Å; L243-L245 PolarHBondContact O-N 2.75Å; L243-L246 HydrophobicContact CB-CB 3.87Å; L243-L246 HydrophobicContact CB-CD2 4.26Å; L243-L246 HydrophobicContact CB-CG 4.48Å; L243-L246 HydrophobicContact CD1-CD1 4.29Å; L243-L246 HydrophobicContact CD1-CD2 3.94Å; L243-L246 WeakPolarHBondContact O-CB 3.48Å; L243-L246 PolarHBondContact O-N 3.48Å; L243-R269 PolarHBondContact O-NH1 2.9Å; L243-R269 VanDerWaalsContact O-NH1 3.08Å; L243-R269 PolarHBondContact O-NH2 3.44Å
244	M	94.3	Very high	96.2	Very high	121 Å²	121	30.7 Å²	30.7	60%	0.596	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-32	-167.8	-63	-57.3	-70.2	0	0	114.4	P242	P242-M244 VanDerWaalsContact C-N 3.29Å; P242-M244 PolarHBondContact O-N 3.32Å
245	L	96.9	Very high	95.9	Very high	84 Å²	84	31.1 Å²	31.1	44%	0.44	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	4.5	-179.2	-59.3	-173.6	0	0	0	114	L222 L223 L243 K247	L222-L245 CarbonylContact O-C 3.57Å; L223-L245 HydrophobicContact CD2-CB 3.85Å; L223-L245 WeakPolarHBondContact CD2-O 3.39Å; L243-L245 VanDerWaalsContact C-N 3.3Å; L243-L245 PolarHBondContact O-N 2.75Å; L245-K247 WeakPolarHBondContact O-CG 3.2Å; L245-K247 PolarHBondContact O-N 3.15Å; L245-K247 VanDerWaalsContact O-N 3.16Å
246	L	97.8	Very high	95.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.			trans	-59.7	121.5	-173.7	-166.3	71.9	0	0	0	111.5	L222 L225 L243 H248 I249 I266 L270	L222-L246 HydrophobicContact CD2-CD1 4.42Å; L222-L246 VanDerWaalsContact O-CA 3.24Å; L222-L246 WeakPolarHBondContact O-CA 3.33Å; L222-L246 PolarHBondContact O-N 2.75Å; L222-L246 VanDerWaalsContact O-N 3.11Å; L225-L246 HydrophobicContact CB-CD1 3.92Å; L243-L246 HydrophobicContact CB-CB 3.87Å; L243-L246 HydrophobicContact CB-CD2 4.26Å; L243-L246 HydrophobicContact CB-CG 4.48Å; L243-L246 HydrophobicContact CD1-CD1 4.29Å; L243-L246 HydrophobicContact CD1-CD2 3.94Å; L243-L246 WeakPolarHBondContact O-CB 3.48Å; L243-L246 PolarHBondContact O-N 3.48Å; L246-H248 WeakPolarHBondContact CD1-O 3.36Å; L246-I249 HydrophobicContact CD2-CB 4.25Å; L246-I249 HydrophobicContact CD2-CD1 4.06Å; L246-I249 HydrophobicContact CD2-CG1 4.44Å; L246-I266 HydrophobicContact CD2-CD1 4.13Å; L246-L270 HydrophobicContact CD2-CD2 4.11Å; L246-L270 HydrophobicContact CG-CD2 4.07Å
247	K	97.4	Very high	95.3	Very high	74 Å²	74	36 Å²	36	32%	0.322	19%	0.194	S	C	.	.			trans	-109.1	-24.6	176.2	-61.1	-48.5	-173.7	174.3	0	112.6	L223 L245 R269 I271 S272	L223-K247 PolarHBondContact O-N 3.43Å; L245-K247 WeakPolarHBondContact O-CG 3.2Å; L245-K247 PolarHBondContact O-N 3.15Å; L245-K247 VanDerWaalsContact O-N 3.16Å; K247-R269 VanDerWaalsContact CD-O 3.26Å; K247-R269 WeakPolarHBondContact CD-O 3Å; K247-R269 PolarHBondContact NZ-O 3.02Å; K247-I271 HydrophobicContact CB-CB 4.32Å; K247-I271 HydrophobicContact CB-CD1 4.11Å; K247-I271 HydrophobicContact CB-CG1 4.27Å; K247-I271 HydrophobicContact CD-CD1 3.83Å; K247-I271 HydrophobicContact CD-CG1 4.08Å; K247-I271 HydrophobicContact CG-CD1 3.99Å; K247-I271 HydrophobicContact CG-CG1 4.5Å; K247-I271 PolarHBondContact O-N 2.81Å; K247-S272 PolarHBondContact O-N 2.82Å
248	H	97.9	Very high	95.1	Very high	31 Å²	31	35.8 Å²	35.8	14%	0.144	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	119.9	-163.5	-69.9	-45.4	0	0	0	108.9	M1 L223 A224 L225 L246 S272	M1-H248 HydrophobicContact CE-CB 3.25Å; L223-H248 PolarHBondContact O-N 3.41Å; A224-H248 CarbonylContact C-O 3.07Å; A224-H248 VanDerWaalsContact CA-O 3.29Å; A224-H248 WeakPolarHBondContact CA-O 3.43Å; A224-H248 HydrophobicContact CB-CB 3.63Å; L225-H248 PolarHBondContact N-O 2.92Å; L246-H248 WeakPolarHBondContact CD1-O 3.36Å; H248-S272 WeakPolarHBondContact CA-O 3.34Å; H248-S272 WeakPolarHBondContact ND1-CB 3.4Å
249	I	97.4	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.1	176.1	-160.6	172.6	0	0	0	111.9	L225 F240 L246 L251 L263 I266 L270 S272 L273 D274	L225-I249 HydrophobicContact CB-CG1 4.41Å; L225-I249 HydrophobicContact CD2-CD1 4.47Å; L225-I249 CarbonylContact O-C 3.36Å; L225-I249 VanDerWaalsContact O-CA 3.29Å; L225-I249 WeakPolarHBondContact O-CA 3.43Å; F240-I249 HydrophobicContact CD1-CD1 3.99Å; F240-I249 HydrophobicContact CD2-CD1 4.15Å; F240-I249 HydrophobicContact CE1-CD1 3.96Å; F240-I249 HydrophobicContact CE2-CD1 4.11Å; F240-I249 HydrophobicContact CG-CD1 4.09Å; F240-I249 HydrophobicContact CZ-CD1 4.02Å; L246-I249 HydrophobicContact CD2-CB 4.25Å; L246-I249 HydrophobicContact CD2-CD1 4.06Å; L246-I249 HydrophobicContact CD2-CG1 4.44Å; I249-L251 HydrophobicContact CD1-CD1 3.79Å; I249-L251 HydrophobicContact CD1-CD2 4.21Å; I249-L251 HydrophobicContact CD1-CG 4.18Å; I249-L251 HydrophobicContact CG1-CD1 3.99Å; I249-L251 HydrophobicContact CG1-CD2 4.23Å; I249-L251 HydrophobicContact CG1-CG 3.96Å; I249-L251 HydrophobicContact CG2-CD1 4.21Å; I249-L263 HydrophobicContact CG2-CD2 4.34Å; I249-I266 HydrophobicContact CD1-CD1 4.1Å; I249-L270 HydrophobicContact CB-CD2 4.45Å; I249-L270 HydrophobicContact CG2-CD1 3.67Å; I249-L270 HydrophobicContact CG2-CD2 4.14Å; I249-S272 PolarHBondContact N-O 3.32Å; I249-S272 VanDerWaalsContact N-O 3.07Å; I249-L273 HydrophobicContact CG2-CD1 3.47Å; I249-L273 VanDerWaalsContact CG2-CD1 3.47Å; I249-D274 PolarHBondContact O-N 3.12Å
250	G	96.7	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.6	175.7	0	0	0	0	0	111.7	L225 L227 S228	L225-G250 PolarHBondContact O-N 3.28Å; L227-G250 PolarHBondContact N-O 3.29Å; S228-G250 PolarHBondContact N-O 3.3Å
251	L	95.3	Very high	94.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.			trans	-137.3	23.4	-170.6	-64.3	169.5	0	0	0	111.7	L227 S228 F240 I249 I254 L259 L263 D274	L227-L251 HydrophobicContact CB-CD2 4.07Å; L227-L251 HydrophobicContact CD1-CD2 4.22Å; S228-L251 PolarHBondContact OG-N 3.42Å; F240-L251 HydrophobicContact CZ-CD2 4.18Å; I249-L251 HydrophobicContact CD1-CD1 3.79Å; I249-L251 HydrophobicContact CD1-CD2 4.21Å; I249-L251 HydrophobicContact CD1-CG 4.18Å; I249-L251 HydrophobicContact CG1-CD1 3.99Å; I249-L251 HydrophobicContact CG1-CD2 4.23Å; I249-L251 HydrophobicContact CG1-CG 3.96Å; I249-L251 HydrophobicContact CG2-CD1 4.21Å; L251-I254 HydrophobicContact CB-CD1 3.77Å; L251-I254 HydrophobicContact CD2-CD1 3.44Å; L251-I254 VanDerWaalsContact CD2-CD1 3.44Å; L251-I254 HydrophobicContact CG-CD1 4.2Å; L251-I254 WeakPolarHBondContact O-CB 3.46Å; L251-I254 WeakPolarHBondContact O-CG1 3.38Å; L251-I254 PolarHBondContact O-N 3.49Å; L251-L259 HydrophobicContact CD1-CD1 3.62Å; L251-L259 HydrophobicContact CG-CD1 4.46Å; L251-L263 HydrophobicContact CD1-CD1 4.25Å; L251-L263 HydrophobicContact CD1-CD2 3.65Å; L251-L263 HydrophobicContact CD1-CG 4.15Å; L251-D274 CarbonylContact C-O 3.32Å; L251-D274 WeakPolarHBondContact CA-O 3.32Å; L251-D274 WeakPolarHBondContact CB-O 3.35Å; L251-D274 PolarHBondContact N-O 3.06Å
252	A	93.9	Very high	94.2	Very high	6 Å²	6	34.9 Å²	34.9	5%	0.05	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	140.2	-179.3	0	0	0	0	0	111.8	S228 H229 I254 S276	S228-A252 CarbonylContact C-O 3.6Å; S228-A252 WeakPolarHBondContact CA-O 3.45Å; S228-A252 WeakPolarHBondContact CB-O 3.46Å; S228-A252 WeakPolarHBondContact OG-CB 3.21Å; S228-A252 PolarHBondContact OG-N 3.31Å; H229-A252 PolarHBondContact N-O 3.08Å; A252-I254 VanDerWaalsContact C-N 3.28Å; A252-I254 PolarHBondContact O-N 3.26Å; A252-S276 CarbonylContact C-O 3.52Å; A252-S276 WeakPolarHBondContact CA-O 3.37Å
253	G	93	Very high	94	Very high	19 Å²	19	34.2 Å²	34.2	20%	0.196	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	14.9	178.9	0	0	0	0	0	115.2	S276	G253-S276 PolarHBondContact N-O 2.78Å
254	I	91.3	Very high	93.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.			trans	-90.5	121.7	174.7	-65.4	171.5	0	0	0	109.8	L227 L232 I235 L251 A252 L259 A278	L227-I254 HydrophobicContact CB-CD1 4.47Å; L232-I254 HydrophobicContact CB-CG2 4.12Å; L232-I254 HydrophobicContact CD1-CD1 3.49Å; L232-I254 VanDerWaalsContact CD1-CD1 3.49Å; L232-I254 HydrophobicContact CD1-CG1 3.97Å; I235-I254 HydrophobicContact CD1-CG2 3.87Å; L251-I254 HydrophobicContact CB-CD1 3.77Å; L251-I254 HydrophobicContact CD2-CD1 3.44Å; L251-I254 VanDerWaalsContact CD2-CD1 3.44Å; L251-I254 HydrophobicContact CG-CD1 4.2Å; L251-I254 WeakPolarHBondContact O-CB 3.46Å; L251-I254 WeakPolarHBondContact O-CG1 3.38Å; L251-I254 PolarHBondContact O-N 3.49Å; A252-I254 VanDerWaalsContact C-N 3.28Å; A252-I254 PolarHBondContact O-N 3.26Å; I254-L259 HydrophobicContact CB-CD2 4.32Å; I254-L259 HydrophobicContact CG2-CD2 4.06Å; I254-A278 WeakPolarHBondContact O-CA 3.18Å; I254-A278 WeakPolarHBondContact O-CB 3.3Å
255	L	88.1	Confident	93.8	Very high	117 Å²	117	40.3 Å²	40.3	61%	0.613	20%	0.199	S	C	*	.			trans	-105.3	12.8	-178.1	-58.5	178.6	0	0	0	113.4	H257 N277	L255-H257 PolarHBondContact O-N 3.46Å; L255-N277 WeakPolarHBondContact CD2-O 3.42Å
256	S	90.8	Very high	93.6	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	18%	0.179	C	C	.	.			trans	-66.5	128	179.4	-178.8	0	0	0	0	111.3	V233 D258 L259	V233-S256 WeakPolarHBondContact O-CB 3.44Å; V233-S256 PolarHBondContact O-OG 3.24Å; S256-D258 PolarHBondContact O-N 3.35Å; S256-D258 PolarHBondContact OG-N 2.62Å; S256-L259 VanDerWaalsContact O-CB 3.27Å; S256-L259 WeakPolarHBondContact O-CB 3.49Å; S256-L259 PolarHBondContact O-N 3.24Å
257	H	90.3	Very high	93.3	Very high	136 Å²	136	36.9 Å²	36.9	63%	0.63	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.8	174	68.7	-70.6	0	0	0	113.6	L255 L259 P260	L255-H257 PolarHBondContact O-N 3.46Å; H257-L259 VanDerWaalsContact C-N 3.31Å; H257-P260 WeakPolarHBondContact O-CD 3.41Å
258	D	92.3	Very high	93	Very high	41 Å²	41	40.5 Å²	40.5	22%	0.219	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-16.1	179.8	-57.8	-50.2	0	0	0	113.2	I235 S256 T261 A262	I235-D258 HydrophobicContact CB-CB 4.09Å; I235-D258 PolarHBondContact N-OD2 2.97Å; I235-D258 WeakPolarHBondContact O-CB 3.45Å; S256-D258 PolarHBondContact O-N 3.35Å; S256-D258 PolarHBondContact OG-N 2.62Å; D258-T261 PolarHBondContact O-N 2.91Å; D258-A262 PolarHBondContact O-N 3.07Å
259	L	92.4	Very high	92.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-55.4	-45.5	-172.6	177.2	61.8	0	0	0	114.1	I235 L251 I254 S256 H257 T261 A262 L263 A278 V280	I235-L259 HydrophobicContact CD1-CB 4.21Å; I235-L259 HydrophobicContact CD1-CD1 4.04Å; L251-L259 HydrophobicContact CD1-CD1 3.62Å; L251-L259 HydrophobicContact CG-CD1 4.46Å; I254-L259 HydrophobicContact CB-CD2 4.32Å; I254-L259 HydrophobicContact CG2-CD2 4.06Å; S256-L259 VanDerWaalsContact O-CB 3.27Å; S256-L259 WeakPolarHBondContact O-CB 3.49Å; S256-L259 PolarHBondContact O-N 3.24Å; H257-L259 VanDerWaalsContact C-N 3.31Å; L259-T261 VanDerWaalsContact C-N 3.34Å; L259-T261 PolarHBondContact O-N 3.26Å; L259-A262 PolarHBondContact O-N 3.5Å; L259-L263 HydrophobicContact CD1-CD1 3.87Å; L259-L263 HydrophobicContact CD1-CG 3.94Å; L259-L263 HydrophobicContact CG-CD1 3.97Å; L259-L263 HydrophobicContact CG-CG 4.43Å; L259-L263 PolarHBondContact O-N 3.29Å; L259-A278 HydrophobicContact CD2-CB 4Å; L259-V280 HydrophobicContact CB-CG2 4.44Å; L259-V280 HydrophobicContact CD2-CG2 3.6Å; L259-V280 HydrophobicContact CG-CG2 3.89Å
260	P	91.2	Very high	92.5	Very high	25 Å²	25	41.2 Å²	41.2	16%	0.162	19%	0.194	C	C	.	.	H	α-helix	trans	-57.2	-45.1	179.1	-23.3	32.7	0	0	0	112.9	H257 A262 L263 Q264 V280 L285	H257-P260 WeakPolarHBondContact O-CD 3.41Å; P260-A262 VanDerWaalsContact C-N 3.35Å; P260-A262 PolarHBondContact O-N 2.85Å; P260-L263 PolarHBondContact O-N 3.48Å; P260-Q264 WeakPolarHBondContact O-CG 3.11Å; P260-Q264 PolarHBondContact O-N 3.13Å; P260-V280 HydrophobicContact CG-CG2 4.19Å; P260-L285 HydrophobicContact CB-CD2 4.08Å; P260-L285 WeakPolarHBondContact O-CD2 3.18Å
261	T	92.6	Very high	92.5	Very high	60 Å²	60	43.4 Å²	43.4	37%	0.368	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-40.6	-178.7	-49.3	0	0	0	0	111.4	A237 D258 L259	A237-T261 HydrophobicContact CB-CG2 3.79Å; D258-T261 PolarHBondContact O-N 2.91Å; L259-T261 VanDerWaalsContact C-N 3.34Å; L259-T261 PolarHBondContact O-N 3.26Å
262	A	94.6	Very high	92.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-67.1	-38.6	176.5	0	0	0	0	0	112.5	I235 A237 F240 D258 L259 P260	I235-A262 HydrophobicContact CG2-CB 3.77Å; A237-A262 WeakPolarHBondContact O-CA 3.41Å; F240-A262 HydrophobicContact CD2-CB 4.08Å; F240-A262 HydrophobicContact CE2-CB 4.06Å; D258-A262 PolarHBondContact O-N 3.07Å; L259-A262 PolarHBondContact O-N 3.5Å; P260-A262 VanDerWaalsContact C-N 3.35Å; P260-A262 PolarHBondContact O-N 2.85Å
263	L	93.4	Very high	92.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.9	-41.8	177.5	-79.8	176.5	0	0	0	112.9	I249 L251 L259 P260 R265 I266 L267 L273 V275 L285	I249-L263 HydrophobicContact CG2-CD2 4.34Å; L251-L263 HydrophobicContact CD1-CD1 4.25Å; L251-L263 HydrophobicContact CD1-CD2 3.65Å; L251-L263 HydrophobicContact CD1-CG 4.15Å; L259-L263 HydrophobicContact CD1-CD1 3.87Å; L259-L263 HydrophobicContact CD1-CG 3.94Å; L259-L263 HydrophobicContact CG-CD1 3.97Å; L259-L263 HydrophobicContact CG-CG 4.43Å; L259-L263 PolarHBondContact O-N 3.29Å; P260-L263 PolarHBondContact O-N 3.48Å; L263-R265 PolarHBondContact O-N 3.29Å; L263-R265 VanDerWaalsContact O-N 3.13Å; L263-I266 HydrophobicContact CD2-CD1 4.29Å; L263-I266 HydrophobicContact CD2-CG1 4.44Å; L263-I266 WeakPolarHBondContact O-CG1 3.26Å; L263-I266 PolarHBondContact O-N 2.76Å; L263-L267 PolarHBondContact O-N 3.44Å; L263-L273 HydrophobicContact CD1-CD1 4.4Å; L263-L273 HydrophobicContact CD2-CD1 3.89Å; L263-V275 HydrophobicContact CD1-CG1 3.98Å; L263-L285 HydrophobicContact CB-CD1 4.33Å; L263-L285 HydrophobicContact CB-CD2 3.91Å; L263-L285 HydrophobicContact CD1-CD1 4.11Å
264	Q	92.4	Very high	92.7	Very high	73 Å²	73	43.8 Å²	43.8	34%	0.341	20%	0.202	S	C	.	.	H	α-helix	trans	-51.1	-38.3	176.8	-81.6	172.6	-5.5	0	0	112.1	P260 I266 T284 L285	P260-Q264 WeakPolarHBondContact O-CG 3.11Å; P260-Q264 PolarHBondContact O-N 3.13Å; Q264-I266 PolarHBondContact O-N 2.85Å; Q264-T284 PolarHBondContact NE2-O 2.89Å; Q264-L285 HydrophobicContact CG-CD2 4.11Å
265	R	93.2	Very high	92.7	Very high	177 Å²	177	43.8 Å²	43.8	67%	0.668	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.1	-179.4	-64.1	-61.2	172	116.1	-4.1	114.7	V241 L263	V241-R265 HydrophobicContact CG2-CB 4.09Å; L263-R265 PolarHBondContact O-N 3.29Å; L263-R265 VanDerWaalsContact O-N 3.13Å
266	I	93.6	Very high	92.8	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.015	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-9.8	-171.1	72.1	164.1	0	0	0	113.5	F240 L246 I249 L263 Q264 R268 R269 L270	F240-I266 HydrophobicContact CB-CD1 3.75Å; F240-I266 HydrophobicContact CB-CG2 3.97Å; F240-I266 HydrophobicContact CD2-CD1 4.03Å; F240-I266 HydrophobicContact CG-CD1 4.11Å; L246-I266 HydrophobicContact CD2-CD1 4.13Å; I249-I266 HydrophobicContact CD1-CD1 4.1Å; L263-I266 HydrophobicContact CD2-CD1 4.29Å; L263-I266 HydrophobicContact CD2-CG1 4.44Å; L263-I266 WeakPolarHBondContact O-CG1 3.26Å; L263-I266 PolarHBondContact O-N 2.76Å; Q264-I266 PolarHBondContact O-N 2.85Å; I266-R268 VanDerWaalsContact C-N 3.28Å; I266-R268 PolarHBondContact O-N 2.9Å; I266-R269 WeakPolarHBondContact O-CG 3.49Å; I266-R269 PolarHBondContact O-N 3.24Å; I266-L270 HydrophobicContact CD1-CD1 4.09Å; I266-L270 HydrophobicContact CD1-CD2 4.42Å; I266-L270 HydrophobicContact CG1-CD1 4.11Å
267	L	90.9	Very high	92.7	Very high	8 Å²	8	41 Å²	41	4%	0.042	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-55.6	-40.7	-170.7	-165.8	75.1	0	0	0	113.3	L263 R269 L270 L273 L285 I286 L294	L263-L267 PolarHBondContact O-N 3.44Å; L267-R269 PolarHBondContact O-N 2.99Å; L267-R269 VanDerWaalsContact O-N 3.08Å; L267-L270 PolarHBondContact O-N 2.69Å; L267-L270 VanDerWaalsContact O-N 3.1Å; L267-L273 HydrophobicContact CD1-CD2 4.04Å; L267-L285 HydrophobicContact CD1-CD1 4.32Å; L267-L285 HydrophobicContact CD2-CB 3.77Å; L267-L285 WeakPolarHBondContact CD2-O 3.48Å; L267-I286 HydrophobicContact CD2-CG1 3.84Å; L267-L294 HydrophobicContact CD1-CD1 3.8Å; L267-L294 HydrophobicContact CG-CD1 4.39Å
268	R	91	Very high	92.5	Very high	151 Å²	151	34.6 Å²	34.6	57%	0.57	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-63.1	-16.9	-175.7	-62.9	-175.4	-175.5	-174.9	1.9	114.5	I266 E287 T293	I266-R268 VanDerWaalsContact C-N 3.28Å; I266-R268 PolarHBondContact O-N 2.9Å; R268-E287 IonicContact CZ-OE2 3.44Å; R268-E287 IonicContact NH2-OE2 2.64Å; R268-E287 PolarHBondContact NH2-OE2 3.15Å; R268-T293 WeakPolarHBondContact O-CG2 3.27Å; R268-T293 PolarHBondContact O-OG1 3.35Å
269	R	91.9	Very high	91.8	Very high	46 Å²	46	36.5 Å²	36.5	17%	0.174	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-101.3	-10.2	177.6	56.6	172.3	177.2	-158.4	9.2	114.1	F240 V241 L243 K247 I266 L267	F240-R269 PolarHBondContact O-NH2 2.66Å; V241-R269 PolarHBondContact O-NH1 2.94Å; L243-R269 PolarHBondContact O-NH1 2.9Å; L243-R269 VanDerWaalsContact O-NH1 3.08Å; L243-R269 PolarHBondContact O-NH2 3.44Å; K247-R269 VanDerWaalsContact CD-O 3.26Å; K247-R269 WeakPolarHBondContact CD-O 3Å; K247-R269 PolarHBondContact NZ-O 3.02Å; I266-R269 WeakPolarHBondContact O-CG 3.49Å; I266-R269 PolarHBondContact O-N 3.24Å; L267-R269 PolarHBondContact O-N 2.99Å; L267-R269 VanDerWaalsContact O-N 3.08Å
270	L	94.6	Very high	91.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.			trans	-82.4	137.7	-175.7	-63.6	178.2	0	0	0	111.6	L246 I249 I266 L267 L273 T293 L294	L246-L270 HydrophobicContact CD2-CD2 4.11Å; L246-L270 HydrophobicContact CG-CD2 4.07Å; I249-L270 HydrophobicContact CB-CD2 4.45Å; I249-L270 HydrophobicContact CG2-CD1 3.67Å; I249-L270 HydrophobicContact CG2-CD2 4.14Å; I266-L270 HydrophobicContact CD1-CD1 4.09Å; I266-L270 HydrophobicContact CD1-CD2 4.42Å; I266-L270 HydrophobicContact CG1-CD1 4.11Å; L267-L270 PolarHBondContact O-N 2.69Å; L267-L270 VanDerWaalsContact O-N 3.1Å; L270-L273 HydrophobicContact CD1-CD1 4.45Å; L270-T293 CarbonylContact O-C 3.54Å; L270-T293 VanDerWaalsContact O-C 3.26Å; L270-T293 PolarHBondContact O-OG1 2.52Å; L270-L294 HydrophobicContact CB-CD2 3.72Å; L270-L294 WeakPolarHBondContact O-CD2 3.38Å; L270-L294 PolarHBondContact O-N 2.94Å
271	I	95.5	Very high	90.8	Very high	46 Å²	46	39.7 Å²	39.7	24%	0.236	19%	0.188	C	C	.	.	S	Bend	trans	-98.7	-35.8	171.2	-64.7	174.5	0	0	0	110.2	K247 E295 S296	K247-I271 HydrophobicContact CB-CB 4.32Å; K247-I271 HydrophobicContact CB-CD1 4.11Å; K247-I271 HydrophobicContact CB-CG1 4.27Å; K247-I271 HydrophobicContact CD-CD1 3.83Å; K247-I271 HydrophobicContact CD-CG1 4.08Å; K247-I271 HydrophobicContact CG-CD1 3.99Å; K247-I271 HydrophobicContact CG-CG1 4.5Å; K247-I271 PolarHBondContact O-N 2.81Å; I271-E295 HydrophobicContact CG2-CB 3.9Å; I271-E295 HydrophobicContact CG2-CG 4.06Å; I271-E295 PolarHBondContact O-N 3.34Å; I271-S296 PolarHBondContact O-N 3.38Å
272	S	96.7	Very high	90.1	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.3	177.5	-167.7	0	0	0	0	112.7	M1 K247 H248 I249 S296	M1-S272 PolarHBondContact SD-OG 2.69Å; K247-S272 PolarHBondContact O-N 2.82Å; H248-S272 WeakPolarHBondContact CA-O 3.34Å; H248-S272 WeakPolarHBondContact ND1-CB 3.4Å; I249-S272 PolarHBondContact N-O 3.32Å; I249-S272 VanDerWaalsContact N-O 3.07Å; S272-S296 VanDerWaalsContact CA-O 3.26Å; S272-S296 WeakPolarHBondContact CA-O 3.36Å; S272-S296 WeakPolarHBondContact OG-CB 3.42Å; S272-S296 PolarHBondContact OG-OG 2.93Å
273	L	94.8	Very high	89.1	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.8	178.9	176.8	62.5	0	0	0	110.4	I249 L263 L267 L270 V275 L285 L294 S296 L297 V298	I249-L273 HydrophobicContact CG2-CD1 3.47Å; I249-L273 VanDerWaalsContact CG2-CD1 3.47Å; L263-L273 HydrophobicContact CD1-CD1 4.4Å; L263-L273 HydrophobicContact CD2-CD1 3.89Å; L267-L273 HydrophobicContact CD1-CD2 4.04Å; L270-L273 HydrophobicContact CD1-CD1 4.45Å; L273-V275 HydrophobicContact CD1-CG1 3.69Å; L273-V275 HydrophobicContact CD2-CG1 4.12Å; L273-V275 HydrophobicContact CG-CG1 3.84Å; L273-L285 HydrophobicContact CD2-CD1 4.44Å; L273-L294 HydrophobicContact CB-CD1 4.41Å; L273-L294 HydrophobicContact CB-CD2 3.79Å; L273-L294 HydrophobicContact CD2-CD1 4.28Å; L273-S296 PolarHBondContact N-O 2.85Å; L273-L297 HydrophobicContact CB-CD1 4.32Å; L273-L297 HydrophobicContact CD2-CD1 4.3Å; L273-L297 HydrophobicContact CG-CD1 4.36Å; L273-L297 WeakPolarHBondContact O-CA 3.47Å; L273-V298 PolarHBondContact O-N 3.39Å
274	D	94.3	Very high	88.4	Confident	28 Å²	28	42.7 Å²	42.7	15%	0.15	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.2	167	-173.9	-6.8	0	0	0	110.1	I249 L251 S276 V298	I249-D274 PolarHBondContact O-N 3.12Å; L251-D274 CarbonylContact C-O 3.32Å; L251-D274 WeakPolarHBondContact CA-O 3.32Å; L251-D274 WeakPolarHBondContact CB-O 3.35Å; L251-D274 PolarHBondContact N-O 3.06Å; D274-S276 VanDerWaalsContact OD1-CB 3.26Å; D274-S276 WeakPolarHBondContact OD1-CB 3.49Å; D274-S276 PolarHBondContact OD1-N 3.35Å; D274-S276 PolarHBondContact OD1-OG 2.94Å; D274-V298 CarbonylContact C-O 3.26Å; D274-V298 WeakPolarHBondContact CA-O 3.37Å; D274-V298 HydrophobicContact CB-CB 3.93Å; D274-V298 HydrophobicContact CB-CG2 4.45Å
275	V	92.1	Very high	87.9	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.194	C	C	.	.			trans	-127.4	27.4	178.3	-71.1	0	0	0	0	111	L263 L273 N277 A278 L297 V298 A299 T303	L263-V275 HydrophobicContact CD1-CG1 3.98Å; L273-V275 HydrophobicContact CD1-CG1 3.69Å; L273-V275 HydrophobicContact CD2-CG1 4.12Å; L273-V275 HydrophobicContact CG-CG1 3.84Å; V275-N277 PolarHBondContact O-N 2.67Å; V275-A278 HydrophobicContact CB-CB 4.12Å; V275-A278 WeakPolarHBondContact O-CB 3.37Å; V275-A278 PolarHBondContact O-N 3.09Å; V275-L297 HydrophobicContact CG2-CD1 4.44Å; V275-V298 PolarHBondContact N-O 2.7Å; V275-A299 HydrophobicContact CG2-CB 4.09Å; V275-T303 WeakPolarHBondContact O-CG2 3.36Å
276	S	90.6	Very high	87.2	Confident	8 Å²	8	31.8 Å²	31.8	6%	0.056	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	131	-179.5	-60.7	0	0	0	0	111.7	A252 G253 D274 A278 V298 Q300	A252-S276 CarbonylContact C-O 3.52Å; A252-S276 WeakPolarHBondContact CA-O 3.37Å; G253-S276 PolarHBondContact N-O 2.78Å; D274-S276 VanDerWaalsContact OD1-CB 3.26Å; D274-S276 WeakPolarHBondContact OD1-CB 3.49Å; D274-S276 PolarHBondContact OD1-N 3.35Å; D274-S276 PolarHBondContact OD1-OG 2.94Å; S276-A278 PolarHBondContact O-N 2.8Å; S276-A278 VanDerWaalsContact O-N 3.12Å; S276-V298 VanDerWaalsContact OG-CG1 3.29Å; S276-V298 WeakPolarHBondContact OG-CG1 3.06Å; S276-Q300 CarbonylContact C-O 3.46Å; S276-Q300 WeakPolarHBondContact CA-O 3.32Å; S276-Q300 PolarHBondContact OG-N 3.43Å
277	N	88.9	Confident	86.4	Confident	54 Å²	54	38 Å²	38	29%	0.289	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	28.8	-178.7	-167.5	51.1	0	0	0	113.5	L255 V275 Q300 V301 K302	L255-N277 WeakPolarHBondContact CD2-O 3.42Å; V275-N277 PolarHBondContact O-N 2.67Å; N277-Q300 PolarHBondContact N-O 3.36Å; N277-V301 WeakPolarHBondContact CA-O 3.44Å; N277-V301 PolarHBondContact N-O 2.9Å; N277-K302 WeakPolarHBondContact OD1-CD 3.39Å
278	A	86.5	Confident	85.7	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	23%	0.226	C	C	.	.			trans	-96.6	154.4	170.5	0	0	0	0	0	111.2	I254 L259 V275 S276 V280	I254-A278 WeakPolarHBondContact O-CA 3.18Å; I254-A278 WeakPolarHBondContact O-CB 3.3Å; L259-A278 HydrophobicContact CD2-CB 4Å; V275-A278 HydrophobicContact CB-CB 4.12Å; V275-A278 WeakPolarHBondContact O-CB 3.37Å; V275-A278 PolarHBondContact O-N 3.09Å; S276-A278 PolarHBondContact O-N 2.8Å; S276-A278 VanDerWaalsContact O-N 3.12Å; A278-V280 VanDerWaalsContact C-N 3.29Å; A278-V280 HydrophobicContact CB-CG2 4.29Å; A278-V280 PolarHBondContact O-N 3.49Å; A278-V280 VanDerWaalsContact O-N 3.07Å
279	S	77.5	Confident	84.9	Confident	81 Å²	81	43.8 Å²	43.8	57%	0.566	23%	0.228	S	C	*	.	S	Bend	trans	-85.1	67.2	176.6	-174.3	0	0	0	0	111.2
280	V	81.4	Confident	84.1	Confident	7 Å²	7	43.6 Å²	43.6	4%	0.042	24%	0.24	C	C	.	.			trans	-135.8	136	-175.3	176.4	0	0	0	0	111.2	L259 P260 A278 L285	L259-V280 HydrophobicContact CB-CG2 4.44Å; L259-V280 HydrophobicContact CD2-CG2 3.6Å; L259-V280 HydrophobicContact CG-CG2 3.89Å; P260-V280 HydrophobicContact CG-CG2 4.19Å; A278-V280 VanDerWaalsContact C-N 3.29Å; A278-V280 HydrophobicContact CB-CG2 4.29Å; A278-V280 PolarHBondContact O-N 3.49Å; A278-V280 VanDerWaalsContact O-N 3.07Å; V280-L285 HydrophobicContact CG1-CD1 3.8Å; V280-L285 HydrophobicContact CG1-CD2 4.14Å; V280-L285 HydrophobicContact CG1-CG 4.07Å
281	H	80	Confident	83.5	Confident	84 Å²	84	46 Å²	46	39%	0.389	26%	0.255	S	S	.	.			trans	-98.3	129.3	165.5	-64	-88.8	0	0	0	109	T284 D304	H281-T284 HydrophobicContact CB-CG2 3.9Å; H281-T284 PolarHBondContact O-N 2.79Å; H281-T284 PolarHBondContact O-OG1 3.01Å; H281-D304 WeakPolarHBondContact CE1-CB 3.47Å; H281-D304 IonicContact CE1-OD2 2.82Å; H281-D304 PolarHBondContact CE1-OD2 3.09Å; H281-D304 WeakPolarHBondContact ND1-CB 3.21Å; H281-D304 IonicContact ND1-OD2 3.35Å; H281-D304 PolarHBondContact ND1-OD2 2.81Å
282	I	78.3	Confident	82.9	Confident	7 Å²	7	44 Å²	44	4%	0.036	25%	0.245	C	C	.	.	H	α-helix	trans	-71.1	-34.5	-175.4	-74.6	155.8	0	0	0	112.1	T284 L285 I286 L297 A299 L305 D309 L313	I282-T284 PolarHBondContact O-N 3.37Å; I282-L285 WeakPolarHBondContact O-CB 3.37Å; I282-L285 PolarHBondContact O-N 3.41Å; I282-I286 HydrophobicContact CG2-CD1 3.88Å; I282-I286 PolarHBondContact O-N 3.28Å; I282-L297 HydrophobicContact CD1-CD1 4.08Å; I282-L297 HydrophobicContact CD1-CD2 3.54Å; I282-L297 HydrophobicContact CD1-CG 4.36Å; I282-A299 HydrophobicContact CD1-CB 4.3Å; I282-L305 HydrophobicContact CD1-CD1 4.39Å; I282-L305 HydrophobicContact CD1-CD2 3.48Å; I282-L305 VanDerWaalsContact CD1-CD2 3.48Å; I282-L305 HydrophobicContact CD1-CG 3.94Å; I282-D309 HydrophobicContact CB-CB 4.08Å; I282-D309 HydrophobicContact CG2-CB 4.22Å; I282-L313 HydrophobicContact CG2-CD1 4.25Å
283	S	73.6	Confident	82.5	Confident	48 Å²	48	46.8 Å²	46.8	34%	0.336	26%	0.262	S	S	.	.	H	α-helix	trans	-55.1	-36.9	174.1	33.6	0	0	0	0	112.8	L285 I286 D309	S283-L285 PolarHBondContact O-N 2.71Å; S283-I286 PolarHBondContact O-N 3.35Å; S283-D309 WeakPolarHBondContact CA-OD1 3.42Å; S283-D309 WeakPolarHBondContact CB-OD1 3.31Å; S283-D309 PolarHBondContact N-OD1 3.44Å; S283-D309 PolarHBondContact OG-OD1 2.76Å
284	T	78.1	Confident	82.4	Confident	70 Å²	70	46.8 Å²	46.8	43%	0.429	26%	0.262	S	S	.	.	H	α-helix	trans	-71.5	-18.2	179.8	68.3	0	0	0	0	112.1	Q264 H281 I282	Q264-T284 PolarHBondContact NE2-O 2.89Å; H281-T284 HydrophobicContact CB-CG2 3.9Å; H281-T284 PolarHBondContact O-N 2.79Å; H281-T284 PolarHBondContact O-OG1 3.01Å; I282-T284 PolarHBondContact O-N 3.37Å
285	L	82.2	Confident	82.4	Confident	6 Å²	6	50 Å²	50	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-83.2	-24.4	176.3	-51.7	-179.4	0	0	0	112.7	P260 L263 Q264 L267 L273 V280 I282 S283	P260-L285 HydrophobicContact CB-CD2 4.08Å; P260-L285 WeakPolarHBondContact O-CD2 3.18Å; L263-L285 HydrophobicContact CB-CD1 4.33Å; L263-L285 HydrophobicContact CB-CD2 3.91Å; L263-L285 HydrophobicContact CD1-CD1 4.11Å; Q264-L285 HydrophobicContact CG-CD2 4.11Å; L267-L285 HydrophobicContact CD1-CD1 4.32Å; L267-L285 HydrophobicContact CD2-CB 3.77Å; L267-L285 WeakPolarHBondContact CD2-O 3.48Å; L273-L285 HydrophobicContact CD2-CD1 4.44Å; V280-L285 HydrophobicContact CG1-CD1 3.8Å; V280-L285 HydrophobicContact CG1-CD2 4.14Å; V280-L285 HydrophobicContact CG1-CG 4.07Å; I282-L285 WeakPolarHBondContact O-CB 3.37Å; I282-L285 PolarHBondContact O-N 3.41Å; S283-L285 PolarHBondContact O-N 2.71Å
286	I	79.1	Confident	82.5	Confident	14 Å²	14	51 Å²	51	7%	0.072	28%	0.282	C	S	.	.			trans	-101.1	108.5	-172.9	-57.2	170.1	0	0	0	109.8	L267 I282 S283 R288 N312 L313	L267-I286 HydrophobicContact CD2-CG1 3.84Å; I282-I286 HydrophobicContact CG2-CD1 3.88Å; I282-I286 PolarHBondContact O-N 3.28Å; S283-I286 PolarHBondContact O-N 3.35Å; I286-R288 WeakPolarHBondContact CG2-O 3.4Å; I286-N312 HydrophobicContact CD1-CB 3.9Å; I286-N312 HydrophobicContact CG2-CB 4.37Å; I286-L313 HydrophobicContact CD1-CD2 3.58Å; I286-L313 HydrophobicContact CD1-CG 4.12Å
287	E	75.9	Confident	82.6	Confident	135 Å²	135	50.6 Å²	50.6	63%	0.631	28%	0.28	S	S	*	.	S	Bend	trans	-69.5	-33.5	179.8	-65.8	174.2	179.7	0	0	113.4	R268	R268-E287 IonicContact CZ-OE2 3.44Å; R268-E287 IonicContact NH2-OE2 2.64Å; R268-E287 PolarHBondContact NH2-OE2 3.15Å
288	R	77.1	Confident	82.8	Confident	187 Å²	187	49.3 Å²	49.3	71%	0.706	27%	0.274	S	S	*	.	S	Bend	trans	-146.6	143.3	176.8	-66.6	-176.2	-179.9	177.4	-0.8	111.5	I286 T291	I286-R288 WeakPolarHBondContact CG2-O 3.4Å; R288-T291 HydrophobicContact CB-CG2 3.75Å; R288-T291 WeakPolarHBondContact O-CB 3.41Å; R288-T291 WeakPolarHBondContact O-CG2 3.32Å; R288-T291 PolarHBondContact O-N 2.78Å; R288-T291 PolarHBondContact O-OG1 3.4Å
289	P	73.8	Confident	82.9	Confident	93 Å²	93	49.2 Å²	49.2	60%	0.604	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	141.8	175.2	-23.2	32	0	0	0	112.5	T291 N312	P289-T291 PolarHBondContact O-N 2.85Å; P289-N312 WeakPolarHBondContact CB-OD1 3.32Å; P289-N312 WeakPolarHBondContact CG-OD1 3.26Å
290	G	74.6	Confident	83.3	Confident	41 Å²	41	47.8 Å²	47.8	42%	0.423	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	2.1	176.8	0	0	0	0	0	115.6	N312	G290-N312 PolarHBondContact N-O 3.43Å
291	T	81.6	Confident	83	Confident	51 Å²	51	50.2 Å²	50.2	31%	0.313	27%	0.273	S	S	.	.			trans	-84.6	-13.1	177.2	60.5	0	0	0	0	114.1	R288 P289	R288-T291 HydrophobicContact CB-CG2 3.75Å; R288-T291 WeakPolarHBondContact O-CB 3.41Å; R288-T291 WeakPolarHBondContact O-CG2 3.32Å; R288-T291 PolarHBondContact O-N 2.78Å; R288-T291 PolarHBondContact O-OG1 3.4Å; P289-T291 PolarHBondContact O-N 2.85Å
292	S	84	Confident	82.4	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.028	29%	0.288	C	S	.	.			trans	-79.6	136.8	179.4	63	0	0	0	0	111.7	L313	S292-L313 WeakPolarHBondContact OG-CD2 3.11Å
293	T	88.6	Confident	81.8	Confident	61 Å²	61	54 Å²	54	37%	0.374	29%	0.288	S	S	.	.			trans	-95.6	9.7	171.4	50.9	0	0	0	0	112.9	R268 L270 E295	R268-T293 WeakPolarHBondContact O-CG2 3.27Å; R268-T293 PolarHBondContact O-OG1 3.35Å; L270-T293 CarbonylContact O-C 3.54Å; L270-T293 VanDerWaalsContact O-C 3.26Å; L270-T293 PolarHBondContact O-OG1 2.52Å; T293-E295 PolarHBondContact O-N 2.85Å
294	L	91.8	Very high	81.3	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	29%	0.287	C	S	.	.			trans	-65.9	120.3	-178.5	-74.6	174.1	0	0	0	111.3	L267 L270 L273 L313 S315 L316	L267-L294 HydrophobicContact CD1-CD1 3.8Å; L267-L294 HydrophobicContact CG-CD1 4.39Å; L270-L294 HydrophobicContact CB-CD2 3.72Å; L270-L294 WeakPolarHBondContact O-CD2 3.38Å; L270-L294 PolarHBondContact O-N 2.94Å; L273-L294 HydrophobicContact CB-CD1 4.41Å; L273-L294 HydrophobicContact CB-CD2 3.79Å; L273-L294 HydrophobicContact CD2-CD1 4.28Å; L294-L313 HydrophobicContact CD1-CD2 4.2Å; L294-S315 CarbonylContact O-C 3.52Å; L294-L316 PolarHBondContact O-N 3.12Å
295	E	94.2	Very high	80.9	Confident	96 Å²	96	51.7 Å²	51.7	45%	0.449	27%	0.269	S	S	.	.	S	Bend	trans	-101.6	-21.8	173.1	-61.9	179.7	-179.5	0	0	111.7	I271 T293 V317 D318	I271-E295 HydrophobicContact CG2-CB 3.9Å; I271-E295 HydrophobicContact CG2-CG 4.06Å; I271-E295 PolarHBondContact O-N 3.34Å; T293-E295 PolarHBondContact O-N 2.85Å; E295-V317 HydrophobicContact CB-CG2 4.42Å; E295-V317 WeakPolarHBondContact O-CA 3.2Å; E295-V317 PolarHBondContact O-N 3.1Å; E295-D318 PolarHBondContact O-N 3.15Å
296	S	95.2	Very high	80.3	Confident	20 Å²	20	52.5 Å²	52.5	14%	0.14	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.6	-179.4	164.6	0	0	0	0	111.4	I271 S272 L273 D318	I271-S296 PolarHBondContact O-N 3.38Å; S272-S296 VanDerWaalsContact CA-O 3.26Å; S272-S296 WeakPolarHBondContact CA-O 3.36Å; S272-S296 WeakPolarHBondContact OG-CB 3.42Å; S272-S296 PolarHBondContact OG-OG 2.93Å; L273-S296 PolarHBondContact N-O 2.85Å; S296-D318 WeakPolarHBondContact CA-O 3.44Å
297	L	92.3	Very high	79.9	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	122.4	178.4	177.9	66.5	0	0	0	110.5	L273 V275 I282 A299 L313 L316 D318 L319 D320	L273-L297 HydrophobicContact CB-CD1 4.32Å; L273-L297 HydrophobicContact CD2-CD1 4.3Å; L273-L297 HydrophobicContact CG-CD1 4.36Å; L273-L297 WeakPolarHBondContact O-CA 3.47Å; V275-L297 HydrophobicContact CG2-CD1 4.44Å; I282-L297 HydrophobicContact CD1-CD1 4.08Å; I282-L297 HydrophobicContact CD1-CD2 3.54Å; I282-L297 HydrophobicContact CD1-CG 4.36Å; L297-A299 HydrophobicContact CD1-CB 4.3Å; L297-A299 HydrophobicContact CD2-CB 4.49Å; L297-A299 HydrophobicContact CG-CB 4.18Å; L297-L313 HydrophobicContact CD2-CD1 3.66Å; L297-L316 HydrophobicContact CB-CD1 3.62Å; L297-D318 PolarHBondContact N-O 3.47Å; L297-L319 HydrophobicContact CB-CD1 4.32Å; L297-L319 HydrophobicContact CD2-CD1 4.07Å; L297-L319 HydrophobicContact CG-CD1 4.38Å; L297-D320 PolarHBondContact O-N 3.25Å
298	V	92.6	Very high	79.6	Confident	26 Å²	26	52.3 Å²	52.3	16%	0.158	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.6	170.6	-170	0	0	0	0	107.9	L273 D274 V275 S276 Q300 D320	L273-V298 PolarHBondContact O-N 3.39Å; D274-V298 CarbonylContact C-O 3.26Å; D274-V298 WeakPolarHBondContact CA-O 3.37Å; D274-V298 HydrophobicContact CB-CB 3.93Å; D274-V298 HydrophobicContact CB-CG2 4.45Å; V275-V298 PolarHBondContact N-O 2.7Å; S276-V298 VanDerWaalsContact OG-CG1 3.29Å; S276-V298 WeakPolarHBondContact OG-CG1 3.06Å; V298-Q300 HydrophobicContact CG1-CG 4.14Å; V298-D320 HydrophobicContact CB-CB 4.39Å; V298-D320 HydrophobicContact CG1-CB 4Å; V298-D320 HydrophobicContact CG2-CB 4.3Å
299	A	88.9	Confident	79.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.246	C	C	.	.			trans	-146.5	61.4	-173	0	0	0	0	0	109.7	V275 I282 L297 T303 L305 D320	V275-A299 HydrophobicContact CG2-CB 4.09Å; I282-A299 HydrophobicContact CD1-CB 4.3Å; L297-A299 HydrophobicContact CD1-CB 4.3Å; L297-A299 HydrophobicContact CD2-CB 4.49Å; L297-A299 HydrophobicContact CG-CB 4.18Å; A299-T303 HydrophobicContact CB-CG2 4.27Å; A299-T303 PolarHBondContact O-OG1 2.84Å; A299-L305 HydrophobicContact CB-CD1 3.52Å; A299-D320 PolarHBondContact N-O 3.26Å
300	Q	86.4	Confident	79.5	Confident	50 Å²	50	39.5 Å²	39.5	23%	0.234	22%	0.219	C	C	.	.			trans	-74.2	152.2	177.1	-52.8	177.1	-6.1	0	0	111.1	S276 N277 V298 T303 D320 R322	S276-Q300 CarbonylContact C-O 3.46Å; S276-Q300 WeakPolarHBondContact CA-O 3.32Å; S276-Q300 PolarHBondContact OG-N 3.43Å; N277-Q300 PolarHBondContact N-O 3.36Å; V298-Q300 HydrophobicContact CG1-CG 4.14Å; Q300-T303 PolarHBondContact O-OG1 2.8Å; Q300-D320 WeakPolarHBondContact CG-OD1 3.24Å; Q300-D320 PolarHBondContact NE2-OD1 3.06Å; Q300-D320 PolarHBondContact NE2-OD2 3.08Å; Q300-R322 VanDerWaalsContact CA-O 3.24Å; Q300-R322 WeakPolarHBondContact CA-O 3.48Å; Q300-R322 VanDerWaalsContact CB-O 3.31Å; Q300-R322 WeakPolarHBondContact CB-O 3.33Å; Q300-R322 HydrophobicContact CG-CB 3.97Å
301	V	74.4	Confident	79.6	Confident	59 Å²	59	41 Å²	41	36%	0.358	22%	0.219	S	C	.	.	S	Bend	trans	43.2	130.7	165.2	-179.9	0	0	0	0	117.4	N277 T303 R322	N277-V301 WeakPolarHBondContact CA-O 3.44Å; N277-V301 PolarHBondContact N-O 2.9Å; V301-T303 PolarHBondContact O-N 2.82Å; V301-R322 PolarHBondContact N-O 3.06Å; V301-R322 VanDerWaalsContact N-O 3.13Å
302	K	67.7	Low	79.4	Confident	165 Å²	165	39.7 Å²	39.7	72%	0.717	21%	0.211	S	C	*	.	S	Bend	trans	59.8	-12.6	178.3	-66.5	-175.9	-167.5	170.4	0	116.9	N277 D304	N277-K302 WeakPolarHBondContact OD1-CD 3.39Å; K302-D304 PolarHBondContact O-N 2.81Å
303	T	65.7	Low	79.4	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.031	21%	0.211	C	C	.	.			trans	-65.3	114.8	166.8	46.7	0	0	0	0	108.2	V275 A299 Q300 V301 L305	V275-T303 WeakPolarHBondContact O-CG2 3.36Å; A299-T303 HydrophobicContact CB-CG2 4.27Å; A299-T303 PolarHBondContact O-OG1 2.84Å; Q300-T303 PolarHBondContact O-OG1 2.8Å; V301-T303 PolarHBondContact O-N 2.82Å; T303-L305 VanDerWaalsContact C-N 3.3Å; T303-L305 PolarHBondContact O-N 2.95Å
304	D	62.6	Low	79.2	Confident	57 Å²	57	40.7 Å²	40.7	31%	0.305	22%	0.217	S	C	.	.			trans	-78.5	88.3	178.4	-171.9	29.5	0	0	0	108.7	H281 K302 R330	H281-D304 WeakPolarHBondContact CE1-CB 3.47Å; H281-D304 IonicContact CE1-OD2 2.82Å; H281-D304 PolarHBondContact CE1-OD2 3.09Å; H281-D304 WeakPolarHBondContact ND1-CB 3.21Å; H281-D304 IonicContact ND1-OD2 3.35Å; H281-D304 PolarHBondContact ND1-OD2 2.81Å; K302-D304 PolarHBondContact O-N 2.81Å; D304-R330 IonicContact OD1-CZ 3.43Å; D304-R330 IonicContact OD1-NH1 3.89Å; D304-R330 PolarHBondContact OD1-NH1 3.2Å; D304-R330 IonicContact OD1-NH2 3.09Å; D304-R330 PolarHBondContact OD1-NH2 2.85Å; D304-R330 IonicContact OD2-NH1 3.98Å; D304-R330 IonicContact OD2-NH2 3.84Å
305	L	69.3	Low	79	Confident	12 Å²	12	43 Å²	43	6%	0.063	23%	0.233	C	C	.	.			trans	-94.9	124	177.5	-95.5	155.5	0	0	0	110.1	I282 A299 T303 D309 L310 I321 R330	I282-L305 HydrophobicContact CD1-CD1 4.39Å; I282-L305 HydrophobicContact CD1-CD2 3.48Å; I282-L305 VanDerWaalsContact CD1-CD2 3.48Å; I282-L305 HydrophobicContact CD1-CG 3.94Å; A299-L305 HydrophobicContact CB-CD1 3.52Å; T303-L305 VanDerWaalsContact C-N 3.3Å; T303-L305 PolarHBondContact O-N 2.95Å; L305-D309 WeakPolarHBondContact CA-OD2 3.06Å; L305-D309 HydrophobicContact CD2-CB 4.01Å; L305-L310 HydrophobicContact CD2-CD2 3.94Å; L305-L310 HydrophobicContact CD2-CG 4.21Å; L305-I321 HydrophobicContact CD1-CB 4.45Å; L305-I321 HydrophobicContact CD1-CG2 3.58Å; L305-R330 VanDerWaalsContact C-NH1 3.32Å; L305-R330 WeakPolarHBondContact O-CD 3.32Å; L305-R330 PolarHBondContact O-NH1 3.31Å
306	S	71.4	Confident	78.8	Confident	24 Å²	24	38.5 Å²	38.5	17%	0.168	21%	0.212	C	C	.	.			trans	-106.1	163.9	173	69.5	0	0	0	0	111	I308 D309 L310	S306-I308 PolarHBondContact O-N 2.81Å; S306-I308 PolarHBondContact OG-N 2.87Å; S306-D309 WeakPolarHBondContact CB-OD2 3.4Å; S306-D309 PolarHBondContact N-OD2 3.39Å; S306-D309 WeakPolarHBondContact O-CB 3.41Å; S306-D309 PolarHBondContact O-N 2.04Å; S306-D309 PolarHBondContact OG-N 2.8Å; S306-D309 VanDerWaalsContact OG-N 3.15Å; S306-D309 PolarHBondContact OG-OD2 2.85Å; S306-L310 PolarHBondContact O-N 3.19Å
307	V	69.2	Low	78.8	Confident	27 Å²	27	39.5 Å²	39.5	16%	0.164	22%	0.217	C	C	.	.	H	α-helix	trans	-58	-37.7	171	179	0	0	0	0	110.8	D309 L310 V311 R330 A334	V307-D309 VanDerWaalsContact C-N 3.3Å; V307-D309 PolarHBondContact O-N 2.81Å; V307-L310 PolarHBondContact O-N 3.32Å; V307-L310 VanDerWaalsContact O-N 3.16Å; V307-V311 HydrophobicContact CG1-CG2 3.98Å; V307-V311 VanDerWaalsContact O-CG2 3.32Å; V307-V311 WeakPolarHBondContact O-CG2 3.49Å; V307-V311 PolarHBondContact O-N 3.49Å; V307-R330 VanDerWaalsContact CG2-C 3.44Å; V307-R330 HydrophobicContact CG2-CB 4.18Å; V307-R330 WeakPolarHBondContact CG2-O 3.33Å; V307-A334 HydrophobicContact CB-CB 4.4Å; V307-A334 HydrophobicContact CG1-CB 3.57Å; V307-A334 HydrophobicContact CG2-CB 3.84Å
308	I	70.5	Confident	78.9	Confident	118 Å²	118	41.3 Å²	41.3	61%	0.605	23%	0.227	S	C	*	.	H	α-helix	trans	-61.7	-41	179.8	-60.3	171.4	0	0	0	110.4	S306 L310 V311 N312	S306-I308 PolarHBondContact O-N 2.81Å; S306-I308 PolarHBondContact OG-N 2.87Å; I308-L310 VanDerWaalsContact C-N 3.28Å; I308-L310 PolarHBondContact O-N 3.47Å; I308-V311 PolarHBondContact O-N 3.42Å; I308-N312 PolarHBondContact O-N 2.8Å; I308-N312 PolarHBondContact O-ND2 3.39Å
309	D	74	Confident	78.9	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.011	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-43.3	176.2	-61.7	-42.3	0	0	0	111.5	I282 S283 L305 S306 V307 L313	I282-D309 HydrophobicContact CB-CB 4.08Å; I282-D309 HydrophobicContact CG2-CB 4.22Å; S283-D309 WeakPolarHBondContact CA-OD1 3.42Å; S283-D309 WeakPolarHBondContact CB-OD1 3.31Å; S283-D309 PolarHBondContact N-OD1 3.44Å; S283-D309 PolarHBondContact OG-OD1 2.76Å; L305-D309 WeakPolarHBondContact CA-OD2 3.06Å; L305-D309 HydrophobicContact CD2-CB 4.01Å; S306-D309 WeakPolarHBondContact CB-OD2 3.4Å; S306-D309 PolarHBondContact N-OD2 3.39Å; S306-D309 WeakPolarHBondContact O-CB 3.41Å; S306-D309 PolarHBondContact O-N 2.04Å; S306-D309 PolarHBondContact OG-N 2.8Å; S306-D309 VanDerWaalsContact OG-N 3.15Å; S306-D309 PolarHBondContact OG-OD2 2.85Å; V307-D309 VanDerWaalsContact C-N 3.3Å; V307-D309 PolarHBondContact O-N 2.81Å; D309-L313 WeakPolarHBondContact O-CG 3.46Å
310	L	74.3	Confident	79	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-76	-37.3	-178.1	-64.8	175	0	0	0	112.8	L305 S306 V307 I308 N312 L313 L319 L331 F339	L305-L310 HydrophobicContact CD2-CD2 3.94Å; L305-L310 HydrophobicContact CD2-CG 4.21Å; S306-L310 PolarHBondContact O-N 3.19Å; V307-L310 PolarHBondContact O-N 3.32Å; V307-L310 VanDerWaalsContact O-N 3.16Å; I308-L310 VanDerWaalsContact C-N 3.28Å; I308-L310 PolarHBondContact O-N 3.47Å; L310-N312 PolarHBondContact O-N 3.29Å; L310-L313 PolarHBondContact O-N 3.49Å; L310-L313 VanDerWaalsContact O-N 3.08Å; L310-L319 HydrophobicContact CD1-CD2 4.29Å; L310-L319 HydrophobicContact CD2-CD1 3.98Å; L310-L319 HydrophobicContact CD2-CD2 3.84Å; L310-L331 HydrophobicContact CD1-CD2 3.95Å; L310-F339 HydrophobicContact CB-CD1 4.26Å; L310-F339 HydrophobicContact CB-CE1 3.37Å; L310-F339 HydrophobicContact CB-CZ 3.71Å; L310-F339 HydrophobicContact CD1-CZ 4.22Å
311	V	76.3	Confident	79.1	Confident	72 Å²	72	39.5 Å²	39.5	44%	0.436	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-30.5	179.6	167.3	0	0	0	0	111.4	V307 I308 L313 A337 F339	V307-V311 HydrophobicContact CG1-CG2 3.98Å; V307-V311 VanDerWaalsContact O-CG2 3.32Å; V307-V311 WeakPolarHBondContact O-CG2 3.49Å; V307-V311 PolarHBondContact O-N 3.49Å; I308-V311 PolarHBondContact O-N 3.42Å; V311-L313 VanDerWaalsContact C-N 3.29Å; V311-L313 PolarHBondContact O-N 3.25Å; V311-A337 HydrophobicContact CG2-CB 4.07Å; V311-F339 HydrophobicContact CG2-CE1 4.2Å; V311-F339 HydrophobicContact CG2-CZ 4.39Å
312	N	78.9	Confident	79.7	Confident	25 Å²	25	40.8 Å²	40.8	13%	0.134	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.1	178.9	-70.1	-19.9	0	0	0	114.1	I286 P289 G290 I308 L310 T314	I286-N312 HydrophobicContact CD1-CB 3.9Å; I286-N312 HydrophobicContact CG2-CB 4.37Å; P289-N312 WeakPolarHBondContact CB-OD1 3.32Å; P289-N312 WeakPolarHBondContact CG-OD1 3.26Å; G290-N312 PolarHBondContact N-O 3.43Å; I308-N312 PolarHBondContact O-N 2.8Å; I308-N312 PolarHBondContact O-ND2 3.39Å; L310-N312 PolarHBondContact O-N 3.29Å; N312-T314 PolarHBondContact O-N 2.95Å
313	L	83.1	Confident	80.7	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.026	19%	0.189	C	C	.	.			trans	-94.9	69.1	-177.1	-63.5	175.5	0	0	0	111.4	I282 I286 S292 L294 L297 D309 L310 V311 S315 L316	I282-L313 HydrophobicContact CG2-CD1 4.25Å; I286-L313 HydrophobicContact CD1-CD2 3.58Å; I286-L313 HydrophobicContact CD1-CG 4.12Å; S292-L313 WeakPolarHBondContact OG-CD2 3.11Å; L294-L313 HydrophobicContact CD1-CD2 4.2Å; L297-L313 HydrophobicContact CD2-CD1 3.66Å; D309-L313 WeakPolarHBondContact O-CG 3.46Å; L310-L313 PolarHBondContact O-N 3.49Å; L310-L313 VanDerWaalsContact O-N 3.08Å; V311-L313 VanDerWaalsContact C-N 3.29Å; V311-L313 PolarHBondContact O-N 3.25Å; L313-S315 VanDerWaalsContact C-N 3.27Å; L313-S315 PolarHBondContact O-N 3.17Å; L313-L316 HydrophobicContact CB-CB 4.11Å; L313-L316 HydrophobicContact CB-CD2 4.37Å; L313-L316 HydrophobicContact CD1-CD2 4.21Å; L313-L316 WeakPolarHBondContact O-CB 3.49Å; L313-L316 PolarHBondContact O-N 3.47Å
314	T	83.7	Confident	81.2	Confident	81 Å²	81	33.7 Å²	33.7	50%	0.497	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.8	-171.3	55	0	0	0	0	115.4	N312 S341	N312-T314 PolarHBondContact O-N 2.95Å; T314-S341 WeakPolarHBondContact O-CB 3.41Å; T314-S341 PolarHBondContact O-OG 3.45Å
315	S	89	Confident	81.4	Confident	49 Å²	49	40.3 Å²	40.3	34%	0.343	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	2	-178.8	-54.8	0	0	0	0	113.3	L294 L313 V317	L294-S315 CarbonylContact O-C 3.52Å; L313-S315 VanDerWaalsContact C-N 3.27Å; L313-S315 PolarHBondContact O-N 3.17Å; S315-V317 PolarHBondContact O-N 2.97Å
316	L	90.4	Very high	81	Confident	3 Å²	3	45 Å²	45	2%	0.016	23%	0.232	C	C	.	.			trans	-71.3	121.4	-169.9	-169.7	71.3	0	0	0	112	L294 L297 L313 L319 S341 V342	L294-L316 PolarHBondContact O-N 3.12Å; L297-L316 HydrophobicContact CB-CD1 3.62Å; L313-L316 HydrophobicContact CB-CB 4.11Å; L313-L316 HydrophobicContact CB-CD2 4.37Å; L313-L316 HydrophobicContact CD1-CD2 4.21Å; L313-L316 WeakPolarHBondContact O-CB 3.49Å; L313-L316 PolarHBondContact O-N 3.47Å; L316-L319 HydrophobicContact CD2-CB 3.98Å; L316-L319 HydrophobicContact CD2-CD1 4.01Å; L316-L319 HydrophobicContact CD2-CD2 4.28Å; L316-L319 HydrophobicContact CD2-CG 4.3Å; L316-S341 CarbonylContact O-C 3.58Å; L316-S341 WeakPolarHBondContact O-CB 3.31Å; L316-S341 PolarHBondContact O-OG 3.34Å; L316-V342 HydrophobicContact CD2-CG2 4.38Å; L316-V342 HydrophobicContact CG-CG2 4.45Å; L316-V342 WeakPolarHBondContact O-CA 3.24Å; L316-V342 WeakPolarHBondContact O-CG2 3.07Å; L316-V342 PolarHBondContact O-N 3.49Å
317	V	93.9	Very high	80.3	Confident	41 Å²	41	44.1 Å²	44.1	25%	0.248	23%	0.226	C	C	.	.			trans	-105.3	-41.7	-179.7	-179.8	0	0	0	0	111.6	E295 S315 V342 E343 R344	E295-V317 HydrophobicContact CB-CG2 4.42Å; E295-V317 WeakPolarHBondContact O-CA 3.2Å; E295-V317 PolarHBondContact O-N 3.1Å; S315-V317 PolarHBondContact O-N 2.97Å; V317-V342 CarbonylContact O-C 3.16Å; V317-V342 WeakPolarHBondContact O-CA 3.39Å; V317-E343 HydrophobicContact CG1-CB 3.96Å; V317-E343 HydrophobicContact CG1-CG 4.15Å; V317-E343 PolarHBondContact O-N 2.99Å; V317-R344 PolarHBondContact O-N 2.86Å
318	D	95	Very high	79.5	Confident	39 Å²	39	46 Å²	46	21%	0.209	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.4	-179.2	-62.9	-31	0	0	0	109.8	E295 S296 L297 R344	E295-D318 PolarHBondContact O-N 3.15Å; S296-D318 WeakPolarHBondContact CA-O 3.44Å; L297-D318 PolarHBondContact N-O 3.47Å; D318-R344 HydrophobicContact CB-CB 4.39Å; D318-R344 WeakPolarHBondContact OD1-CB 3.43Å; D318-R344 WeakPolarHBondContact OD1-CD 3.29Å; D318-R344 WeakPolarHBondContact OD1-CG 3.3Å; D318-R344 IonicContact OD1-CZ 4Å; D318-R344 IonicContact OD1-NH1 2.74Å; D318-R344 PolarHBondContact OD1-NH1 3.4Å; D318-R344 VanDerWaalsContact OD1-NH1 3.09Å; D318-R344 IonicContact OD2-NH1 3.75Å
319	L	91.6	Very high	78.9	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123	179.6	176.8	59.6	0	0	0	111	L297 L310 L316 I321 V342 R344 L345 D346 F360	L297-L319 HydrophobicContact CB-CD1 4.32Å; L297-L319 HydrophobicContact CD2-CD1 4.07Å; L297-L319 HydrophobicContact CG-CD1 4.38Å; L310-L319 HydrophobicContact CD1-CD2 4.29Å; L310-L319 HydrophobicContact CD2-CD1 3.98Å; L310-L319 HydrophobicContact CD2-CD2 3.84Å; L316-L319 HydrophobicContact CD2-CB 3.98Å; L316-L319 HydrophobicContact CD2-CD1 4.01Å; L316-L319 HydrophobicContact CD2-CD2 4.28Å; L316-L319 HydrophobicContact CD2-CG 4.3Å; L319-I321 HydrophobicContact CD1-CG2 3.54Å; L319-I321 HydrophobicContact CG-CG2 4.03Å; L319-V342 HydrophobicContact CB-CG1 4.37Å; L319-R344 PolarHBondContact N-O 3.19Å; L319-L345 HydrophobicContact CB-CD1 4.11Å; L319-L345 HydrophobicContact CD2-CD1 3.94Å; L319-L345 HydrophobicContact CG-CD1 4.06Å; L319-L345 CarbonylContact O-C 3.5Å; L319-L345 WeakPolarHBondContact O-CA 3.42Å; L319-D346 PolarHBondContact O-N 2.97Å; L319-F360 HydrophobicContact CD2-CE1 4.32Å
320	D	91.3	Very high	78.2	Confident	27 Å²	27	52.2 Å²	52.2	14%	0.144	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.2	172.8	179.4	-7.2	0	0	0	110.2	L297 V298 A299 Q300 R322 D346	L297-D320 PolarHBondContact O-N 3.25Å; V298-D320 HydrophobicContact CB-CB 4.39Å; V298-D320 HydrophobicContact CG1-CB 4Å; V298-D320 HydrophobicContact CG2-CB 4.3Å; A299-D320 PolarHBondContact N-O 3.26Å; Q300-D320 WeakPolarHBondContact CG-OD1 3.24Å; Q300-D320 PolarHBondContact NE2-OD1 3.06Å; Q300-D320 PolarHBondContact NE2-OD2 3.08Å; D320-R322 WeakPolarHBondContact OD1-CB 3.45Å; D320-R322 PolarHBondContact OD1-N 3.22Å; D320-R322 VanDerWaalsContact OD1-N 3.07Å; D320-D346 HydrophobicContact CB-CB 4.06Å
321	I	88.7	Confident	77.6	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.031	25%	0.25	C	S	.	.			trans	-127	31.2	-179.9	58.8	169.5	0	0	0	111.7	L305 L319 G323 S324 L331 D346 I347 T350	L305-I321 HydrophobicContact CD1-CB 4.45Å; L305-I321 HydrophobicContact CD1-CG2 3.58Å; L319-I321 HydrophobicContact CD1-CG2 3.54Å; L319-I321 HydrophobicContact CG-CG2 4.03Å; I321-G323 PolarHBondContact O-N 2.81Å; I321-S324 WeakPolarHBondContact O-CB 3.2Å; I321-S324 PolarHBondContact O-N 3.12Å; I321-L331 HydrophobicContact CD1-CD1 3.72Å; I321-D346 PolarHBondContact N-O 3.09Å; I321-I347 HydrophobicContact CD1-CG2 3.94Å; I321-I347 HydrophobicContact CG1-CG2 3.81Å; I321-T350 WeakPolarHBondContact O-CG2 3.36Å
322	R	88.2	Confident	76.8	Confident	86 Å²	86	51.7 Å²	51.7	33%	0.325	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	139.7	-179.7	-178.7	-178.1	-51.7	171.3	5.9	112.5	Q300 V301 D320 S324 D346 S348	Q300-R322 VanDerWaalsContact CA-O 3.24Å; Q300-R322 WeakPolarHBondContact CA-O 3.48Å; Q300-R322 VanDerWaalsContact CB-O 3.31Å; Q300-R322 WeakPolarHBondContact CB-O 3.33Å; Q300-R322 HydrophobicContact CG-CB 3.97Å; V301-R322 PolarHBondContact N-O 3.06Å; V301-R322 VanDerWaalsContact N-O 3.13Å; D320-R322 WeakPolarHBondContact OD1-CB 3.45Å; D320-R322 PolarHBondContact OD1-N 3.22Å; D320-R322 VanDerWaalsContact OD1-N 3.07Å; R322-S324 PolarHBondContact O-N 3.06Å; R322-D346 IonicContact CZ-OD2 3.6Å; R322-D346 IonicContact NE-OD1 3.1Å; R322-D346 IonicContact NE-OD2 3.96Å; R322-D346 PolarHBondContact NE-OD2 2.78Å; R322-D346 IonicContact NH2-OD2 3.37Å; R322-D346 PolarHBondContact NH2-OD2 3.33Å; R322-S348 CarbonylContact C-O 3.6Å; R322-S348 VanDerWaalsContact CA-O 3.24Å; R322-S348 WeakPolarHBondContact CA-O 3.36Å; R322-S348 VanDerWaalsContact CG-O 3.31Å; R322-S348 WeakPolarHBondContact CG-O 3.47Å
323	G	87.1	Confident	76	Confident	14 Å²	14	57.4 Å²	57.4	14%	0.144	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	3.7	174.4	0	0	0	0	0	115.2	I321 R325 S348 E349	I321-G323 PolarHBondContact O-N 2.81Å; G323-R325 PolarHBondContact O-N 3.15Å; G323-S348 PolarHBondContact N-O 3.24Å; G323-E349 WeakPolarHBondContact CA-O 3.32Å
324	S	77.7	Confident	74.9	Confident	7 Å²	7	57.4 Å²	57.4	5%	0.049	28%	0.275	C	S	.	.			trans	-76.6	89.7	176	-171.9	0	0	0	0	111.2	I321 R322 Q326 G327	I321-S324 WeakPolarHBondContact O-CB 3.2Å; I321-S324 PolarHBondContact O-N 3.12Å; R322-S324 PolarHBondContact O-N 3.06Å; S324-Q326 PolarHBondContact O-N 2.94Å; S324-G327 PolarHBondContact O-N 3.49Å
325	R	66.6	Low	73.3	Confident	197 Å²	197	62 Å²	62	74%	0.743	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25	178.8	-66.9	-171.9	-177.8	-178.2	-0.5	114.1	G323 G327	G323-R325 PolarHBondContact O-N 3.15Å; R325-G327 VanDerWaalsContact C-N 3.29Å
326	Q	61	Low	71.7	Confident	110 Å²	110	63.8 Å²	63.8	51%	0.514	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-15.6	174.7	-64.1	-64	-18.3	0	0	112.6	S324 H328 R330	S324-Q326 PolarHBondContact O-N 2.94Å; Q326-H328 VanDerWaalsContact C-N 3.3Å; Q326-H328 PolarHBondContact O-N 2.91Å; Q326-R330 PolarHBondContact O-N 3.2Å
327	G	56.3	Low	70.4	Confident	5 Å²	5	65 Å²	65	5%	0.052	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-34.5	-179	0	0	0	0	0	113.5	S324 R325 R330 L331	S324-G327 PolarHBondContact O-N 3.49Å; R325-G327 VanDerWaalsContact C-N 3.29Å; G327-R330 PolarHBondContact O-N 3.04Å; G327-L331 WeakPolarHBondContact O-CB 3.29Å; G327-L331 PolarHBondContact O-N 2.91Å
328	H	52.3	Low	69.1	Low	68 Å²	68	66 Å²	66	32%	0.315	34%	0.341	S	S	.	.	H	α-helix	trans	-62.9	-52.8	-179.5	-176.5	-79.9	0	0	0	113.2	Q326 R330 S332 E351 I352	Q326-H328 VanDerWaalsContact C-N 3.3Å; Q326-H328 PolarHBondContact O-N 2.91Å; H328-R330 PolarHBondContact O-N 2.82Å; H328-S332 WeakPolarHBondContact O-CB 3.31Å; H328-S332 PolarHBondContact O-N 2.8Å; H328-S332 PolarHBondContact O-OG 3.25Å; H328-E351 PolarHBondContact CD2-O 2.82Å; H328-E351 VanDerWaalsContact CD2-O 3.25Å; H328-I352 HydrophobicContact CB-CG1 4.47Å
329	R	58.4	Low	68.4	Low	185 Å²	185	64.9 Å²	64.9	70%	0.698	34%	0.335	S	S	*	.	H	α-helix	trans	-60.3	-36.6	-179.7	-74.1	-169.9	-173.3	-173.1	2.5	110.9	S332 E333	R329-S332 PolarHBondContact O-OG 3.15Å; R329-S332 VanDerWaalsContact O-OG 3.12Å; R329-E333 VanDerWaalsContact O-CD 3.24Å; R329-E333 VanDerWaalsContact O-CG 3.24Å; R329-E333 WeakPolarHBondContact O-CG 3.22Å
330	R	58.9	Low	68.1	Low	64 Å²	64	67.5 Å²	67.5	24%	0.242	35%	0.354	C	S	.	.	H	α-helix	trans	-83.7	-47.4	-174.9	-62.3	-171.9	179.7	170.5	-0.5	113.5	D304 L305 V307 Q326 G327 H328 S332 E333 A334	D304-R330 IonicContact OD1-CZ 3.43Å; D304-R330 IonicContact OD1-NH1 3.89Å; D304-R330 PolarHBondContact OD1-NH1 3.2Å; D304-R330 IonicContact OD1-NH2 3.09Å; D304-R330 PolarHBondContact OD1-NH2 2.85Å; D304-R330 IonicContact OD2-NH1 3.98Å; D304-R330 IonicContact OD2-NH2 3.84Å; L305-R330 VanDerWaalsContact C-NH1 3.32Å; L305-R330 WeakPolarHBondContact O-CD 3.32Å; L305-R330 PolarHBondContact O-NH1 3.31Å; V307-R330 VanDerWaalsContact CG2-C 3.44Å; V307-R330 HydrophobicContact CG2-CB 4.18Å; V307-R330 WeakPolarHBondContact CG2-O 3.33Å; Q326-R330 PolarHBondContact O-N 3.2Å; G327-R330 PolarHBondContact O-N 3.04Å; H328-R330 PolarHBondContact O-N 2.82Å; R330-S332 VanDerWaalsContact C-N 3.29Å; R330-S332 PolarHBondContact O-N 2.98Å; R330-E333 WeakPolarHBondContact O-CB 3.15Å; R330-E333 PolarHBondContact O-N 3.09Å; R330-E333 VanDerWaalsContact O-N 3.08Å; R330-A334 PolarHBondContact O-N 3.48Å
331	L	62.3	Low	67.9	Low	13 Å²	13	68 Å²	68	7%	0.068	36%	0.359	C	S	.	.	H	α-helix	trans	-66.8	-28.9	179.6	-81.3	164.1	0	0	0	113.2	L310 I321 G327 E333 A334 F339 I352 F360	L310-L331 HydrophobicContact CD1-CD2 3.95Å; I321-L331 HydrophobicContact CD1-CD1 3.72Å; G327-L331 WeakPolarHBondContact O-CB 3.29Å; G327-L331 PolarHBondContact O-N 2.91Å; L331-E333 VanDerWaalsContact C-N 3.28Å; L331-E333 PolarHBondContact O-N 3.25Å; L331-A334 VanDerWaalsContact O-CB 3.25Å; L331-A334 WeakPolarHBondContact O-CB 3.31Å; L331-A334 PolarHBondContact O-N 2.87Å; L331-F339 HydrophobicContact CD2-CE2 3.94Å; L331-F339 HydrophobicContact CD2-CZ 4.44Å; L331-I352 HydrophobicContact CD1-CD1 3.52Å; L331-F360 HydrophobicContact CD2-CZ 4.23Å
332	S	58.9	Low	68.1	Low	56 Å²	56	67.7 Å²	67.7	39%	0.392	36%	0.358	S	S	.	.	H	α-helix	trans	-67.8	-28.5	172.5	56.6	0	0	0	0	112.9	H328 R329 R330 A334	H328-S332 WeakPolarHBondContact O-CB 3.31Å; H328-S332 PolarHBondContact O-N 2.8Å; H328-S332 PolarHBondContact O-OG 3.25Å; R329-S332 PolarHBondContact O-OG 3.15Å; R329-S332 VanDerWaalsContact O-OG 3.12Å; R330-S332 VanDerWaalsContact C-N 3.29Å; R330-S332 PolarHBondContact O-N 2.98Å; S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 PolarHBondContact O-N 3.12Å
333	E	61.1	Low	68.3	Low	145 Å²	145	66.4 Å²	66.4	68%	0.678	36%	0.355	S	S	*	.	H	α-helix	trans	-75.2	-12.4	173.4	-69.2	165.5	-177.7	0	0	113	R329 R330 L331 M335	R329-E333 VanDerWaalsContact O-CD 3.24Å; R329-E333 VanDerWaalsContact O-CG 3.24Å; R329-E333 WeakPolarHBondContact O-CG 3.22Å; R330-E333 WeakPolarHBondContact O-CB 3.15Å; R330-E333 PolarHBondContact O-N 3.09Å; R330-E333 VanDerWaalsContact O-N 3.08Å; L331-E333 VanDerWaalsContact C-N 3.28Å; L331-E333 PolarHBondContact O-N 3.25Å; E333-M335 PolarHBondContact O-N 2.95Å
334	A	61.7	Low	68.8	Low	6 Å²	6	71.5 Å²	71.5	5%	0.05	37%	0.37	C	S	.	.			trans	-71.9	25.3	-179.8	0	0	0	0	0	114.2	V307 R330 L331 S332 G336 A337	V307-A334 HydrophobicContact CB-CB 4.4Å; V307-A334 HydrophobicContact CG1-CB 3.57Å; V307-A334 HydrophobicContact CG2-CB 3.84Å; R330-A334 PolarHBondContact O-N 3.48Å; L331-A334 VanDerWaalsContact O-CB 3.25Å; L331-A334 WeakPolarHBondContact O-CB 3.31Å; L331-A334 PolarHBondContact O-N 2.87Å; S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 PolarHBondContact O-N 3.12Å; A334-G336 PolarHBondContact O-N 2.9Å; A334-A337 HydrophobicContact CB-CB 4.32Å; A334-A337 PolarHBondContact O-N 3.2Å
335	M	48.5	Very low	69.5	Low	178 Å²	178	71.2 Å²	71.2	88%	0.877	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	105.6	177.3	-69.7	-174.6	65	0	0	110.2	E333	E333-M335 PolarHBondContact O-N 2.95Å
336	G	55.9	Low	70.8	Confident	85 Å²	85	62.4 Å²	62.4	88%	0.876	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.8	-17.5	-179.5	0	0	0	0	0	114.7	A334	A334-G336 PolarHBondContact O-N 2.9Å
337	A	64.2	Low	72.2	Confident	28 Å²	28	57.1 Å²	57.1	23%	0.231	31%	0.311	C	S	.	.			trans	-82.2	128.7	170.1	0	0	0	0	0	110.1	V311 A334 F339	V311-A337 HydrophobicContact CG2-CB 4.07Å; A334-A337 HydrophobicContact CB-CB 4.32Å; A334-A337 PolarHBondContact O-N 3.2Å; A337-F339 HydrophobicContact CB-CZ 4.42Å
338	A	65.4	Low	73.9	Confident	62 Å²	62	57 Å²	57	51%	0.512	31%	0.309	S	S	.	.			trans	-115.1	106.3	172	0	0	0	0	0	108.8	S340 P361	A338-S340 PolarHBondContact O-N 2.97Å; A338-S340 PolarHBondContact O-OG 3.4Å; A338-P361 HydrophobicContact CB-CG 4.4Å
339	F	80.2	Confident	75.7	Confident	17 Å²	17	58.2 Å²	58.2	8%	0.075	32%	0.315	C	S	.	.			trans	-74.4	69.2	174.2	-59.5	-71.1	0	0	0	109.4	L310 V311 L331 A337 S341 V342 V359 F360	L310-F339 HydrophobicContact CB-CD1 4.26Å; L310-F339 HydrophobicContact CB-CE1 3.37Å; L310-F339 HydrophobicContact CB-CZ 3.71Å; L310-F339 HydrophobicContact CD1-CZ 4.22Å; V311-F339 HydrophobicContact CG2-CE1 4.2Å; V311-F339 HydrophobicContact CG2-CZ 4.39Å; L331-F339 HydrophobicContact CD2-CE2 3.94Å; L331-F339 HydrophobicContact CD2-CZ 4.44Å; A337-F339 HydrophobicContact CB-CZ 4.42Å; F339-S341 VanDerWaalsContact C-N 3.25Å; F339-S341 PolarHBondContact O-N 3.03Å; F339-V342 HydrophobicContact CB-CG2 4.04Å; F339-V342 PolarHBondContact O-N 2.86Å; F339-V359 HydrophobicContact CD2-CB 4.3Å; F339-V359 HydrophobicContact CD2-CG2 4.1Å; F339-V359 HydrophobicContact CE2-CG2 4.31Å; F339-V359 PolarHBondContact N-O 3Å; F339-F360 HydrophobicContact CB-CD1 3.49Å; F339-F360 VanDerWaalsContact CB-CD1 3.49Å; F339-F360 HydrophobicContact CB-CE1 3.59Å; F339-F360 HydrophobicContact CB-CG 4.49Å; F339-F360 AromaticContact CD2-CD1 3.93Å; F339-F360 HydrophobicContact CD2-CD1 3.93Å; F339-F360 AromaticContact CD2-CE1 3.44Å; F339-F360 HydrophobicContact CD2-CE1 3.44Å; F339-F360 VanDerWaalsContact CD2-CE1 3.44Å; F339-F360 HydrophobicContact CD2-CE2 4.46Å; F339-F360 AromaticContact CD2-CZ 3.74Å; F339-F360 HydrophobicContact CD2-CZ 3.74Å; F339-F360 HydrophobicContact CE2-CE1 4.3Å; F339-F360 HydrophobicContact CE2-CZ 4.24Å; F339-F360 HydrophobicContact CG-CD1 4.05Å; F339-F360 AromaticContact CG-CE1 3.66Å; F339-F360 HydrophobicContact CG-CE1 3.66Å; F339-F360 HydrophobicContact CG-CZ 4.39Å
340	S	84.7	Confident	76.9	Confident	59 Å²	59	49.4 Å²	49.4	41%	0.413	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-19	-168.1	-59.2	0	0	0	0	113	A338 N362	A338-S340 PolarHBondContact O-N 2.97Å; A338-S340 PolarHBondContact O-OG 3.4Å; S340-N362 WeakPolarHBondContact O-CB 3.32Å; S340-N362 PolarHBondContact O-ND2 3.5Å
341	S	88.7	Confident	78.2	Confident	36 Å²	36	51.9 Å²	51.9	25%	0.252	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-25.6	177.3	56	0	0	0	0	113.2	T314 L316 F339 E343	T314-S341 WeakPolarHBondContact O-CB 3.41Å; T314-S341 PolarHBondContact O-OG 3.45Å; L316-S341 CarbonylContact O-C 3.58Å; L316-S341 WeakPolarHBondContact O-CB 3.31Å; L316-S341 PolarHBondContact O-OG 3.34Å; F339-S341 VanDerWaalsContact C-N 3.25Å; F339-S341 PolarHBondContact O-N 3.03Å; S341-E343 PolarHBondContact O-N 2.84Å
342	V	91.3	Very high	79.2	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	30%	0.295	C	S	.	.			trans	-73.6	120.6	-172	178.9	0	0	0	0	110.9	L316 V317 L319 F339 R344 L345 F360 N362 V363	L316-V342 HydrophobicContact CD2-CG2 4.38Å; L316-V342 HydrophobicContact CG-CG2 4.45Å; L316-V342 WeakPolarHBondContact O-CA 3.24Å; L316-V342 WeakPolarHBondContact O-CG2 3.07Å; L316-V342 PolarHBondContact O-N 3.49Å; V317-V342 CarbonylContact O-C 3.16Å; V317-V342 WeakPolarHBondContact O-CA 3.39Å; L319-V342 HydrophobicContact CB-CG1 4.37Å; F339-V342 HydrophobicContact CB-CG2 4.04Å; F339-V342 PolarHBondContact O-N 2.86Å; V342-R344 WeakPolarHBondContact CG1-O 3.48Å; V342-L345 HydrophobicContact CG1-CB 4.45Å; V342-F360 HydrophobicContact CB-CD1 3.99Å; V342-F360 HydrophobicContact CB-CE1 4.49Å; V342-F360 HydrophobicContact CG1-CD1 4.07Å; V342-F360 HydrophobicContact CG1-CE1 4.45Å; V342-F360 HydrophobicContact CG2-CD1 4.28Å; V342-F360 HydrophobicContact CG2-CE1 4.35Å; V342-N362 CarbonylContact O-C 3.58Å; V342-V363 PolarHBondContact O-N 2.98Å
343	E	94.3	Very high	80.4	Confident	59 Å²	59	50.8 Å²	50.8	28%	0.276	29%	0.291	S	S	.	.			trans	-107.7	-26.9	175.6	-65.2	-159.8	-178	0	0	113.3	V317 S341 R364 V365	V317-E343 HydrophobicContact CG1-CB 3.96Å; V317-E343 HydrophobicContact CG1-CG 4.15Å; V317-E343 PolarHBondContact O-N 2.99Å; S341-E343 PolarHBondContact O-N 2.84Å; E343-R364 PolarHBondContact O-N 3Å; E343-R364 IonicContact OE1-CZ 3.42Å; E343-R364 IonicContact OE1-NH1 3.35Å; E343-R364 PolarHBondContact OE1-NH1 3.14Å; E343-R364 IonicContact OE1-NH2 3.74Å; E343-R364 IonicContact OE2-CZ 2.83Å; E343-R364 IonicContact OE2-NE 3.71Å; E343-R364 IonicContact OE2-NH1 2.71Å; E343-R364 PolarHBondContact OE2-NH1 3.24Å; E343-V365 PolarHBondContact O-N 2.82Å; E343-V365 VanDerWaalsContact O-N 3.12Å
344	R	96.4	Very high	81.5	Confident	121 Å²	121	44.2 Å²	44.2	46%	0.457	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.7	173.8	-54.6	-169.2	173.1	72.3	3.9	111.2	V317 D318 L319 V342 V365	V317-R344 PolarHBondContact O-N 2.86Å; D318-R344 HydrophobicContact CB-CB 4.39Å; D318-R344 WeakPolarHBondContact OD1-CB 3.43Å; D318-R344 WeakPolarHBondContact OD1-CD 3.29Å; D318-R344 WeakPolarHBondContact OD1-CG 3.3Å; D318-R344 IonicContact OD1-CZ 4Å; D318-R344 IonicContact OD1-NH1 2.74Å; D318-R344 PolarHBondContact OD1-NH1 3.4Å; D318-R344 VanDerWaalsContact OD1-NH1 3.09Å; D318-R344 IonicContact OD2-NH1 3.75Å; L319-R344 PolarHBondContact N-O 3.19Å; V342-R344 WeakPolarHBondContact CG1-O 3.48Å; R344-V365 WeakPolarHBondContact CA-O 3.28Å; R344-V365 HydrophobicContact CB-CB 4.22Å; R344-V365 HydrophobicContact CG-CB 3.89Å; R344-V365 HydrophobicContact CG-CG2 4.04Å
345	L	93.4	Very high	82.5	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	124.5	-176.1	-177.4	65	0	0	0	110.9	L319 V342 I347 L357 F360 V363 V365 V366 F367	L319-L345 HydrophobicContact CB-CD1 4.11Å; L319-L345 HydrophobicContact CD2-CD1 3.94Å; L319-L345 HydrophobicContact CG-CD1 4.06Å; L319-L345 CarbonylContact O-C 3.5Å; L319-L345 WeakPolarHBondContact O-CA 3.42Å; V342-L345 HydrophobicContact CG1-CB 4.45Å; L345-I347 HydrophobicContact CD1-CG2 3.7Å; L345-I347 HydrophobicContact CD2-CD1 4.36Å; L345-I347 HydrophobicContact CD2-CG1 4.43Å; L345-I347 HydrophobicContact CD2-CG2 3.98Å; L345-I347 HydrophobicContact CG-CG1 4.43Å; L345-I347 HydrophobicContact CG-CG2 3.73Å; L345-L357 HydrophobicContact CD2-CD2 3.72Å; L345-F360 HydrophobicContact CD1-CE1 4.27Å; L345-F360 HydrophobicContact CD1-CE2 4.49Å; L345-F360 HydrophobicContact CD1-CZ 4.14Å; L345-F360 HydrophobicContact CD2-CD1 4.36Å; L345-F360 HydrophobicContact CD2-CD2 3.59Å; L345-F360 HydrophobicContact CD2-CE1 4.44Å; L345-F360 HydrophobicContact CD2-CE2 3.67Å; L345-F360 HydrophobicContact CD2-CG 3.96Å; L345-F360 HydrophobicContact CD2-CZ 4.12Å; L345-V363 HydrophobicContact CB-CG2 3.8Å; L345-V365 PolarHBondContact N-O 3.39Å; L345-V366 WeakPolarHBondContact O-CA 3.39Å; L345-F367 PolarHBondContact O-N 2.87Å
346	D	92.9	Very high	84.1	Confident	11 Å²	11	39.3 Å²	39.3	6%	0.059	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.3	165.2	-165.1	-22.9	0	0	0	110.2	L319 D320 I321 R322 S348 F367	L319-D346 PolarHBondContact O-N 2.97Å; D320-D346 HydrophobicContact CB-CB 4.06Å; I321-D346 PolarHBondContact N-O 3.09Å; R322-D346 IonicContact CZ-OD2 3.6Å; R322-D346 IonicContact NE-OD1 3.1Å; R322-D346 IonicContact NE-OD2 3.96Å; R322-D346 PolarHBondContact NE-OD2 2.78Å; R322-D346 IonicContact NH2-OD2 3.37Å; R322-D346 PolarHBondContact NH2-OD2 3.33Å; D346-S348 VanDerWaalsContact OD1-CB 3.22Å; D346-S348 WeakPolarHBondContact OD1-CB 3.46Å; D346-S348 PolarHBondContact OD1-N 3.39Å; D346-S348 PolarHBondContact OD1-OG 2.77Å; D346-F367 HydrophobicContact CB-CB 4.09Å; D346-F367 HydrophobicContact CB-CD2 4.22Å
347	I	90	Very high	85.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.206	C	C	.	.			trans	-124.9	27.8	178.8	52.5	164.3	0	0	0	110.1	I321 L345 T350 I352 L357 F367 M368 N371	I321-I347 HydrophobicContact CD1-CG2 3.94Å; I321-I347 HydrophobicContact CG1-CG2 3.81Å; L345-I347 HydrophobicContact CD1-CG2 3.7Å; L345-I347 HydrophobicContact CD2-CD1 4.36Å; L345-I347 HydrophobicContact CD2-CG1 4.43Å; L345-I347 HydrophobicContact CD2-CG2 3.98Å; L345-I347 HydrophobicContact CG-CG1 4.43Å; L345-I347 HydrophobicContact CG-CG2 3.73Å; I347-T350 HydrophobicContact CB-CG2 4.27Å; I347-T350 WeakPolarHBondContact O-CB 3.45Å; I347-T350 WeakPolarHBondContact O-CG2 3.49Å; I347-T350 PolarHBondContact O-OG1 3.34Å; I347-I352 HydrophobicContact CB-CD1 4.29Å; I347-I352 HydrophobicContact CD1-CB 4.08Å; I347-I352 HydrophobicContact CD1-CG2 3.84Å; I347-I352 HydrophobicContact CG2-CD1 4.12Å; I347-L357 HydrophobicContact CD1-CD2 3.85Å; I347-F367 WeakPolarHBondContact CG1-O 3.33Å; I347-F367 PolarHBondContact N-O 3.37Å; I347-M368 HydrophobicContact CD1-CB 4.15Å; I347-M368 HydrophobicContact CG1-CB 3.95Å; I347-N371 PolarHBondContact O-ND2 2.9Å; I347-N371 PolarHBondContact O-OD1 2.87Å
348	S	91.8	Very high	86.3	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.007	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	145.9	177	-52.8	0	0	0	0	110.4	R322 G323 D346 T350 F367 N369	R322-S348 CarbonylContact C-O 3.6Å; R322-S348 VanDerWaalsContact CA-O 3.24Å; R322-S348 WeakPolarHBondContact CA-O 3.36Å; R322-S348 VanDerWaalsContact CG-O 3.31Å; R322-S348 WeakPolarHBondContact CG-O 3.47Å; G323-S348 PolarHBondContact N-O 3.24Å; D346-S348 VanDerWaalsContact OD1-CB 3.22Å; D346-S348 WeakPolarHBondContact OD1-CB 3.46Å; D346-S348 PolarHBondContact OD1-N 3.39Å; D346-S348 PolarHBondContact OD1-OG 2.77Å; S348-T350 PolarHBondContact O-N 3.09Å; S348-F367 PolarHBondContact N-O 3.09Å; S348-N369 CarbonylContact C-O 3.55Å; S348-N369 WeakPolarHBondContact CA-O 3.18Å; S348-N369 VanDerWaalsContact CB-O 3.31Å; S348-N369 WeakPolarHBondContact CB-O 3.35Å; S348-N369 PolarHBondContact OG-N 2.85Å; S348-N369 VanDerWaalsContact OG-N 3.09Å
349	E	89.9	Confident	87.1	Confident	95 Å²	95	34.8 Å²	34.8	44%	0.444	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	30.2	179	-57	170	-136.3	0	0	114.7	G323 N369 H370 N371	G323-E349 WeakPolarHBondContact CA-O 3.32Å; E349-N369 PolarHBondContact N-O 2.88Å; E349-H370 HydrophobicContact CG-CB 3.61Å; E349-N371 PolarHBondContact N-OD1 2.78Å; E349-N371 VanDerWaalsContact N-OD1 3.15Å
350	T	84.9	Confident	87.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-108.8	-6.9	179	61.7	0	0	0	0	113.7	I321 I347 S348 I352 N371	I321-T350 WeakPolarHBondContact O-CG2 3.36Å; I347-T350 HydrophobicContact CB-CG2 4.27Å; I347-T350 WeakPolarHBondContact O-CB 3.45Å; I347-T350 WeakPolarHBondContact O-CG2 3.49Å; I347-T350 PolarHBondContact O-OG1 3.34Å; S348-T350 PolarHBondContact O-N 3.09Å; T350-I352 HydrophobicContact CG2-CD1 4.38Å; T350-I352 PolarHBondContact O-N 3.43Å; T350-I352 VanDerWaalsContact O-N 3.15Å; T350-I352 WeakPolarHBondContact OG1-CB 3.49Å; T350-I352 WeakPolarHBondContact OG1-CD1 3.45Å; T350-I352 VanDerWaalsContact OG1-CG1 3.25Å; T350-I352 WeakPolarHBondContact OG1-CG1 3.22Å; T350-I352 PolarHBondContact OG1-N 3.41Å; T350-N371 PolarHBondContact N-OD1 2.95Å; T350-N371 PolarHBondContact OG1-ND2 3.35Å
351	E	85.6	Confident	87.6	Confident	116 Å²	116	33.8 Å²	33.8	54%	0.542	18%	0.183	S	C	.	.			trans	63.2	6.3	-170.9	-56.5	174.6	-163.3	0	0	114.2	H328 A353 N371	H328-E351 PolarHBondContact CD2-O 2.82Å; H328-E351 VanDerWaalsContact CD2-O 3.25Å; E351-A353 PolarHBondContact O-N 3.14Å; E351-N371 PolarHBondContact N-OD1 2.95Å
352	I	83.8	Confident	87.8	Confident	8 Å²	8	34.2 Å²	34.2	4%	0.041	18%	0.183	C	C	.	.			trans	-66	122.4	179.5	-65.5	170.9	0	0	0	110.5	H328 L331 I347 T350 N371	H328-I352 HydrophobicContact CB-CG1 4.47Å; L331-I352 HydrophobicContact CD1-CD1 3.52Å; I347-I352 HydrophobicContact CB-CD1 4.29Å; I347-I352 HydrophobicContact CD1-CB 4.08Å; I347-I352 HydrophobicContact CD1-CG2 3.84Å; I347-I352 HydrophobicContact CG2-CD1 4.12Å; T350-I352 HydrophobicContact CG2-CD1 4.38Å; T350-I352 PolarHBondContact O-N 3.43Å; T350-I352 VanDerWaalsContact O-N 3.15Å; T350-I352 WeakPolarHBondContact OG1-CB 3.49Å; T350-I352 WeakPolarHBondContact OG1-CD1 3.45Å; T350-I352 VanDerWaalsContact OG1-CG1 3.25Å; T350-I352 WeakPolarHBondContact OG1-CG1 3.22Å; T350-I352 PolarHBondContact OG1-N 3.41Å; I352-N371 PolarHBondContact O-ND2 3.44Å
353	A	84.3	Confident	87.9	Confident	38 Å²	38	34.3 Å²	34.3	31%	0.314	18%	0.184	S	C	.	.			trans	-68.9	147.4	175.8	0	0	0	0	0	112.2	E351 S355 S356	E351-A353 PolarHBondContact O-N 3.14Å; A353-S355 PolarHBondContact O-N 3.26Å; A353-S355 VanDerWaalsContact O-N 3.15Å; A353-S356 VanDerWaalsContact O-CB 3.25Å; A353-S356 WeakPolarHBondContact O-CB 3.41Å; A353-S356 PolarHBondContact O-N 3Å; A353-S356 PolarHBondContact O-OG 3.29Å
354	L	84.3	Confident	87.9	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.031	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-57.2	-31.5	179.2	-175.7	66.6	0	0	0	113.1	S356 L357 M368 L376 L380 I381	L354-S356 PolarHBondContact O-N 3.29Å; L354-L357 HydrophobicContact CD1-CD1 3.43Å; L354-L357 VanDerWaalsContact CD1-CD1 3.43Å; L354-L357 HydrophobicContact CD1-CG 4.28Å; L354-L357 HydrophobicContact CG-CD1 4.5Å; L354-L357 VanDerWaalsContact O-CB 3.31Å; L354-L357 WeakPolarHBondContact O-CB 3.31Å; L354-L357 WeakPolarHBondContact O-CG 3.28Å; L354-L357 PolarHBondContact O-N 3.34Å; L354-L357 VanDerWaalsContact O-N 3.15Å; L354-M368 HydrophobicContact CB-CE 4.05Å; L354-M368 HydrophobicContact CB-SD 4.34Å; L354-M368 HydrophobicContact CD1-CE 4.27Å; L354-M368 HydrophobicContact CD1-SD 3.43Å; L354-M368 WeakPolarHBondContact CD1-SD 3.46Å; L354-M368 HydrophobicContact CG-SD 4.41Å; L354-L376 HydrophobicContact CD2-CD2 4Å; L354-L380 CarbonylContact C-O 3.34Å; L354-L380 HydrophobicContact CB-CB 4.09Å; L354-L380 HydrophobicContact CB-CD1 4.47Å; L354-L380 HydrophobicContact CD2-CB 3.77Å; L354-L380 HydrophobicContact CD2-CD1 4.23Å; L354-L380 HydrophobicContact CG-CB 4.03Å; L354-I381 HydrophobicContact CD2-CD1 3.93Å; L354-I381 HydrophobicContact CD2-CG1 3.61Å; L354-I381 HydrophobicContact CG-CG1 4.03Å
355	S	82.7	Confident	88	Confident	53 Å²	53	31.6 Å²	31.6	37%	0.371	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-61.4	-28.1	174.7	51.3	0	0	0	0	113.8	A353 L357 S358 L380	A353-S355 PolarHBondContact O-N 3.26Å; A353-S355 VanDerWaalsContact O-N 3.15Å; S355-L357 PolarHBondContact O-N 3.48Å; S355-S358 WeakPolarHBondContact O-CB 3.17Å; S355-S358 PolarHBondContact O-N 2.78Å; S355-S358 PolarHBondContact O-OG 3.3Å; S355-L380 WeakPolarHBondContact CA-O 3.32Å; S355-L380 PolarHBondContact N-O 2.75Å
356	S	80.8	Confident	88.1	Confident	29 Å²	29	31.5 Å²	31.5	20%	0.203	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-71.4	-13.4	179.1	-54.5	0	0	0	0	112.4	A353 L354 S358 V359	A353-S356 VanDerWaalsContact O-CB 3.25Å; A353-S356 WeakPolarHBondContact O-CB 3.41Å; A353-S356 PolarHBondContact O-N 3Å; A353-S356 PolarHBondContact O-OG 3.29Å; L354-S356 PolarHBondContact O-N 3.29Å; S356-S358 PolarHBondContact O-N 3.26Å; S356-V359 WeakPolarHBondContact O-CG2 3.31Å; S356-V359 PolarHBondContact O-N 3.49Å
357	L	85.7	Confident	88.3	Confident	17 Å²	17	34 Å²	34	9%	0.089	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-62.6	-8.7	172.1	-63.8	-174.3	0	0	0	113.6	L345 I347 L354 S355 V359 F360 V366 I387	L345-L357 HydrophobicContact CD2-CD2 3.72Å; I347-L357 HydrophobicContact CD1-CD2 3.85Å; L354-L357 HydrophobicContact CD1-CD1 3.43Å; L354-L357 VanDerWaalsContact CD1-CD1 3.43Å; L354-L357 HydrophobicContact CD1-CG 4.28Å; L354-L357 HydrophobicContact CG-CD1 4.5Å; L354-L357 VanDerWaalsContact O-CB 3.31Å; L354-L357 WeakPolarHBondContact O-CB 3.31Å; L354-L357 WeakPolarHBondContact O-CG 3.28Å; L354-L357 PolarHBondContact O-N 3.34Å; L354-L357 VanDerWaalsContact O-N 3.15Å; S355-L357 PolarHBondContact O-N 3.48Å; L357-V359 PolarHBondContact O-N 3.46Å; L357-V359 VanDerWaalsContact O-N 3.17Å; L357-F360 HydrophobicContact CD2-CD2 4.45Å; L357-F360 PolarHBondContact O-N 3.07Å; L357-V366 HydrophobicContact CD1-CG1 4.02Å; L357-V366 HydrophobicContact CD1-CG2 4.25Å; L357-V366 HydrophobicContact CD2-CG1 4.34Å; L357-I387 HydrophobicContact CD1-CD1 4.03Å
358	S	81.5	Confident	88.4	Confident	42 Å²	42	34 Å²	34	29%	0.294	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-56.8	-23.4	172.7	53.6	0	0	0	0	114.7	S355 S356 F360	S355-S358 WeakPolarHBondContact O-CB 3.17Å; S355-S358 PolarHBondContact O-N 2.78Å; S355-S358 PolarHBondContact O-OG 3.3Å; S356-S358 PolarHBondContact O-N 3.26Å; S358-F360 VanDerWaalsContact C-N 3.31Å
359	V	83	Confident	88.6	Confident	21 Å²	21	34.8 Å²	34.8	13%	0.127	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-79.4	-9.8	174.7	-55.5	0	0	0	0	113.6	F339 S356 L357 P361	F339-V359 HydrophobicContact CD2-CB 4.3Å; F339-V359 HydrophobicContact CD2-CG2 4.1Å; F339-V359 HydrophobicContact CE2-CG2 4.31Å; F339-V359 PolarHBondContact N-O 3Å; S356-V359 WeakPolarHBondContact O-CG2 3.31Å; S356-V359 PolarHBondContact O-N 3.49Å; L357-V359 PolarHBondContact O-N 3.46Å; L357-V359 VanDerWaalsContact O-N 3.17Å; V359-P361 VanDerWaalsContact O-CD 3.27Å; V359-P361 WeakPolarHBondContact O-CD 3.26Å
360	F	87.8	Confident	88.8	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.035	19%	0.185	C	C	.	.			trans	-116.3	73.6	178.5	-59.9	-80.4	0	0	0	110.8	L319 L331 F339 V342 L345 L357 S358 N362 V363	L319-F360 HydrophobicContact CD2-CE1 4.32Å; L331-F360 HydrophobicContact CD2-CZ 4.23Å; F339-F360 HydrophobicContact CB-CD1 3.49Å; F339-F360 VanDerWaalsContact CB-CD1 3.49Å; F339-F360 HydrophobicContact CB-CE1 3.59Å; F339-F360 HydrophobicContact CB-CG 4.49Å; F339-F360 AromaticContact CD2-CD1 3.93Å; F339-F360 HydrophobicContact CD2-CD1 3.93Å; F339-F360 AromaticContact CD2-CE1 3.44Å; F339-F360 HydrophobicContact CD2-CE1 3.44Å; F339-F360 VanDerWaalsContact CD2-CE1 3.44Å; F339-F360 HydrophobicContact CD2-CE2 4.46Å; F339-F360 AromaticContact CD2-CZ 3.74Å; F339-F360 HydrophobicContact CD2-CZ 3.74Å; F339-F360 HydrophobicContact CE2-CE1 4.3Å; F339-F360 HydrophobicContact CE2-CZ 4.24Å; F339-F360 HydrophobicContact CG-CD1 4.05Å; F339-F360 AromaticContact CG-CE1 3.66Å; F339-F360 HydrophobicContact CG-CE1 3.66Å; F339-F360 HydrophobicContact CG-CZ 4.39Å; V342-F360 HydrophobicContact CB-CD1 3.99Å; V342-F360 HydrophobicContact CB-CE1 4.49Å; V342-F360 HydrophobicContact CG1-CD1 4.07Å; V342-F360 HydrophobicContact CG1-CE1 4.45Å; V342-F360 HydrophobicContact CG2-CD1 4.28Å; V342-F360 HydrophobicContact CG2-CE1 4.35Å; L345-F360 HydrophobicContact CD1-CE1 4.27Å; L345-F360 HydrophobicContact CD1-CE2 4.49Å; L345-F360 HydrophobicContact CD1-CZ 4.14Å; L345-F360 HydrophobicContact CD2-CD1 4.36Å; L345-F360 HydrophobicContact CD2-CD2 3.59Å; L345-F360 HydrophobicContact CD2-CE1 4.44Å; L345-F360 HydrophobicContact CD2-CE2 3.67Å; L345-F360 HydrophobicContact CD2-CG 3.96Å; L345-F360 HydrophobicContact CD2-CZ 4.12Å; L357-F360 HydrophobicContact CD2-CD2 4.45Å; L357-F360 PolarHBondContact O-N 3.07Å; S358-F360 VanDerWaalsContact C-N 3.31Å; F360-N362 VanDerWaalsContact C-N 3.28Å; F360-N362 PolarHBondContact O-N 3.33Å; F360-V363 HydrophobicContact CB-CB 4.13Å; F360-V363 HydrophobicContact CB-CG1 4.25Å; F360-V363 WeakPolarHBondContact O-CG1 3.48Å; F360-V363 PolarHBondContact O-N 2.94Å
361	P	87.6	Confident	89	Confident	46 Å²	46	34.5 Å²	34.5	30%	0.299	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.5	-168.4	26.3	-35.6	0	0	0	114.8	A338 V359	A338-P361 HydrophobicContact CB-CG 4.4Å; V359-P361 VanDerWaalsContact O-CD 3.27Å; V359-P361 WeakPolarHBondContact O-CD 3.26Å
362	N	91.3	Very high	89.2	Confident	46 Å²	46	32.6 Å²	32.6	25%	0.246	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	6.1	-175.6	-74.5	-44.3	0	0	0	114.5	S340 V342 F360 R364 R386	S340-N362 WeakPolarHBondContact O-CB 3.32Å; S340-N362 PolarHBondContact O-ND2 3.5Å; V342-N362 CarbonylContact O-C 3.58Å; F360-N362 VanDerWaalsContact C-N 3.28Å; F360-N362 PolarHBondContact O-N 3.33Å; N362-R364 PolarHBondContact O-N 2.91Å; N362-R386 PolarHBondContact OD1-NH1 2.91Å
363	V	93.5	Very high	89.6	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.018	19%	0.185	C	C	.	.			trans	-63.3	133.5	-176.3	75.6	0	0	0	0	112.2	V342 L345 F360 V365 V366 R386 I387	V342-V363 PolarHBondContact O-N 2.98Å; L345-V363 HydrophobicContact CB-CG2 3.8Å; F360-V363 HydrophobicContact CB-CB 4.13Å; F360-V363 HydrophobicContact CB-CG1 4.25Å; F360-V363 WeakPolarHBondContact O-CG1 3.48Å; F360-V363 PolarHBondContact O-N 2.94Å; V363-V365 WeakPolarHBondContact CG2-O 3.31Å; V363-V366 HydrophobicContact CB-CG2 4.32Å; V363-V366 HydrophobicContact CG1-CG2 3.77Å; V363-V366 HydrophobicContact CG2-CG2 3.56Å; V363-R386 CarbonylContact O-C 3.42Å; V363-I387 HydrophobicContact CG1-CD1 4.42Å; V363-I387 HydrophobicContact CG1-CG1 4Å; V363-I387 PolarHBondContact O-N 3.31Å
364	R	95.7	Very high	89.9	Confident	108 Å²	108	34.8 Å²	34.8	41%	0.408	19%	0.192	S	C	.	.			trans	-115.3	-29.3	-178.4	-65.4	-177.7	177.9	156.3	-2.7	113	E343 N362 R386 S388 I389	E343-R364 PolarHBondContact O-N 3Å; E343-R364 IonicContact OE1-CZ 3.42Å; E343-R364 IonicContact OE1-NH1 3.35Å; E343-R364 PolarHBondContact OE1-NH1 3.14Å; E343-R364 IonicContact OE1-NH2 3.74Å; E343-R364 IonicContact OE2-CZ 2.83Å; E343-R364 IonicContact OE2-NE 3.71Å; E343-R364 IonicContact OE2-NH1 2.71Å; E343-R364 PolarHBondContact OE2-NH1 3.24Å; N362-R364 PolarHBondContact O-N 2.91Å; R364-R386 HydrophobicContact CG-CB 4.47Å; R364-S388 WeakPolarHBondContact O-CA 3.24Å; R364-S388 PolarHBondContact O-N 3.31Å; R364-S388 PolarHBondContact O-OG 3.43Å; R364-I389 PolarHBondContact O-N 3.17Å
365	V	97.7	Very high	90.2	Very high	14 Å²	14	39.5 Å²	39.5	9%	0.085	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.4	179.1	-177.7	0	0	0	0	108.1	E343 R344 L345 V363 F367 I389	E343-V365 PolarHBondContact O-N 2.82Å; E343-V365 VanDerWaalsContact O-N 3.12Å; R344-V365 WeakPolarHBondContact CA-O 3.28Å; R344-V365 HydrophobicContact CB-CB 4.22Å; R344-V365 HydrophobicContact CG-CB 3.89Å; R344-V365 HydrophobicContact CG-CG2 4.04Å; L345-V365 PolarHBondContact N-O 3.39Å; V363-V365 WeakPolarHBondContact CG2-O 3.31Å; V365-F367 HydrophobicContact CG1-CD2 4.23Å; V365-F367 HydrophobicContact CG1-CE2 3.48Å; V365-F367 VanDerWaalsContact CG1-CE2 3.48Å; V365-F367 HydrophobicContact CG1-CZ 3.85Å; V365-I389 HydrophobicContact CB-CB 4.41Å; V365-I389 HydrophobicContact CG1-CB 4.07Å; V365-I389 HydrophobicContact CG1-CG2 4.17Å; V365-I389 HydrophobicContact CG2-CB 4.26Å; V365-I389 HydrophobicContact CG2-CD1 4.12Å; V365-I389 HydrophobicContact CG2-CG1 4.36Å
366	V	95.8	Very high	90.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.7	-178.3	-178	0	0	0	0	110.2	L345 L357 V363 M368 I387 I389 L390 H391	L345-V366 WeakPolarHBondContact O-CA 3.39Å; L357-V366 HydrophobicContact CD1-CG1 4.02Å; L357-V366 HydrophobicContact CD1-CG2 4.25Å; L357-V366 HydrophobicContact CD2-CG1 4.34Å; V363-V366 HydrophobicContact CB-CG2 4.32Å; V363-V366 HydrophobicContact CG1-CG2 3.77Å; V363-V366 HydrophobicContact CG2-CG2 3.56Å; V366-M368 HydrophobicContact CG1-CB 4.43Å; V366-M368 HydrophobicContact CG1-CG 4.36Å; V366-I387 HydrophobicContact CG2-CD1 4.06Å; V366-I387 HydrophobicContact CG2-CG1 4.03Å; V366-I389 PolarHBondContact N-O 3.28Å; V366-L390 HydrophobicContact CB-CD1 4.04Å; V366-L390 HydrophobicContact CG1-CD1 4.17Å; V366-H391 PolarHBondContact O-N 3Å
367	F	96.3	Very high	90.9	Very high	62 Å²	62	37.6 Å²	37.6	27%	0.272	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.3	166	-55.3	-85.5	0	0	0	108.5	L345 D346 I347 S348 V365 H391	L345-F367 PolarHBondContact O-N 2.87Å; D346-F367 HydrophobicContact CB-CB 4.09Å; D346-F367 HydrophobicContact CB-CD2 4.22Å; I347-F367 WeakPolarHBondContact CG1-O 3.33Å; I347-F367 PolarHBondContact N-O 3.37Å; S348-F367 PolarHBondContact N-O 3.09Å; V365-F367 HydrophobicContact CG1-CD2 4.23Å; V365-F367 HydrophobicContact CG1-CE2 3.48Å; V365-F367 VanDerWaalsContact CG1-CE2 3.48Å; V365-F367 HydrophobicContact CG1-CZ 3.85Å; F367-H391 HydrophobicContact CD1-CB 3.62Å; F367-H391 AromaticContact CD1-CG 3.67Å; F367-H391 AromaticContact CD1-ND1 3.65Å; F367-H391 HydrophobicContact CE1-CB 4.21Å; F367-H391 AromaticContact CE1-CE1 3.8Å; F367-H391 AromaticContact CE1-CG 3.73Å; F367-H391 AromaticContact CE1-ND1 3.46Å; F367-H391 WeakPolarHBondContact CE1-ND1 3.33Å; F367-H391 HydrophobicContact CG-CB 4.49Å
368	M	92.8	Very high	90.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.			trans	-138.8	38.6	179.5	57.1	173.3	-65.2	0	0	110.4	I347 L354 V366 N371 L390 H391 M392 C395	I347-M368 HydrophobicContact CD1-CB 4.15Å; I347-M368 HydrophobicContact CG1-CB 3.95Å; L354-M368 HydrophobicContact CB-CE 4.05Å; L354-M368 HydrophobicContact CB-SD 4.34Å; L354-M368 HydrophobicContact CD1-CE 4.27Å; L354-M368 HydrophobicContact CD1-SD 3.43Å; L354-M368 WeakPolarHBondContact CD1-SD 3.46Å; L354-M368 HydrophobicContact CG-SD 4.41Å; V366-M368 HydrophobicContact CG1-CB 4.43Å; V366-M368 HydrophobicContact CG1-CG 4.36Å; M368-N371 HydrophobicContact CE-CB 4.47Å; M368-N371 WeakPolarHBondContact O-CB 3.42Å; M368-N371 PolarHBondContact O-N 3.31Å; M368-L390 HydrophobicContact CG-CD1 4.38Å; M368-L390 HydrophobicContact SD-CD1 4.12Å; M368-H391 WeakPolarHBondContact CG-O 3.44Å; M368-H391 PolarHBondContact N-O 3.22Å; M368-M392 HydrophobicContact CE-CE 3.29Å; M368-M392 HydrophobicContact CE-SD 4.4Å; M368-M392 HydrophobicContact CG-CB 4.46Å; M368-M392 HydrophobicContact CG-CE 4.38Å; M368-M392 HydrophobicContact CG-CG 3.71Å; M368-M392 HydrophobicContact SD-CE 3.59Å; M368-M392 VanDerWaalsContact SD-CE 3.59Å; M368-M392 HydrophobicContact SD-CG 3.82Å; M368-M392 HydrophobicContact SD-SD 3.9Å; M368-C395 PolarHBondContact O-SG 2.86Å
369	N	95.3	Very high	90.4	Very high	18 Å²	18	49.1 Å²	49.1	10%	0.096	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	150.1	-177.3	-58.6	-33.5	0	0	0	110	S348 E349 N371 H391 M392 E393	S348-N369 CarbonylContact C-O 3.55Å; S348-N369 WeakPolarHBondContact CA-O 3.18Å; S348-N369 VanDerWaalsContact CB-O 3.31Å; S348-N369 WeakPolarHBondContact CB-O 3.35Å; S348-N369 PolarHBondContact OG-N 2.85Å; S348-N369 VanDerWaalsContact OG-N 3.09Å; E349-N369 PolarHBondContact N-O 2.88Å; N369-N371 PolarHBondContact O-N 3.34Å; N369-N371 VanDerWaalsContact O-N 3.12Å; N369-H391 VanDerWaalsContact OD1-C 3.23Å; N369-H391 PolarHBondContact OD1-O 3.1Å; N369-M392 PolarHBondContact OD1-N 3.3Å; N369-E393 CarbonylContact C-O 3.52Å; N369-E393 VanDerWaalsContact CA-O 3.29Å; N369-E393 WeakPolarHBondContact CA-O 3.47Å; N369-E393 HydrophobicContact CB-CB 4.18Å; N369-E393 WeakPolarHBondContact OD1-CB 3.3Å; N369-E393 WeakPolarHBondContact OD1-CG 3.5Å; N369-E393 PolarHBondContact OD1-N 3.35Å
370	H	94.3	Very high	90.1	Very high	88 Å²	88	49.8 Å²	49.8	41%	0.407	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	16.4	-179.9	-51.8	86.5	0	0	0	115	E349 E393 H394	E349-H370 HydrophobicContact CG-CB 3.61Å; H370-E393 PolarHBondContact N-O 2.93Å; H370-H394 WeakPolarHBondContact CA-O 3.26Å; H370-H394 WeakPolarHBondContact CD2-CB 3.45Å; H370-H394 AromaticContact CD2-CG 3.82Å; H370-H394 AromaticContact CE1-CD2 3.85Å; H370-H394 WeakPolarHBondContact NE2-CB 3.46Å; H370-H394 AromaticContact NE2-CD2 3.5Å; H370-H394 PolarHBondContact NE2-CD2 2.79Å; H370-H394 AromaticContact NE2-CG 3.44Å
371	N	90.3	Very high	89.9	Confident	2 Å²	2	50 Å²	50	1%	0.011	24%	0.24	C	C	.	.			trans	-92.2	117.7	170.9	-70.7	-9.3	0	0	0	109.6	I347 E349 T350 E351 I352 M368 N369 T373 C395	I347-N371 PolarHBondContact O-ND2 2.9Å; I347-N371 PolarHBondContact O-OD1 2.87Å; E349-N371 PolarHBondContact N-OD1 2.78Å; E349-N371 VanDerWaalsContact N-OD1 3.15Å; T350-N371 PolarHBondContact N-OD1 2.95Å; T350-N371 PolarHBondContact OG1-ND2 3.35Å; E351-N371 PolarHBondContact N-OD1 2.95Å; I352-N371 PolarHBondContact O-ND2 3.44Å; M368-N371 HydrophobicContact CE-CB 4.47Å; M368-N371 WeakPolarHBondContact O-CB 3.42Å; M368-N371 PolarHBondContact O-N 3.31Å; N369-N371 PolarHBondContact O-N 3.34Å; N369-N371 VanDerWaalsContact O-N 3.12Å; N371-T373 PolarHBondContact O-N 3.36Å; N371-T373 VanDerWaalsContact O-N 3.09Å; N371-T373 PolarHBondContact O-OG1 3.33Å; N371-T373 VanDerWaalsContact O-OG1 3.12Å; N371-C395 WeakPolarHBondContact O-CA 3.49Å; N371-C395 VanDerWaalsContact O-CB 3.29Å; N371-C395 WeakPolarHBondContact O-CB 3.29Å; N371-C395 PolarHBondContact O-SG 2.78Å; N371-C395 VanDerWaalsContact O-SG 3.39Å
372	P	90	Very high	89.4	Confident	76 Å²	76	54.5 Å²	54.5	49%	0.494	25%	0.251	S	S	.	.			trans	-61	117.7	-173.1	24.6	-33.8	0	0	0	111.3
373	T	91.2	Very high	88.7	Confident	14 Å²	14	57.7 Å²	57.7	9%	0.086	27%	0.274	C	S	.	.			trans	-141.3	83.9	-177.2	-54.4	0	0	0	0	109.4	N371 Y375 L376 M392 C395 I397	N371-T373 PolarHBondContact O-N 3.36Å; N371-T373 VanDerWaalsContact O-N 3.09Å; N371-T373 PolarHBondContact O-OG1 3.33Å; N371-T373 VanDerWaalsContact O-OG1 3.12Å; T373-Y375 VanDerWaalsContact C-N 3.34Å; T373-Y375 PolarHBondContact O-N 3.13Å; T373-L376 HydrophobicContact CG2-CD2 3.52Å; T373-L376 HydrophobicContact CG2-CG 4.17Å; T373-M392 HydrophobicContact CG2-CE 4.18Å; T373-C395 CarbonylContact C-O 3.53Å; T373-C395 WeakPolarHBondContact CA-O 3.35Å; T373-C395 PolarHBondContact N-O 3.04Å; T373-I397 HydrophobicContact CG2-CG1 4.49Å; T373-I397 WeakPolarHBondContact O-CA 3.27Å; T373-I397 WeakPolarHBondContact O-CG1 3.23Å; T373-I397 PolarHBondContact O-N 3.17Å
374	V	91.1	Very high	87.9	Confident	77 Å²	77	63.8 Å²	63.8	47%	0.467	31%	0.306	S	S	.	.	S	Bend	trans	-65.9	-35.8	-174.4	-177	0	0	0	0	112.7	R398	V374-R398 HydrophobicContact CG1-CB 4.48Å; V374-R398 HydrophobicContact CG1-CG 4.21Å; V374-R398 PolarHBondContact O-N 3.37Å
375	Y	89.8	Confident	87.4	Confident	106 Å²	106	59.7 Å²	59.7	42%	0.416	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.4	-176.9	-173.3	-109.3	0	0	0	110.9	T373 D377 Q399 S401	T373-Y375 VanDerWaalsContact C-N 3.34Å; T373-Y375 PolarHBondContact O-N 3.13Å; Y375-D377 HydrophobicContact CD1-CB 3.65Å; Y375-D377 HydrophobicContact CE1-CB 3.35Å; Y375-Q399 HydrophobicContact CD2-CB 3.93Å; Y375-Q399 HydrophobicContact CD2-CG 4.13Å; Y375-Q399 HydrophobicContact CE2-CB 4.12Å; Y375-Q399 HydrophobicContact CE2-CG 3.77Å; Y375-S401 WeakPolarHBondContact OH-CB 3.36Å
376	L	90.1	Very high	87.1	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115	172.3	-75.7	-179.1	0	0	0	110.7	L354 T373 L380 M392 I397 Q399 I400 S401 A404 L417	L354-L376 HydrophobicContact CD2-CD2 4Å; T373-L376 HydrophobicContact CG2-CD2 3.52Å; T373-L376 HydrophobicContact CG2-CG 4.17Å; L376-L380 HydrophobicContact CD2-CD1 4.04Å; L376-M392 HydrophobicContact CD1-CE 4.44Å; L376-M392 HydrophobicContact CD1-SD 4.16Å; L376-M392 HydrophobicContact CD2-CE 3.68Å; L376-M392 HydrophobicContact CD2-SD 4.12Å; L376-I397 HydrophobicContact CD1-CD1 3.7Å; L376-I397 HydrophobicContact CD1-CG1 4.32Å; L376-I397 HydrophobicContact CD1-CG2 4.11Å; L376-I397 HydrophobicContact CG-CD1 4.18Å; L376-I397 HydrophobicContact CG-CG1 4.3Å; L376-I397 HydrophobicContact CG-CG2 4.05Å; L376-Q399 PolarHBondContact N-O 2.8Å; L376-I400 HydrophobicContact CB-CB 4.44Å; L376-I400 HydrophobicContact CB-CG1 4.29Å; L376-I400 HydrophobicContact CB-CG2 4.12Å; L376-I400 HydrophobicContact CD1-CD1 4.36Å; L376-I400 HydrophobicContact CD1-CG1 4.17Å; L376-S401 WeakPolarHBondContact O-CB 3.48Å; L376-S401 PolarHBondContact O-N 3.05Å; L376-S401 PolarHBondContact O-OG 2.98Å; L376-A404 HydrophobicContact CB-CB 4.31Å; L376-A404 WeakPolarHBondContact O-CB 3.42Å; L376-L417 HydrophobicContact CD1-CD2 4.38Å
377	D	87.4	Confident	87.1	Confident	38 Å²	38	65.4 Å²	65.4	20%	0.203	31%	0.313	C	S	.	.			trans	-122	171.8	-179.3	82.3	33.3	0	0	0	113.9	Y375 R379 L380 S401	Y375-D377 HydrophobicContact CD1-CB 3.65Å; Y375-D377 HydrophobicContact CE1-CB 3.35Å; D377-R379 VanDerWaalsContact C-N 3.3Å; D377-R379 PolarHBondContact O-N 3.24Å; D377-R379 WeakPolarHBondContact OD1-CA 3.44Å; D377-R379 VanDerWaalsContact OD1-CB 3.24Å; D377-R379 WeakPolarHBondContact OD1-CB 3.29Å; D377-R379 PolarHBondContact OD1-N 2.67Å; D377-L380 WeakPolarHBondContact OD1-CG 3.38Å; D377-L380 PolarHBondContact OD1-N 3.46Å; D377-S401 WeakPolarHBondContact CA-OG 3.19Å
378	N	78.9	Confident	87.1	Confident	85 Å²	85	63.7 Å²	63.7	46%	0.455	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.1	-175.6	68.1	-29.8	0	0	0	114.4	Y403	N378-Y403 WeakPolarHBondContact CB-O 3.37Å
379	R	78.5	Confident	87.4	Confident	216 Å²	216	65.8 Å²	65.8	82%	0.815	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-18.7	176.1	-56.6	176.7	176.6	177.2	-2.2	111.6	D377	D377-R379 VanDerWaalsContact C-N 3.3Å; D377-R379 PolarHBondContact O-N 3.24Å; D377-R379 WeakPolarHBondContact OD1-CA 3.44Å; D377-R379 VanDerWaalsContact OD1-CB 3.24Å; D377-R379 WeakPolarHBondContact OD1-CB 3.29Å; D377-R379 PolarHBondContact OD1-N 2.67Å
380	L	77.6	Confident	87.5	Confident	35 Å²	35	65 Å²	65	18%	0.183	32%	0.316	C	S	.	.	S	Bend	trans	-74.8	-24.3	-177.3	-58.6	179.5	0	0	0	113.8	L354 S355 L376 D377	L354-L380 CarbonylContact C-O 3.34Å; L354-L380 HydrophobicContact CB-CB 4.09Å; L354-L380 HydrophobicContact CB-CD1 4.47Å; L354-L380 HydrophobicContact CD2-CB 3.77Å; L354-L380 HydrophobicContact CD2-CD1 4.23Å; L354-L380 HydrophobicContact CG-CB 4.03Å; S355-L380 WeakPolarHBondContact CA-O 3.32Å; S355-L380 PolarHBondContact N-O 2.75Å; L376-L380 HydrophobicContact CD2-CD1 4.04Å; D377-L380 WeakPolarHBondContact OD1-CG 3.38Å; D377-L380 PolarHBondContact OD1-N 3.46Å
381	I	81.8	Confident	87.6	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.062	30%	0.301	C	S	.	.	S	Bend	trans	-119.3	127.3	-176.1	-52.9	178.7	0	0	0	109.7	L354 L405 P407 L408	L354-I381 HydrophobicContact CD2-CD1 3.93Å; L354-I381 HydrophobicContact CD2-CG1 3.61Å; L354-I381 HydrophobicContact CG-CG1 4.03Å; I381-L405 HydrophobicContact CD1-CD2 3.95Å; I381-P407 HydrophobicContact CB-CB 4.42Å; I381-P407 HydrophobicContact CB-CG 4.27Å; I381-P407 HydrophobicContact CG2-CB 3.92Å; I381-P407 HydrophobicContact CG2-CG 4.31Å; I381-L408 HydrophobicContact CD1-CD1 3.85Å; I381-L408 HydrophobicContact CD1-CG 4.25Å; I381-L408 HydrophobicContact CG2-CD2 3.9Å; I381-L408 HydrophobicContact CG2-CG 4.15Å
382	R	79.1	Confident	87.9	Confident	141 Å²	141	61.7 Å²	61.7	53%	0.532	30%	0.3	S	S	.	.			trans	-63.3	142.8	176.2	-75.3	-168.3	170.2	-161.1	3	111.6	I384 S385 P407	R382-I384 HydrophobicContact CB-CG1 4.45Å; R382-I384 PolarHBondContact O-N 3.16Å; R382-I384 VanDerWaalsContact O-N 3.1Å; R382-S385 VanDerWaalsContact O-CB 3.3Å; R382-S385 WeakPolarHBondContact O-CB 3.27Å; R382-S385 PolarHBondContact O-N 3.26Å; R382-S385 VanDerWaalsContact O-N 3.1Å; R382-P407 WeakPolarHBondContact O-CB 3.29Å
383	P	75.3	Confident	88.2	Confident	113 Å²	113	60.2 Å²	60.2	73%	0.734	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-29	177.2	-28.2	35.3	0	0	0	115.5
384	I	76.1	Confident	88.5	Confident	131 Å²	131	63.2 Å²	63.2	67%	0.672	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	13.8	-177.1	58.2	168.5	0	0	0	113.7	R382	R382-I384 HydrophobicContact CB-CG1 4.45Å; R382-I384 PolarHBondContact O-N 3.16Å; R382-I384 VanDerWaalsContact O-N 3.1Å
385	S	85.7	Confident	88.7	Confident	21 Å²	21	59.5 Å²	59.5	15%	0.147	28%	0.277	C	S	.	.			trans	-63.2	138.9	-177.5	-176.7	0	0	0	0	112	R382 I387 L408	R382-S385 VanDerWaalsContact O-CB 3.3Å; R382-S385 WeakPolarHBondContact O-CB 3.27Å; R382-S385 PolarHBondContact O-N 3.26Å; R382-S385 VanDerWaalsContact O-N 3.1Å; S385-I387 VanDerWaalsContact OG-CD1 3.31Å; S385-I387 WeakPolarHBondContact OG-CD1 3.34Å; S385-I387 VanDerWaalsContact OG-CG1 3.27Å; S385-I387 WeakPolarHBondContact OG-CG1 3.03Å; S385-L408 WeakPolarHBondContact OG-CD2 3.25Å
386	R	91.5	Very high	88.9	Confident	132 Å²	132	59.1 Å²	59.1	50%	0.498	28%	0.279	S	S	.	.			trans	-102.1	12.5	-179.6	-66.5	-179.8	170.2	176.8	-6.4	113.2	N362 V363 R364 S388	N362-R386 PolarHBondContact OD1-NH1 2.91Å; V363-R386 CarbonylContact O-C 3.42Å; R364-R386 HydrophobicContact CG-CB 4.47Å; R386-S388 PolarHBondContact O-N 3.47Å
387	I	95.3	Very high	89.2	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	28%	0.278	C	S	.	.			trans	-61	124.9	-175.6	-63.2	165.7	0	0	0	109.9	L357 V363 V366 S385 I389 L390 L408 T411 L412	L357-I387 HydrophobicContact CD1-CD1 4.03Å; V363-I387 HydrophobicContact CG1-CD1 4.42Å; V363-I387 HydrophobicContact CG1-CG1 4Å; V363-I387 PolarHBondContact O-N 3.31Å; V366-I387 HydrophobicContact CG2-CD1 4.06Å; V366-I387 HydrophobicContact CG2-CG1 4.03Å; S385-I387 VanDerWaalsContact OG-CD1 3.31Å; S385-I387 WeakPolarHBondContact OG-CD1 3.34Å; S385-I387 VanDerWaalsContact OG-CG1 3.27Å; S385-I387 WeakPolarHBondContact OG-CG1 3.03Å; I387-I389 WeakPolarHBondContact CG2-O 3.47Å; I387-L390 HydrophobicContact CG2-CB 3.91Å; I387-L408 HydrophobicContact CB-CD1 4.24Å; I387-L408 HydrophobicContact CB-CD2 3.89Å; I387-L408 HydrophobicContact CG2-CD1 4.37Å; I387-T411 CarbonylContact O-C 3.58Å; I387-T411 VanDerWaalsContact O-CB 3.26Å; I387-T411 WeakPolarHBondContact O-CB 3.16Å; I387-T411 PolarHBondContact O-OG1 3.5Å; I387-L412 HydrophobicContact CG2-CD1 4.18Å; I387-L412 PolarHBondContact O-N 3.04Å
388	S	97	Very high	89.5	Confident	27 Å²	27	64.6 Å²	64.6	19%	0.189	30%	0.297	C	S	.	.	S	Bend	trans	-111.4	-28.5	179.2	69.1	0	0	0	0	112.7	R364 R386 T411 R413 E414	R364-S388 WeakPolarHBondContact O-CA 3.24Å; R364-S388 PolarHBondContact O-N 3.31Å; R364-S388 PolarHBondContact O-OG 3.43Å; R386-S388 PolarHBondContact O-N 3.47Å; S388-T411 WeakPolarHBondContact CA-O 3.45Å; S388-T411 WeakPolarHBondContact CB-O 3.45Å; S388-R413 PolarHBondContact O-N 3.4Å; S388-E414 PolarHBondContact O-N 3.22Å; S388-E414 VanDerWaalsContact O-N 3.1Å
389	I	98.4	Very high	90	Very high	44 Å²	44	65.8 Å²	65.8	23%	0.226	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.8	175.2	-57.7	-177.7	0	0	0	107.2	R364 V365 V366 I387 E414	R364-I389 PolarHBondContact O-N 3.17Å; V365-I389 HydrophobicContact CB-CB 4.41Å; V365-I389 HydrophobicContact CG1-CB 4.07Å; V365-I389 HydrophobicContact CG1-CG2 4.17Å; V365-I389 HydrophobicContact CG2-CB 4.26Å; V365-I389 HydrophobicContact CG2-CD1 4.12Å; V365-I389 HydrophobicContact CG2-CG1 4.36Å; V366-I389 PolarHBondContact N-O 3.28Å; I387-I389 WeakPolarHBondContact CG2-O 3.47Å; I389-E414 WeakPolarHBondContact CA-O 3.46Å; I389-E414 HydrophobicContact CB-CB 4.42Å; I389-E414 HydrophobicContact CG1-CB 4.12Å; I389-E414 HydrophobicContact CG2-CB 4.17Å; I389-E414 HydrophobicContact CG2-CG 4.29Å
390	L	96.9	Very high	90.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	117.1	178.4	-179.9	59.2	0	0	0	110.2	V366 M368 I387 M392 L405 L408 L412 E414 L415 N416	V366-L390 HydrophobicContact CB-CD1 4.04Å; V366-L390 HydrophobicContact CG1-CD1 4.17Å; M368-L390 HydrophobicContact CG-CD1 4.38Å; M368-L390 HydrophobicContact SD-CD1 4.12Å; I387-L390 HydrophobicContact CG2-CB 3.91Å; L390-M392 HydrophobicContact CD1-CG 3.97Å; L390-M392 HydrophobicContact CD1-SD 4.29Å; L390-M392 HydrophobicContact CD2-CG 4.42Å; L390-M392 HydrophobicContact CD2-SD 3.99Å; L390-M392 HydrophobicContact CG-CG 3.93Å; L390-M392 HydrophobicContact CG-SD 4.16Å; L390-L405 HydrophobicContact CD2-CD2 4.35Å; L390-L408 HydrophobicContact CD2-CD1 4.29Å; L390-L412 HydrophobicContact CB-CD1 3.93Å; L390-E414 PolarHBondContact N-O 3.09Å; L390-L415 HydrophobicContact CB-CD1 4.22Å; L390-L415 HydrophobicContact CD2-CD1 4.21Å; L390-L415 HydrophobicContact CG-CD1 4.27Å; L390-L415 WeakPolarHBondContact O-CA 3.19Å; L390-N416 PolarHBondContact O-N 2.82Å
391	H	98	Very high	91.2	Very high	20 Å²	20	54.5 Å²	54.5	9%	0.093	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.4	178.1	-74.6	-145.5	0	0	0	109.8	V366 F367 M368 N369 E393 E414 N416	V366-H391 PolarHBondContact O-N 3Å; F367-H391 HydrophobicContact CD1-CB 3.62Å; F367-H391 AromaticContact CD1-CG 3.67Å; F367-H391 AromaticContact CD1-ND1 3.65Å; F367-H391 HydrophobicContact CE1-CB 4.21Å; F367-H391 AromaticContact CE1-CE1 3.8Å; F367-H391 AromaticContact CE1-CG 3.73Å; F367-H391 AromaticContact CE1-ND1 3.46Å; F367-H391 WeakPolarHBondContact CE1-ND1 3.33Å; F367-H391 HydrophobicContact CG-CB 4.49Å; M368-H391 WeakPolarHBondContact CG-O 3.44Å; M368-H391 PolarHBondContact N-O 3.22Å; N369-H391 VanDerWaalsContact OD1-C 3.23Å; N369-H391 PolarHBondContact OD1-O 3.1Å; H391-E393 IonicContact ND1-OE1 3.14Å; H391-E414 IonicContact CD2-OE1 2.63Å; H391-E414 IonicContact CE1-OE1 3.68Å; H391-E414 PolarHBondContact CE1-OE1 3.24Å; H391-E414 IonicContact NE2-OE1 3.3Å; H391-E414 PolarHBondContact NE2-OE1 2.67Å; H391-N416 HydrophobicContact CB-CB 4.26Å
392	M	96.2	Very high	91.5	Very high	1 Å²	1	55 Å²	55	1%	0.005	26%	0.262	C	S	.	.			trans	-134.9	52.3	-178.8	-51	-173.3	62.6	0	0	110.2	M368 N369 T373 L376 L390 C395 I397 N416 L417 N420	M368-M392 HydrophobicContact CE-CE 3.29Å; M368-M392 HydrophobicContact CE-SD 4.4Å; M368-M392 HydrophobicContact CG-CB 4.46Å; M368-M392 HydrophobicContact CG-CE 4.38Å; M368-M392 HydrophobicContact CG-CG 3.71Å; M368-M392 HydrophobicContact SD-CE 3.59Å; M368-M392 VanDerWaalsContact SD-CE 3.59Å; M368-M392 HydrophobicContact SD-CG 3.82Å; M368-M392 HydrophobicContact SD-SD 3.9Å; N369-M392 PolarHBondContact OD1-N 3.3Å; T373-M392 HydrophobicContact CG2-CE 4.18Å; L376-M392 HydrophobicContact CD1-CE 4.44Å; L376-M392 HydrophobicContact CD1-SD 4.16Å; L376-M392 HydrophobicContact CD2-CE 3.68Å; L376-M392 HydrophobicContact CD2-SD 4.12Å; L390-M392 HydrophobicContact CD1-CG 3.97Å; L390-M392 HydrophobicContact CD1-SD 4.29Å; L390-M392 HydrophobicContact CD2-CG 4.42Å; L390-M392 HydrophobicContact CD2-SD 3.99Å; L390-M392 HydrophobicContact CG-CG 3.93Å; L390-M392 HydrophobicContact CG-SD 4.16Å; M392-C395 HydrophobicContact CB-CB 4.42Å; M392-C395 PolarHBondContact O-SG 3.37Å; M392-C395 VanDerWaalsContact O-SG 3.42Å; M392-I397 HydrophobicContact CB-CD1 4.15Å; M392-I397 HydrophobicContact CE-CD1 4.15Å; M392-N416 PolarHBondContact N-O 3Å; M392-L417 HydrophobicContact CB-CD2 4.01Å; M392-L417 HydrophobicContact CG-CD2 4.5Å; M392-N420 PolarHBondContact O-ND2 3.04Å
393	E	96.9	Very high	92	Very high	46 Å²	46	54.4 Å²	54.4	22%	0.215	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	147.6	176.6	-52.1	-176.3	-134.3	0	0	110.2	N369 H370 H391 C395 N416 S418	N369-E393 CarbonylContact C-O 3.52Å; N369-E393 VanDerWaalsContact CA-O 3.29Å; N369-E393 WeakPolarHBondContact CA-O 3.47Å; N369-E393 HydrophobicContact CB-CB 4.18Å; N369-E393 WeakPolarHBondContact OD1-CB 3.3Å; N369-E393 WeakPolarHBondContact OD1-CG 3.5Å; N369-E393 PolarHBondContact OD1-N 3.35Å; H370-E393 PolarHBondContact N-O 2.93Å; H391-E393 IonicContact ND1-OE1 3.14Å; E393-C395 PolarHBondContact O-N 2.95Å; E393-C395 PolarHBondContact O-SG 3.48Å; E393-N416 HydrophobicContact CG-CB 4.39Å; E393-N416 WeakPolarHBondContact CG-ND2 3.2Å; E393-N416 PolarHBondContact OE1-ND2 2.95Å; E393-S418 WeakPolarHBondContact CA-O 3.48Å; E393-S418 VanDerWaalsContact CG-OG 3.29Å; E393-S418 WeakPolarHBondContact CG-OG 3.16Å; E393-S418 PolarHBondContact OE2-OG 3.03Å; E393-S418 VanDerWaalsContact OE2-OG 3.12Å
394	H	96.7	Very high	92.6	Very high	76 Å²	76	49.1 Å²	49.1	35%	0.352	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	28.8	175	-67.2	-87.4	0	0	0	115.2	H370 S418 Y419	H370-H394 WeakPolarHBondContact CA-O 3.26Å; H370-H394 WeakPolarHBondContact CD2-CB 3.45Å; H370-H394 AromaticContact CD2-CG 3.82Å; H370-H394 AromaticContact CE1-CD2 3.85Å; H370-H394 WeakPolarHBondContact NE2-CB 3.46Å; H370-H394 AromaticContact NE2-CD2 3.5Å; H370-H394 PolarHBondContact NE2-CD2 2.79Å; H370-H394 AromaticContact NE2-CG 3.44Å; H394-S418 PolarHBondContact N-O 3.42Å; H394-Y419 AromaticContact CD2-CG 3.92Å; H394-Y419 WeakPolarHBondContact CE1-CB 3.37Å; H394-Y419 AromaticContact CE1-CD1 3.5Å; H394-Y419 AromaticContact CE1-CG 3.42Å; H394-Y419 VanDerWaalsContact CE1-CG 3.42Å; H394-Y419 WeakPolarHBondContact NE2-CB 3.47Å; H394-Y419 AromaticContact NE2-CD1 3.7Å; H394-Y419 AromaticContact NE2-CD2 3.52Å; H394-Y419 AromaticContact NE2-CG 3.25Å; H394-Y419 VanDerWaalsContact NE2-CG 3.25Å
395	C	95.4	Very high	93.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-91.2	8.6	-176.9	-68.1	0	0	0	0	114.1	M368 N371 T373 M392 E393 I397 N420	M368-C395 PolarHBondContact O-SG 2.86Å; N371-C395 WeakPolarHBondContact O-CA 3.49Å; N371-C395 VanDerWaalsContact O-CB 3.29Å; N371-C395 WeakPolarHBondContact O-CB 3.29Å; N371-C395 PolarHBondContact O-SG 2.78Å; N371-C395 VanDerWaalsContact O-SG 3.39Å; T373-C395 CarbonylContact C-O 3.53Å; T373-C395 WeakPolarHBondContact CA-O 3.35Å; T373-C395 PolarHBondContact N-O 3.04Å; M392-C395 HydrophobicContact CB-CB 4.42Å; M392-C395 PolarHBondContact O-SG 3.37Å; M392-C395 VanDerWaalsContact O-SG 3.42Å; E393-C395 PolarHBondContact O-N 2.95Å; E393-C395 PolarHBondContact O-SG 3.48Å; C395-I397 HydrophobicContact CB-CD1 3.94Å; C395-I397 HydrophobicContact CB-CG1 3.87Å; C395-I397 PolarHBondContact O-N 2.76Å; C395-I397 VanDerWaalsContact O-N 3.17Å; C395-N420 WeakPolarHBondContact CA-OD1 3.13Å; C395-N420 PolarHBondContact N-OD1 2.79Å; C395-N420 VanDerWaalsContact N-OD1 3.09Å
396	E	94.7	Very high	93.7	Very high	97 Å²	97	48 Å²	48	45%	0.453	21%	0.212	S	C	.	.			trans	60.2	18.9	-177.4	-53	-173.7	-164.7	0	0	116.2	R398 N420	E396-R398 PolarHBondContact O-N 3.09Å; E396-N420 PolarHBondContact N-OD1 2.94Å; E396-N420 VanDerWaalsContact N-OD1 3.13Å
397	I	94.9	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.196	C	C	.	.			trans	-63.3	122.1	-174.7	-55.7	158.2	0	0	0	110.4	T373 L376 M392 C395 I400 L417 N420 K421 L422	T373-I397 HydrophobicContact CG2-CG1 4.49Å; T373-I397 WeakPolarHBondContact O-CA 3.27Å; T373-I397 WeakPolarHBondContact O-CG1 3.23Å; T373-I397 PolarHBondContact O-N 3.17Å; L376-I397 HydrophobicContact CD1-CD1 3.7Å; L376-I397 HydrophobicContact CD1-CG1 4.32Å; L376-I397 HydrophobicContact CD1-CG2 4.11Å; L376-I397 HydrophobicContact CG-CD1 4.18Å; L376-I397 HydrophobicContact CG-CG1 4.3Å; L376-I397 HydrophobicContact CG-CG2 4.05Å; M392-I397 HydrophobicContact CB-CD1 4.15Å; M392-I397 HydrophobicContact CE-CD1 4.15Å; C395-I397 HydrophobicContact CB-CD1 3.94Å; C395-I397 HydrophobicContact CB-CG1 3.87Å; C395-I397 PolarHBondContact O-N 2.76Å; C395-I397 VanDerWaalsContact O-N 3.17Å; I397-I400 HydrophobicContact CG2-CG1 4.17Å; I397-L417 HydrophobicContact CD1-CD2 3.8Å; I397-N420 HydrophobicContact CB-CB 4.13Å; I397-N420 WeakPolarHBondContact CB-OD1 3.41Å; I397-N420 WeakPolarHBondContact CG1-OD1 3.11Å; I397-N420 PolarHBondContact N-OD1 3.09Å; I397-K421 CarbonylContact O-C 3.47Å; I397-K421 VanDerWaalsContact O-CA 3.3Å; I397-K421 WeakPolarHBondContact O-CA 3.12Å; I397-K421 PolarHBondContact O-N 3.39Å; I397-L422 HydrophobicContact CB-CD2 4.47Å; I397-L422 HydrophobicContact CG2-CD2 3.78Å; I397-L422 PolarHBondContact O-N 3.03Å; I397-L422 VanDerWaalsContact O-N 3.16Å
398	R	93.5	Very high	93.6	Very high	158 Å²	158	42.9 Å²	42.9	60%	0.596	20%	0.195	S	C	*	.			trans	-99.9	-30.4	178.1	-64.7	-177.8	-174.6	-167.3	1	113	V374 E396 K421	V374-R398 HydrophobicContact CG1-CB 4.48Å; V374-R398 HydrophobicContact CG1-CG 4.21Å; V374-R398 PolarHBondContact O-N 3.37Å; E396-R398 PolarHBondContact O-N 3.09Å; R398-K421 HydrophobicContact CG-CB 3.88Å
399	Q	89.9	Confident	93.4	Very high	109 Å²	109	46.4 Å²	46.4	51%	0.509	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	145.6	-175.8	-178	179.3	-0.8	0	0	111.9	Y375 L376	Y375-Q399 HydrophobicContact CD2-CB 3.93Å; Y375-Q399 HydrophobicContact CD2-CG 4.13Å; Y375-Q399 HydrophobicContact CE2-CB 4.12Å; Y375-Q399 HydrophobicContact CE2-CG 3.77Å; L376-Q399 PolarHBondContact N-O 2.8Å
400	I	91.7	Very high	93.2	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.2	174.8	-50.2	177.8	0	0	0	108.4	L376 I397 A404 L417 L422 N426	L376-I400 HydrophobicContact CB-CB 4.44Å; L376-I400 HydrophobicContact CB-CG1 4.29Å; L376-I400 HydrophobicContact CB-CG2 4.12Å; L376-I400 HydrophobicContact CD1-CD1 4.36Å; L376-I400 HydrophobicContact CD1-CG1 4.17Å; I397-I400 HydrophobicContact CG2-CG1 4.17Å; I400-A404 HydrophobicContact CG2-CB 3.7Å; I400-L417 HydrophobicContact CD1-CD1 3.66Å; I400-L422 HydrophobicContact CD1-CD1 4.15Å; I400-L422 HydrophobicContact CD1-CD2 4.14Å; I400-L422 HydrophobicContact CG1-CD2 3.9Å; I400-N426 VanDerWaalsContact O-CB 3.23Å; I400-N426 WeakPolarHBondContact O-CB 3.33Å; I400-N426 PolarHBondContact O-ND2 3.15Å
401	S	90.2	Very high	93.1	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.084	23%	0.232	C	C	.	.			trans	-65.7	155.4	175.7	86.1	0	0	0	0	111.1	Y375 L376 D377 Y403 A404 S429	Y375-S401 WeakPolarHBondContact OH-CB 3.36Å; L376-S401 WeakPolarHBondContact O-CB 3.48Å; L376-S401 PolarHBondContact O-N 3.05Å; L376-S401 PolarHBondContact O-OG 2.98Å; D377-S401 WeakPolarHBondContact CA-OG 3.19Å; S401-Y403 PolarHBondContact O-N 3.28Å; S401-A404 PolarHBondContact O-N 2.83Å; S401-A404 WeakPolarHBondContact OG-CB 3.47Å; S401-A404 PolarHBondContact OG-N 3.42Å; S401-A404 VanDerWaalsContact OG-N 3.15Å; S401-S429 VanDerWaalsContact O-CB 3.24Å; S401-S429 WeakPolarHBondContact O-CB 3.34Å
402	A	87.7	Confident	93	Very high	22 Å²	22	50.4 Å²	50.4	18%	0.182	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.9	-174.1	0	0	0	0	0	114	N426 R428 S429	A402-N426 VanDerWaalsContact CA-ND2 3.29Å; A402-N426 WeakPolarHBondContact CA-ND2 3.29Å; A402-N426 PolarHBondContact N-ND2 3.26Å; A402-R428 HydrophobicContact CB-CB 3.77Å; A402-R428 CarbonylContact O-C 3.5Å; A402-R428 VanDerWaalsContact O-O 3.1Å; A402-S429 VanDerWaalsContact O-CA 3.3Å; A402-S429 WeakPolarHBondContact O-CA 3.47Å; A402-S429 PolarHBondContact O-N 3.05Å
403	Y	89.1	Confident	93.1	Very high	129 Å²	129	57.8 Å²	57.8	51%	0.506	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	9.8	-176.1	-54.9	-72.4	0	0	0	112.7	N378 S401 L405 W406	N378-Y403 WeakPolarHBondContact CB-O 3.37Å; S401-Y403 PolarHBondContact O-N 3.28Å; Y403-L405 VanDerWaalsContact C-N 3.3Å; Y403-L405 PolarHBondContact O-N 2.86Å; Y403-W406 HydrophobicContact CD1-CD2 4.46Å; Y403-W406 HydrophobicContact CD1-CE3 4.12Å; Y403-W406 VanDerWaalsContact O-CB 3.23Å; Y403-W406 WeakPolarHBondContact O-CB 3.49Å; Y403-W406 PolarHBondContact O-N 3.07Å; Y403-W406 VanDerWaalsContact O-N 3.08Å
404	A	89.7	Confident	93.2	Very high	2 Å²	2	58.6 Å²	58.6	2%	0.017	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-45.8	-174.6	0	0	0	0	0	112.8	L376 I400 S401	L376-A404 HydrophobicContact CB-CB 4.31Å; L376-A404 WeakPolarHBondContact O-CB 3.42Å; I400-A404 HydrophobicContact CG2-CB 3.7Å; S401-A404 PolarHBondContact O-N 2.83Å; S401-A404 WeakPolarHBondContact OG-CB 3.47Å; S401-A404 PolarHBondContact OG-N 3.42Å; S401-A404 VanDerWaalsContact OG-N 3.15Å
405	L	92.6	Very high	93.2	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	7.1	-177.5	-58.2	171	0	0	0	112.6	I381 L390 Y403 P407 L408 L415 L430 L433	I381-L405 HydrophobicContact CD1-CD2 3.95Å; L390-L405 HydrophobicContact CD2-CD2 4.35Å; Y403-L405 VanDerWaalsContact C-N 3.3Å; Y403-L405 PolarHBondContact O-N 2.86Å; L405-P407 VanDerWaalsContact C-CD 3.41Å; L405-P407 VanDerWaalsContact C-N 3.32Å; L405-L408 HydrophobicContact CD2-CD1 4.28Å; L405-L408 PolarHBondContact O-N 2.9Å; L405-L415 HydrophobicContact CD1-CD2 3.67Å; L405-L430 HydrophobicContact CD1-CD2 3.72Å; L405-L433 HydrophobicContact CB-CD1 4.46Å; L405-L433 HydrophobicContact CB-CD2 4.15Å; L405-L433 HydrophobicContact CD1-CD1 4.26Å; L405-L433 WeakPolarHBondContact O-CD2 3.46Å
406	W	90.9	Very high	93.4	Very high	125 Å²	125	55.8 Å²	55.8	47%	0.473	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-55.3	-39.6	179.2	-174.2	-86.7	0	0	0	113.6	Y403 L408 R409 P432	Y403-W406 HydrophobicContact CD1-CD2 4.46Å; Y403-W406 HydrophobicContact CD1-CE3 4.12Å; Y403-W406 VanDerWaalsContact O-CB 3.23Å; Y403-W406 WeakPolarHBondContact O-CB 3.49Å; Y403-W406 PolarHBondContact O-N 3.07Å; Y403-W406 VanDerWaalsContact O-N 3.08Å; W406-L408 PolarHBondContact O-N 3.12Å; W406-L408 VanDerWaalsContact O-N 3.12Å; W406-R409 WeakPolarHBondContact O-CB 3.47Å; W406-R409 WeakPolarHBondContact O-CG 3.34Å; W406-R409 PolarHBondContact O-N 2.96Å; W406-P432 HydrophobicContact CE3-CB 3.94Å; W406-P432 HydrophobicContact CE3-CG 3.8Å; W406-P432 HydrophobicContact CZ3-CB 3.76Å; W406-P432 HydrophobicContact CZ3-CG 3.56Å
407	P	91.8	Very high	93.5	Very high	26 Å²	26	51.2 Å²	51.2	17%	0.169	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-55.6	-26.9	173.7	-29.2	38.8	0	0	0	114.3	I381 R382 L405	I381-P407 HydrophobicContact CB-CB 4.42Å; I381-P407 HydrophobicContact CB-CG 4.27Å; I381-P407 HydrophobicContact CG2-CB 3.92Å; I381-P407 HydrophobicContact CG2-CG 4.31Å; R382-P407 WeakPolarHBondContact O-CB 3.29Å; L405-P407 VanDerWaalsContact C-CD 3.41Å; L405-P407 VanDerWaalsContact C-N 3.32Å
408	L	93.6	Very high	93.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-96.9	7.9	-175	-52.2	-176.2	0	0	0	113.7	I381 S385 I387 L390 L405 W406 L410 T411 L412	I381-L408 HydrophobicContact CD1-CD1 3.85Å; I381-L408 HydrophobicContact CD1-CG 4.25Å; I381-L408 HydrophobicContact CG2-CD2 3.9Å; I381-L408 HydrophobicContact CG2-CG 4.15Å; S385-L408 WeakPolarHBondContact OG-CD2 3.25Å; I387-L408 HydrophobicContact CB-CD1 4.24Å; I387-L408 HydrophobicContact CB-CD2 3.89Å; I387-L408 HydrophobicContact CG2-CD1 4.37Å; L390-L408 HydrophobicContact CD2-CD1 4.29Å; L405-L408 HydrophobicContact CD2-CD1 4.28Å; L405-L408 PolarHBondContact O-N 2.9Å; W406-L408 PolarHBondContact O-N 3.12Å; W406-L408 VanDerWaalsContact O-N 3.12Å; L408-L410 PolarHBondContact O-N 2.91Å; L408-T411 PolarHBondContact O-N 3.5Å; L408-T411 PolarHBondContact O-OG1 3.38Å; L408-L412 HydrophobicContact CB-CB 3.98Å; L408-L412 HydrophobicContact CB-CD2 4.45Å; L408-L412 HydrophobicContact CD1-CD1 4.19Å; L408-L412 HydrophobicContact CD1-CD2 4.28Å; L408-L412 WeakPolarHBondContact O-CB 3.38Å; L408-L412 PolarHBondContact O-N 3.49Å
409	R	92.7	Very high	93.8	Very high	100 Å²	100	48.2 Å²	48.2	38%	0.377	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.7	-171.5	73.3	-177.3	-176.2	78.4	2.9	115.7	W406 P432 L433 A434	W406-R409 WeakPolarHBondContact O-CB 3.47Å; W406-R409 WeakPolarHBondContact O-CG 3.34Å; W406-R409 PolarHBondContact O-N 2.96Å; R409-P432 HydrophobicContact CB-CB 4.41Å; R409-L433 HydrophobicContact CB-CD2 4.34Å; R409-A434 PolarHBondContact O-N 3.41Å
410	L	93.2	Very high	94.1	Very high	109 Å²	109	43.1 Å²	43.1	57%	0.571	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-8.9	-178.8	-64.8	-177.1	0	0	0	113.6	L408 T435	L408-L410 PolarHBondContact O-N 2.91Å; L410-T435 WeakPolarHBondContact O-CG2 3.34Å
411	T	95	Very high	94.2	Very high	39 Å²	39	47.4 Å²	47.4	24%	0.239	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-35.6	-169	58	0	0	0	0	112.7	I387 S388 L408 R413	I387-T411 CarbonylContact O-C 3.58Å; I387-T411 VanDerWaalsContact O-CB 3.26Å; I387-T411 WeakPolarHBondContact O-CB 3.16Å; I387-T411 PolarHBondContact O-OG1 3.5Å; S388-T411 WeakPolarHBondContact CA-O 3.45Å; S388-T411 WeakPolarHBondContact CB-O 3.45Å; L408-T411 PolarHBondContact O-N 3.5Å; L408-T411 PolarHBondContact O-OG1 3.38Å; T411-R413 PolarHBondContact O-N 2.82Å
412	L	96.9	Very high	94.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.206	C	C	.	.			trans	-68	121.7	-172.6	-159.1	61.8	0	0	0	111.3	I387 L390 L408 E414 L415 L433 T435 L436	I387-L412 HydrophobicContact CG2-CD1 4.18Å; I387-L412 PolarHBondContact O-N 3.04Å; L390-L412 HydrophobicContact CB-CD1 3.93Å; L408-L412 HydrophobicContact CB-CB 3.98Å; L408-L412 HydrophobicContact CB-CD2 4.45Å; L408-L412 HydrophobicContact CD1-CD1 4.19Å; L408-L412 HydrophobicContact CD1-CD2 4.28Å; L408-L412 WeakPolarHBondContact O-CB 3.38Å; L408-L412 PolarHBondContact O-N 3.49Å; L412-E414 WeakPolarHBondContact CD1-O 3.2Å; L412-L415 HydrophobicContact CD2-CB 4.1Å; L412-L415 HydrophobicContact CD2-CD1 4.4Å; L412-L415 HydrophobicContact CD2-CD2 4.27Å; L412-L415 HydrophobicContact CD2-CG 4.5Å; L412-L433 HydrophobicContact CD2-CD1 4Å; L412-T435 PolarHBondContact N-OG1 3.16Å; L412-T435 CarbonylContact O-C 3.36Å; L412-T435 WeakPolarHBondContact O-CB 3.41Å; L412-T435 PolarHBondContact O-OG1 3.06Å; L412-L436 HydrophobicContact CD2-CD1 4.33Å; L412-L436 HydrophobicContact CG-CD1 4.13Å; L412-L436 WeakPolarHBondContact O-CA 3.44Å; L412-L436 PolarHBondContact O-N 2.61Å; L412-L436 VanDerWaalsContact O-N 3.14Å
413	R	98.1	Very high	94.3	Very high	156 Å²	156	51.9 Å²	51.9	59%	0.589	22%	0.221	S	C	*	.			trans	-111.3	-31.5	178.3	-65.3	-179.2	-179.8	-167.5	-0.1	111.8	S388 T411 K437 S438	S388-R413 PolarHBondContact O-N 3.4Å; T411-R413 PolarHBondContact O-N 2.82Å; R413-K437 PolarHBondContact O-N 3.41Å; R413-S438 PolarHBondContact O-N 3.22Å
414	E	98.6	Very high	94	Very high	64 Å²	64	50.8 Å²	50.8	30%	0.299	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.5	-178.5	-176.8	168.1	138.7	0	0	110.8	S388 I389 L390 H391 L412 S438	S388-E414 PolarHBondContact O-N 3.22Å; S388-E414 VanDerWaalsContact O-N 3.1Å; I389-E414 WeakPolarHBondContact CA-O 3.46Å; I389-E414 HydrophobicContact CB-CB 4.42Å; I389-E414 HydrophobicContact CG1-CB 4.12Å; I389-E414 HydrophobicContact CG2-CB 4.17Å; I389-E414 HydrophobicContact CG2-CG 4.29Å; L390-E414 PolarHBondContact N-O 3.09Å; H391-E414 IonicContact CD2-OE1 2.63Å; H391-E414 IonicContact CE1-OE1 3.68Å; H391-E414 PolarHBondContact CE1-OE1 3.24Å; H391-E414 IonicContact NE2-OE1 3.3Å; H391-E414 PolarHBondContact NE2-OE1 2.67Å; L412-E414 WeakPolarHBondContact CD1-O 3.2Å; E414-S438 WeakPolarHBondContact CA-O 3.41Å
415	L	97.6	Very high	93.6	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	118.1	178.1	178.1	60.1	0	0	0	109.4	L390 L405 L412 L417 L430 L436 S438 L439 D440	L390-L415 HydrophobicContact CB-CD1 4.22Å; L390-L415 HydrophobicContact CD2-CD1 4.21Å; L390-L415 HydrophobicContact CG-CD1 4.27Å; L390-L415 WeakPolarHBondContact O-CA 3.19Å; L405-L415 HydrophobicContact CD1-CD2 3.67Å; L412-L415 HydrophobicContact CD2-CB 4.1Å; L412-L415 HydrophobicContact CD2-CD1 4.4Å; L412-L415 HydrophobicContact CD2-CD2 4.27Å; L412-L415 HydrophobicContact CD2-CG 4.5Å; L415-L417 HydrophobicContact CD1-CD1 4.33Å; L415-L417 HydrophobicContact CD1-CD2 4.07Å; L415-L417 HydrophobicContact CD1-CG 3.94Å; L415-L417 HydrophobicContact CD2-CD1 3.89Å; L415-L417 HydrophobicContact CD2-CG 4.31Å; L415-L417 HydrophobicContact CG-CD1 4.08Å; L415-L417 HydrophobicContact CG-CG 3.93Å; L415-L430 HydrophobicContact CD2-CD2 3.68Å; L415-L436 HydrophobicContact CB-CD1 3.88Å; L415-S438 PolarHBondContact N-O 2.88Å; L415-L439 HydrophobicContact CB-CD1 4.14Å; L415-L439 HydrophobicContact CD2-CD1 4.02Å; L415-L439 HydrophobicContact CG-CD1 4.14Å; L415-L439 WeakPolarHBondContact O-CA 3.46Å; L415-D440 PolarHBondContact O-N 3.46Å
416	N	98	Very high	93.1	Very high	15 Å²	15	53.6 Å²	53.6	8%	0.08	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.4	173.9	-168	-10.3	0	0	0	110.2	L390 H391 M392 E393 S418 D440	L390-N416 PolarHBondContact O-N 2.82Å; H391-N416 HydrophobicContact CB-CB 4.26Å; M392-N416 PolarHBondContact N-O 3Å; E393-N416 HydrophobicContact CG-CB 4.39Å; E393-N416 WeakPolarHBondContact CG-ND2 3.2Å; E393-N416 PolarHBondContact OE1-ND2 2.95Å; N416-S418 VanDerWaalsContact OD1-CB 3.25Å; N416-S418 WeakPolarHBondContact OD1-CB 3.34Å; N416-S418 PolarHBondContact OD1-N 3Å; N416-S418 PolarHBondContact OD1-OG 3.43Å; N416-S418 VanDerWaalsContact OD1-OG 3.07Å; N416-D440 HydrophobicContact CB-CB 4.41Å; N416-D440 WeakPolarHBondContact OD1-CB 3.24Å
417	L	96.9	Very high	92.5	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	22%	0.223	C	C	.	.			trans	-124.6	25.9	176.9	-63.2	174.9	0	0	0	110.5	L376 M392 I397 I400 L415 N420 L422 D440 L441 N444	L376-L417 HydrophobicContact CD1-CD2 4.38Å; M392-L417 HydrophobicContact CB-CD2 4.01Å; M392-L417 HydrophobicContact CG-CD2 4.5Å; I397-L417 HydrophobicContact CD1-CD2 3.8Å; I400-L417 HydrophobicContact CD1-CD1 3.66Å; L415-L417 HydrophobicContact CD1-CD1 4.33Å; L415-L417 HydrophobicContact CD1-CD2 4.07Å; L415-L417 HydrophobicContact CD1-CG 3.94Å; L415-L417 HydrophobicContact CD2-CD1 3.89Å; L415-L417 HydrophobicContact CD2-CG 4.31Å; L415-L417 HydrophobicContact CG-CD1 4.08Å; L415-L417 HydrophobicContact CG-CG 3.93Å; L417-N420 VanDerWaalsContact C-ND2 3.31Å; L417-N420 PolarHBondContact O-ND2 3.06Å; L417-L422 HydrophobicContact CB-CD1 4.5Å; L417-L422 HydrophobicContact CD1-CD1 4.44Å; L417-D440 CarbonylContact C-O 3.6Å; L417-D440 PolarHBondContact N-O 2.98Å; L417-L441 HydrophobicContact CB-CD2 4.05Å; L417-L441 HydrophobicContact CD1-CD2 4.13Å; L417-N444 PolarHBondContact O-ND2 2.88Å
418	S	97.6	Very high	92.3	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.014	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	157.7	178.6	71.5	0	0	0	0	111.7	E393 H394 N416 N420 S442	E393-S418 WeakPolarHBondContact CA-O 3.48Å; E393-S418 VanDerWaalsContact CG-OG 3.29Å; E393-S418 WeakPolarHBondContact CG-OG 3.16Å; E393-S418 PolarHBondContact OE2-OG 3.03Å; E393-S418 VanDerWaalsContact OE2-OG 3.12Å; H394-S418 PolarHBondContact N-O 3.42Å; N416-S418 VanDerWaalsContact OD1-CB 3.25Å; N416-S418 WeakPolarHBondContact OD1-CB 3.34Å; N416-S418 PolarHBondContact OD1-N 3Å; N416-S418 PolarHBondContact OD1-OG 3.43Å; N416-S418 VanDerWaalsContact OD1-OG 3.07Å; S418-N420 PolarHBondContact O-N 3.02Å; S418-N420 VanDerWaalsContact O-N 3.08Å; S418-N420 PolarHBondContact O-ND2 3.11Å; S418-S442 CarbonylContact C-O 3.57Å; S418-S442 WeakPolarHBondContact CA-O 3.49Å; S418-S442 WeakPolarHBondContact CB-OG 3.4Å
419	Y	97.6	Very high	91.9	Very high	93 Å²	93	56 Å²	56	37%	0.365	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	29.1	175.6	-64.1	-85.6	0	0	0	115.5	H394 S442 Y443	H394-Y419 AromaticContact CD2-CG 3.92Å; H394-Y419 WeakPolarHBondContact CE1-CB 3.37Å; H394-Y419 AromaticContact CE1-CD1 3.5Å; H394-Y419 AromaticContact CE1-CG 3.42Å; H394-Y419 VanDerWaalsContact CE1-CG 3.42Å; H394-Y419 WeakPolarHBondContact NE2-CB 3.47Å; H394-Y419 AromaticContact NE2-CD1 3.7Å; H394-Y419 AromaticContact NE2-CD2 3.52Å; H394-Y419 AromaticContact NE2-CG 3.25Å; H394-Y419 VanDerWaalsContact NE2-CG 3.25Å; Y419-S442 PolarHBondContact N-O 3.37Å; Y419-Y443 WeakPolarHBondContact CA-O 3.25Å; Y419-Y443 HydrophobicContact CD1-CD2 4.24Å; Y419-Y443 AromaticContact CD1-CG 3.9Å; Y419-Y443 HydrophobicContact CD1-CG 3.9Å; Y419-Y443 HydrophobicContact CD2-CD2 4.2Å; Y419-Y443 HydrophobicContact CE1-CD1 4.01Å; Y419-Y443 AromaticContact CE1-CD2 3.67Å; Y419-Y443 HydrophobicContact CE1-CD2 3.67Å; Y419-Y443 HydrophobicContact CE1-CE2 4.27Å; Y419-Y443 AromaticContact CE1-CG 3.52Å; Y419-Y443 HydrophobicContact CE1-CG 3.52Å; Y419-Y443 AromaticContact CE2-CD2 3.6Å; Y419-Y443 HydrophobicContact CE2-CD2 3.6Å; Y419-Y443 HydrophobicContact CE2-CE2 4.13Å; Y419-Y443 HydrophobicContact CE2-CG 4.24Å; Y419-Y443 HydrophobicContact CG-CD2 4.48Å; Y419-Y443 HydrophobicContact CG-CG 4.42Å; Y419-Y443 AromaticContact CZ-CD2 3.31Å; Y419-Y443 AromaticContact CZ-CE2 3.67Å; Y419-Y443 AromaticContact CZ-CG 3.71Å; Y419-Y443 VanDerWaalsContact OH-CE2 3.31Å; Y419-Y443 WeakPolarHBondContact OH-CE2 3.23Å
420	N	96.6	Very high	91.8	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.011	22%	0.222	C	C	.	.	S	Bend	trans	-96.5	-168	173.4	-79.5	-74.1	0	0	0	111.4	M392 C395 E396 I397 L417 S418 L422 N444	M392-N420 PolarHBondContact O-ND2 3.04Å; C395-N420 WeakPolarHBondContact CA-OD1 3.13Å; C395-N420 PolarHBondContact N-OD1 2.79Å; C395-N420 VanDerWaalsContact N-OD1 3.09Å; E396-N420 PolarHBondContact N-OD1 2.94Å; E396-N420 VanDerWaalsContact N-OD1 3.13Å; I397-N420 HydrophobicContact CB-CB 4.13Å; I397-N420 WeakPolarHBondContact CB-OD1 3.41Å; I397-N420 WeakPolarHBondContact CG1-OD1 3.11Å; I397-N420 PolarHBondContact N-OD1 3.09Å; L417-N420 VanDerWaalsContact C-ND2 3.31Å; L417-N420 PolarHBondContact O-ND2 3.06Å; S418-N420 PolarHBondContact O-N 3.02Å; S418-N420 VanDerWaalsContact O-N 3.08Å; S418-N420 PolarHBondContact O-ND2 3.11Å; N420-L422 HydrophobicContact CB-CG 4.45Å; N420-N444 WeakPolarHBondContact CA-OD1 3.06Å; N420-N444 WeakPolarHBondContact CB-OD1 3.28Å; N420-N444 PolarHBondContact O-OD1 3.26Å
421	K	94.5	Very high	91.5	Very high	93 Å²	93	50.8 Å²	50.8	40%	0.404	22%	0.216	S	C	.	.			trans	-116.4	27.7	-175.8	-55.2	-61.7	175.9	-169	0	111.6	I397 R398 R423 N444 E445	I397-K421 CarbonylContact O-C 3.47Å; I397-K421 VanDerWaalsContact O-CA 3.3Å; I397-K421 WeakPolarHBondContact O-CA 3.12Å; I397-K421 PolarHBondContact O-N 3.39Å; R398-K421 HydrophobicContact CG-CB 3.88Å; K421-R423 PolarHBondContact O-N 3.06Å; K421-N444 PolarHBondContact N-OD1 2.81Å; K421-E445 WeakPolarHBondContact CD-OE1 3.23Å
422	L	92.2	Very high	91.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	22%	0.215	C	C	.	.			trans	-69.9	120.1	-176.5	-63.7	170.6	0	0	0	110.5	I397 I400 L417 N420 L441 N444 E445 F446	I397-L422 HydrophobicContact CB-CD2 4.47Å; I397-L422 HydrophobicContact CG2-CD2 3.78Å; I397-L422 PolarHBondContact O-N 3.03Å; I397-L422 VanDerWaalsContact O-N 3.16Å; I400-L422 HydrophobicContact CD1-CD1 4.15Å; I400-L422 HydrophobicContact CD1-CD2 4.14Å; I400-L422 HydrophobicContact CG1-CD2 3.9Å; L417-L422 HydrophobicContact CB-CD1 4.5Å; L417-L422 HydrophobicContact CD1-CD1 4.44Å; N420-L422 HydrophobicContact CB-CG 4.45Å; L422-L441 HydrophobicContact CD1-CD2 4.11Å; L422-N444 HydrophobicContact CB-CB 4.15Å; L422-N444 WeakPolarHBondContact CB-OD1 3.25Å; L422-N444 WeakPolarHBondContact CG-OD1 3.48Å; L422-N444 PolarHBondContact N-OD1 2.8Å; L422-E445 CarbonylContact O-C 3.51Å; L422-E445 VanDerWaalsContact O-CA 3.29Å; L422-E445 WeakPolarHBondContact O-CA 3.22Å; L422-E445 PolarHBondContact O-N 2.9Å; L422-F446 HydrophobicContact CB-CE1 3.8Å; L422-F446 HydrophobicContact CB-CE2 4.49Å; L422-F446 HydrophobicContact CB-CZ 3.67Å; L422-F446 HydrophobicContact CD1-CZ 4.09Å; L422-F446 PolarHBondContact O-N 2.84Å
423	R	87	Confident	91.2	Very high	128 Å²	128	50.5 Å²	50.5	48%	0.483	22%	0.215	S	C	.	.	S	Bend	trans	-93.7	-24.8	174.5	-67.8	176.1	177.2	169.8	1.4	113.4	K421 E445	K421-R423 PolarHBondContact O-N 3.06Å; R423-E445 HydrophobicContact CG-CB 3.74Å; R423-E445 IonicContact CZ-OE2 3.42Å; R423-E445 IonicContact NE-OE2 2.79Å; R423-E445 PolarHBondContact NE-OE2 3.01Å; R423-E445 IonicContact NH2-OE2 3.14Å; R423-E445 PolarHBondContact NH2-OE2 3.16Å; R423-E445 VanDerWaalsContact NH2-OE2 3.14Å
424	H	82.4	Confident	90.9	Very high	106 Å²	106	46.5 Å²	46.5	49%	0.491	22%	0.215	S	C	.	.	S	Bend	trans	-143.4	141.1	-177.5	-58.8	-56.8	0	0	0	109.5
425	L	80.9	Confident	90.7	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.115	21%	0.214	C	C	.	.			trans	-94.2	118.3	176.6	-165.4	64.5	0	0	0	109.6	W427 L430 L441 F446 L473 L478	L425-W427 VanDerWaalsContact C-N 3.32Å; L425-W427 PolarHBondContact O-N 2.82Å; L425-L430 HydrophobicContact CD1-CD1 3.67Å; L425-L430 HydrophobicContact CD2-CD1 3.9Å; L425-L430 HydrophobicContact CG-CD1 3.95Å; L425-L441 HydrophobicContact CD1-CD1 3.97Å; L425-L441 HydrophobicContact CD1-CD2 4.11Å; L425-L441 HydrophobicContact CD2-CD1 3.87Å; L425-F446 HydrophobicContact CB-CE1 3.93Å; L425-F446 HydrophobicContact CB-CZ 4.34Å; L425-F446 HydrophobicContact CD1-CE1 4.47Å; L425-F446 HydrophobicContact CD1-CZ 4.14Å; L425-L473 HydrophobicContact CB-CD2 3.97Å; L425-L473 HydrophobicContact CD2-CD2 3.87Å; L425-L478 HydrophobicContact CD2-CD2 3.97Å
426	N	82.9	Confident	90.7	Very high	42 Å²	42	45.4 Å²	45.4	23%	0.225	21%	0.213	C	C	.	.			trans	-80.5	82.2	173.1	-168.8	-7.5	0	0	0	110.1	I400 A402 R428 S429	I400-N426 VanDerWaalsContact O-CB 3.23Å; I400-N426 WeakPolarHBondContact O-CB 3.33Å; I400-N426 PolarHBondContact O-ND2 3.15Å; A402-N426 VanDerWaalsContact CA-ND2 3.29Å; A402-N426 WeakPolarHBondContact CA-ND2 3.29Å; A402-N426 PolarHBondContact N-ND2 3.26Å; N426-R428 PolarHBondContact O-N 3.38Å; N426-R428 PolarHBondContact OD1-N 3.08Å; N426-S429 WeakPolarHBondContact O-CB 3.33Å; N426-S429 PolarHBondContact O-N 3.44Å; N426-S429 PolarHBondContact O-OG 2.98Å
427	W	79.2	Confident	90.7	Very high	65 Å²	65	49.4 Å²	49.4	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-46.1	-27.5	178	63.7	-77.7	0	0	0	115.1	L425 S429 L430 F431 R476	L425-W427 VanDerWaalsContact C-N 3.32Å; L425-W427 PolarHBondContact O-N 2.82Å; W427-S429 PolarHBondContact O-N 3.44Å; W427-L430 PolarHBondContact O-N 2.92Å; W427-F431 HydrophobicContact CE3-CB 4.39Å; W427-F431 WeakPolarHBondContact O-CB 3.39Å; W427-F431 PolarHBondContact O-N 3.36Å; W427-R476 HydrophobicContact CB-CB 4.17Å; W427-R476 VanDerWaalsContact CD1-CD 3.47Å; W427-R476 HydrophobicContact CD2-CB 4.24Å; W427-R476 HydrophobicContact CD2-CG 4.33Å; W427-R476 VanDerWaalsContact CE2-CZ 3.49Å; W427-R476 HydrophobicContact CG-CB 3.95Å; W427-R476 HydrophobicContact CG-CG 4.33Å; W427-R476 VanDerWaalsContact NE1-CD 3.32Å
428	R	85.9	Confident	90.8	Very high	135 Å²	135	50.5 Å²	50.5	51%	0.509	24%	0.238	S	C	.	.	H	α-helix	trans	-63.2	-28	175.5	-76.8	-173.8	151.3	143.3	-7.7	112.7	A402 N426 P432	A402-R428 HydrophobicContact CB-CB 3.77Å; A402-R428 CarbonylContact O-C 3.5Å; A402-R428 VanDerWaalsContact O-O 3.1Å; N426-R428 PolarHBondContact O-N 3.38Å; N426-R428 PolarHBondContact OD1-N 3.08Å; R428-P432 WeakPolarHBondContact O-CD 3.41Å; R428-P432 WeakPolarHBondContact O-CG 3.5Å
429	S	86	Confident	90.7	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-78.6	-24.5	177.5	72.5	0	0	0	0	113.1	S401 A402 N426 W427	S401-S429 VanDerWaalsContact O-CB 3.24Å; S401-S429 WeakPolarHBondContact O-CB 3.34Å; A402-S429 VanDerWaalsContact O-CA 3.3Å; A402-S429 WeakPolarHBondContact O-CA 3.47Å; A402-S429 PolarHBondContact O-N 3.05Å; N426-S429 WeakPolarHBondContact O-CB 3.33Å; N426-S429 PolarHBondContact O-N 3.44Å; N426-S429 PolarHBondContact O-OG 2.98Å; W427-S429 PolarHBondContact O-N 3.44Å
430	L	90.4	Very high	90.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-105.3	-38.4	-175.3	-63	-177.8	0	0	0	113.8	L405 L415 L425 W427 P432 L433 L439 L478 P479	L405-L430 HydrophobicContact CD1-CD2 3.72Å; L415-L430 HydrophobicContact CD2-CD2 3.68Å; L425-L430 HydrophobicContact CD1-CD1 3.67Å; L425-L430 HydrophobicContact CD2-CD1 3.9Å; L425-L430 HydrophobicContact CG-CD1 3.95Å; W427-L430 PolarHBondContact O-N 2.92Å; L430-P432 VanDerWaalsContact C-CD 3.41Å; L430-P432 VanDerWaalsContact C-N 3.32Å; L430-L433 HydrophobicContact CB-CD1 4.48Å; L430-L433 HydrophobicContact CD2-CD1 3.74Å; L430-L433 VanDerWaalsContact O-CB 3.23Å; L430-L433 WeakPolarHBondContact O-CB 3.36Å; L430-L433 VanDerWaalsContact O-CG 3.24Å; L430-L433 WeakPolarHBondContact O-CG 3.42Å; L430-L433 PolarHBondContact O-N 3.39Å; L430-L439 HydrophobicContact CD1-CD2 4.09Å; L430-L478 HydrophobicContact CB-CD2 4.49Å; L430-L478 HydrophobicContact CD1-CD2 3.99Å; L430-P479 WeakPolarHBondContact O-CG 3.14Å
431	F	88.2	Confident	90.7	Very high	99 Å²	99	47.8 Å²	47.8	43%	0.434	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-38	-176.7	-177.2	-97.4	0	0	0	114.2	W427 L433 L477	W427-F431 HydrophobicContact CE3-CB 4.39Å; W427-F431 WeakPolarHBondContact O-CB 3.39Å; W427-F431 PolarHBondContact O-N 3.36Å; F431-L433 PolarHBondContact O-N 3.4Å; F431-L477 HydrophobicContact CD2-CB 4.44Å; F431-L477 WeakPolarHBondContact CD2-O 3.32Å; F431-L477 HydrophobicContact CE2-CB 4.27Å
432	P	90.6	Very high	90.8	Very high	34 Å²	34	43.7 Å²	43.7	22%	0.221	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.5	176.7	-22	35.3	0	0	0	115.1	W406 R409 R428 L430 A434	W406-P432 HydrophobicContact CE3-CB 3.94Å; W406-P432 HydrophobicContact CE3-CG 3.8Å; W406-P432 HydrophobicContact CZ3-CB 3.76Å; W406-P432 HydrophobicContact CZ3-CG 3.56Å; R409-P432 HydrophobicContact CB-CB 4.41Å; R428-P432 WeakPolarHBondContact O-CD 3.41Å; R428-P432 WeakPolarHBondContact O-CG 3.5Å; L430-P432 VanDerWaalsContact C-CD 3.41Å; L430-P432 VanDerWaalsContact C-N 3.32Å; P432-A434 VanDerWaalsContact C-N 3.29Å; P432-A434 PolarHBondContact O-N 2.89Å
433	L	93.9	Very high	91	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.232	C	C	.	.			trans	-76.7	76.3	-175.5	-53.2	176.6	0	0	0	110.9	L405 R409 L412 L430 F431 T435 L436 P479	L405-L433 HydrophobicContact CB-CD1 4.46Å; L405-L433 HydrophobicContact CB-CD2 4.15Å; L405-L433 HydrophobicContact CD1-CD1 4.26Å; L405-L433 WeakPolarHBondContact O-CD2 3.46Å; R409-L433 HydrophobicContact CB-CD2 4.34Å; L412-L433 HydrophobicContact CD2-CD1 4Å; L430-L433 HydrophobicContact CB-CD1 4.48Å; L430-L433 HydrophobicContact CD2-CD1 3.74Å; L430-L433 VanDerWaalsContact O-CB 3.23Å; L430-L433 WeakPolarHBondContact O-CB 3.36Å; L430-L433 VanDerWaalsContact O-CG 3.24Å; L430-L433 WeakPolarHBondContact O-CG 3.42Å; L430-L433 PolarHBondContact O-N 3.39Å; F431-L433 PolarHBondContact O-N 3.4Å; L433-T435 PolarHBondContact O-N 3.06Å; L433-T435 VanDerWaalsContact O-N 3.16Å; L433-L436 HydrophobicContact CB-CB 3.9Å; L433-L436 HydrophobicContact CB-CD2 4.48Å; L433-L436 HydrophobicContact CD1-CD2 4.04Å; L433-L436 WeakPolarHBondContact O-CB 3.4Å; L433-L436 PolarHBondContact O-N 2.74Å; L433-L436 VanDerWaalsContact O-N 3.15Å; L433-P479 HydrophobicContact CB-CG 4.44Å
434	A	91.5	Very high	91.4	Very high	72 Å²	72	43 Å²	43	60%	0.595	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.3	-171.5	0	0	0	0	0	114.3	R409 P432 S481	R409-A434 PolarHBondContact O-N 3.41Å; P432-A434 VanDerWaalsContact C-N 3.29Å; P432-A434 PolarHBondContact O-N 2.89Å; A434-S481 PolarHBondContact O-OG 3.04Å
435	T	95.7	Very high	91.7	Very high	43 Å²	43	41 Å²	41	26%	0.264	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-4.6	179.6	51.9	0	0	0	0	113.9	L410 L412 L433 K437	L410-T435 WeakPolarHBondContact O-CG2 3.34Å; L412-T435 PolarHBondContact N-OG1 3.16Å; L412-T435 CarbonylContact O-C 3.36Å; L412-T435 WeakPolarHBondContact O-CB 3.41Å; L412-T435 PolarHBondContact O-OG1 3.06Å; L433-T435 PolarHBondContact O-N 3.06Å; L433-T435 VanDerWaalsContact O-N 3.16Å; T435-K437 PolarHBondContact O-N 3.01Å
436	L	97.2	Very high	92	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.			trans	-69.3	120	-173.6	-170.9	72.2	0	0	0	110.5	L412 L415 L433 L439 S481 I482	L412-L436 HydrophobicContact CD2-CD1 4.33Å; L412-L436 HydrophobicContact CG-CD1 4.13Å; L412-L436 WeakPolarHBondContact O-CA 3.44Å; L412-L436 PolarHBondContact O-N 2.61Å; L412-L436 VanDerWaalsContact O-N 3.14Å; L415-L436 HydrophobicContact CB-CD1 3.88Å; L433-L436 HydrophobicContact CB-CB 3.9Å; L433-L436 HydrophobicContact CB-CD2 4.48Å; L433-L436 HydrophobicContact CD1-CD2 4.04Å; L433-L436 WeakPolarHBondContact O-CB 3.4Å; L433-L436 PolarHBondContact O-N 2.74Å; L433-L436 VanDerWaalsContact O-N 3.15Å; L436-L439 HydrophobicContact CD2-CB 4.33Å; L436-L439 HydrophobicContact CD2-CD2 4.49Å; L436-S481 CarbonylContact O-C 3.58Å; L436-S481 WeakPolarHBondContact O-CB 3.38Å; L436-S481 PolarHBondContact O-OG 2.88Å; L436-I482 PolarHBondContact O-N 2.9Å
437	K	97.8	Very high	91.9	Very high	98 Å²	98	46.2 Å²	46.2	43%	0.426	22%	0.217	S	C	.	.			trans	-110.2	-35.1	-179.1	-69.5	-176	172	-130.6	0	112.8	R413 T435 E483 V484	R413-K437 PolarHBondContact O-N 3.41Å; T435-K437 PolarHBondContact O-N 3.01Å; K437-E483 WeakPolarHBondContact CE-OE1 3.33Å; K437-E483 IonicContact NZ-OE1 3.05Å; K437-E483 PolarHBondContact NZ-OE1 3.15Å; K437-E483 PolarHBondContact O-N 3.45Å; K437-V484 PolarHBondContact O-N 2.85Å
438	S	98.4	Very high	91.3	Very high	25 Å²	25	44 Å²	44	18%	0.175	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.4	-178	-176.9	0	0	0	0	110.3	R413 E414 L415 V484	R413-S438 PolarHBondContact O-N 3.22Å; E414-S438 WeakPolarHBondContact CA-O 3.41Å; L415-S438 PolarHBondContact N-O 2.88Å; S438-V484 WeakPolarHBondContact CA-O 3.27Å
439	L	97	Very high	89.9	Confident	1 Å²	1	45 Å²	45	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	115.8	178.5	178.1	60.7	0	0	0	110	L415 L430 L436 L441 L478 I482 V484 L485 S486	L415-L439 HydrophobicContact CB-CD1 4.14Å; L415-L439 HydrophobicContact CD2-CD1 4.02Å; L415-L439 HydrophobicContact CG-CD1 4.14Å; L415-L439 WeakPolarHBondContact O-CA 3.46Å; L430-L439 HydrophobicContact CD1-CD2 4.09Å; L436-L439 HydrophobicContact CD2-CB 4.33Å; L436-L439 HydrophobicContact CD2-CD2 4.49Å; L439-L441 HydrophobicContact CD1-CD1 4.32Å; L439-L441 HydrophobicContact CD1-CD2 4.41Å; L439-L441 HydrophobicContact CD1-CG 3.98Å; L439-L441 HydrophobicContact CD2-CD1 3.78Å; L439-L441 HydrophobicContact CD2-CG 4.3Å; L439-L441 HydrophobicContact CG-CD1 4Å; L439-L441 HydrophobicContact CG-CG 3.96Å; L439-L478 HydrophobicContact CD2-CD1 4.08Å; L439-L478 HydrophobicContact CD2-CD2 3.84Å; L439-I482 HydrophobicContact CB-CD1 4.25Å; L439-I482 HydrophobicContact CD2-CD1 4.03Å; L439-V484 PolarHBondContact N-O 2.82Å; L439-L485 HydrophobicContact CB-CD1 4.28Å; L439-L485 HydrophobicContact CD2-CD1 4.21Å; L439-L485 HydrophobicContact CG-CD1 4.28Å; L439-L485 WeakPolarHBondContact O-CA 3.21Å; L439-S486 PolarHBondContact O-N 3.48Å
440	D	97.8	Very high	87.7	Confident	39 Å²	39	54.4 Å²	54.4	21%	0.209	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.4	171.6	-162.1	-28.8	0	0	0	110.6	L415 N416 L417 S442 S486	L415-D440 PolarHBondContact O-N 3.46Å; N416-D440 HydrophobicContact CB-CB 4.41Å; N416-D440 WeakPolarHBondContact OD1-CB 3.24Å; L417-D440 CarbonylContact C-O 3.6Å; L417-D440 PolarHBondContact N-O 2.98Å; D440-S442 WeakPolarHBondContact OD1-CB 3.45Å; D440-S442 PolarHBondContact OD1-N 3.06Å; D440-S442 PolarHBondContact OD1-OG 3.2Å; D440-S486 WeakPolarHBondContact OD1-CB 3.14Å; D440-S486 PolarHBondContact OD1-OG 2.87Å
441	L	95.7	Very high	85.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.272	C	S	.	.			trans	-125.4	18	178.9	-75.5	173.8	0	0	0	110.8	L417 L422 L425 L439 N444 F446 S486 L487 N490	L417-L441 HydrophobicContact CB-CD2 4.05Å; L417-L441 HydrophobicContact CD1-CD2 4.13Å; L422-L441 HydrophobicContact CD1-CD2 4.11Å; L425-L441 HydrophobicContact CD1-CD1 3.97Å; L425-L441 HydrophobicContact CD1-CD2 4.11Å; L425-L441 HydrophobicContact CD2-CD1 3.87Å; L439-L441 HydrophobicContact CD1-CD1 4.32Å; L439-L441 HydrophobicContact CD1-CD2 4.41Å; L439-L441 HydrophobicContact CD1-CG 3.98Å; L439-L441 HydrophobicContact CD2-CD1 3.78Å; L439-L441 HydrophobicContact CD2-CG 4.3Å; L439-L441 HydrophobicContact CG-CD1 4Å; L439-L441 HydrophobicContact CG-CG 3.96Å; L441-N444 PolarHBondContact O-ND2 3.2Å; L441-N444 VanDerWaalsContact O-ND2 3.14Å; L441-F446 HydrophobicContact CB-CE2 4.09Å; L441-F446 HydrophobicContact CD2-CE2 4.36Å; L441-F446 HydrophobicContact CD2-CZ 4.25Å; L441-S486 PolarHBondContact N-O 3.16Å; L441-L487 HydrophobicContact CB-CD2 3.85Å; L441-L487 HydrophobicContact CD1-CD2 4.15Å; L441-N490 PolarHBondContact O-ND2 3.06Å
442	S	96.8	Very high	82.7	Confident	6 Å²	6	57.5 Å²	57.5	4%	0.042	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	155.2	-178.2	59.4	0	0	0	0	112.6	S418 Y419 D440 N444 S486 A488	S418-S442 CarbonylContact C-O 3.57Å; S418-S442 WeakPolarHBondContact CA-O 3.49Å; S418-S442 WeakPolarHBondContact CB-OG 3.4Å; Y419-S442 PolarHBondContact N-O 3.37Å; D440-S442 WeakPolarHBondContact OD1-CB 3.45Å; D440-S442 PolarHBondContact OD1-N 3.06Å; D440-S442 PolarHBondContact OD1-OG 3.2Å; S442-N444 VanDerWaalsContact C-N 3.29Å; S442-N444 PolarHBondContact O-N 2.78Å; S442-N444 PolarHBondContact O-ND2 2.55Å; S442-S486 WeakPolarHBondContact CB-OG 3.16Å; S442-S486 PolarHBondContact N-O 3.04Å; S442-A488 CarbonylContact C-O 3.42Å; S442-A488 WeakPolarHBondContact CA-O 3.39Å; S442-A488 WeakPolarHBondContact CB-O 3.36Å
443	Y	96.7	Very high	80.1	Confident	104 Å²	104	61.5 Å²	61.5	41%	0.408	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	41.2	175.7	-56.3	-80.1	0	0	0	114.2	Y419 A488	Y419-Y443 WeakPolarHBondContact CA-O 3.25Å; Y419-Y443 HydrophobicContact CD1-CD2 4.24Å; Y419-Y443 AromaticContact CD1-CG 3.9Å; Y419-Y443 HydrophobicContact CD1-CG 3.9Å; Y419-Y443 HydrophobicContact CD2-CD2 4.2Å; Y419-Y443 HydrophobicContact CE1-CD1 4.01Å; Y419-Y443 AromaticContact CE1-CD2 3.67Å; Y419-Y443 HydrophobicContact CE1-CD2 3.67Å; Y419-Y443 HydrophobicContact CE1-CE2 4.27Å; Y419-Y443 AromaticContact CE1-CG 3.52Å; Y419-Y443 HydrophobicContact CE1-CG 3.52Å; Y419-Y443 AromaticContact CE2-CD2 3.6Å; Y419-Y443 HydrophobicContact CE2-CD2 3.6Å; Y419-Y443 HydrophobicContact CE2-CE2 4.13Å; Y419-Y443 HydrophobicContact CE2-CG 4.24Å; Y419-Y443 HydrophobicContact CG-CD2 4.48Å; Y419-Y443 HydrophobicContact CG-CG 4.42Å; Y419-Y443 AromaticContact CZ-CD2 3.31Å; Y419-Y443 AromaticContact CZ-CE2 3.67Å; Y419-Y443 AromaticContact CZ-CG 3.71Å; Y419-Y443 VanDerWaalsContact OH-CE2 3.31Å; Y419-Y443 WeakPolarHBondContact OH-CE2 3.23Å; Y443-A488 PolarHBondContact N-O 3.19Å
444	N	94.2	Very high	77.2	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.053	34%	0.344	C	S	.	.	S	Bend	trans	-101.7	-169.8	169.4	-84.8	-83.6	0	0	0	110.8	L417 N420 K421 L422 L441 S442 F446 N490	L417-N444 PolarHBondContact O-ND2 2.88Å; N420-N444 WeakPolarHBondContact CA-OD1 3.06Å; N420-N444 WeakPolarHBondContact CB-OD1 3.28Å; N420-N444 PolarHBondContact O-OD1 3.26Å; K421-N444 PolarHBondContact N-OD1 2.81Å; L422-N444 HydrophobicContact CB-CB 4.15Å; L422-N444 WeakPolarHBondContact CB-OD1 3.25Å; L422-N444 WeakPolarHBondContact CG-OD1 3.48Å; L422-N444 PolarHBondContact N-OD1 2.8Å; L441-N444 PolarHBondContact O-ND2 3.2Å; L441-N444 VanDerWaalsContact O-ND2 3.14Å; S442-N444 VanDerWaalsContact C-N 3.29Å; S442-N444 PolarHBondContact O-N 2.78Å; S442-N444 PolarHBondContact O-ND2 2.55Å; N444-F446 HydrophobicContact CB-CD2 3.95Å; N444-F446 HydrophobicContact CB-CE2 3.68Å; N444-F446 HydrophobicContact CB-CZ 4.3Å; N444-N490 VanDerWaalsContact CA-OD1 3.23Å; N444-N490 WeakPolarHBondContact CA-OD1 3.05Å; N444-N490 WeakPolarHBondContact CB-OD1 3.24Å; N444-N490 PolarHBondContact N-OD1 3.15Å; N444-N490 PolarHBondContact O-OD1 2.92Å
445	E	90.1	Very high	74.6	Confident	63 Å²	63	72.9 Å²	72.9	29%	0.294	36%	0.36	S	S	.	.			trans	-108.4	31	-176.3	-64.4	-174.4	-168.9	0	0	113.1	K421 L422 R423 R447	K421-E445 WeakPolarHBondContact CD-OE1 3.23Å; L422-E445 CarbonylContact O-C 3.51Å; L422-E445 VanDerWaalsContact O-CA 3.29Å; L422-E445 WeakPolarHBondContact O-CA 3.22Å; L422-E445 PolarHBondContact O-N 2.9Å; R423-E445 HydrophobicContact CG-CB 3.74Å; R423-E445 IonicContact CZ-OE2 3.42Å; R423-E445 IonicContact NE-OE2 2.79Å; R423-E445 PolarHBondContact NE-OE2 3.01Å; R423-E445 IonicContact NH2-OE2 3.14Å; R423-E445 PolarHBondContact NH2-OE2 3.16Å; R423-E445 VanDerWaalsContact NH2-OE2 3.14Å; E445-R447 PolarHBondContact O-N 2.03Å; E445-R447 VanDerWaalsContact O-N 3.15Å
446	F	86.2	Confident	71.8	Confident	1 Å²	1	82 Å²	82	0%	0.004	39%	0.39	C	S	.	.			trans	-65.2	-18.1	-173	-68	-58.3	0	0	0	115.4	L422 L425 L441 N444 P472 N490	L422-F446 HydrophobicContact CB-CE1 3.8Å; L422-F446 HydrophobicContact CB-CE2 4.49Å; L422-F446 HydrophobicContact CB-CZ 3.67Å; L422-F446 HydrophobicContact CD1-CZ 4.09Å; L422-F446 PolarHBondContact O-N 2.84Å; L425-F446 HydrophobicContact CB-CE1 3.93Å; L425-F446 HydrophobicContact CB-CZ 4.34Å; L425-F446 HydrophobicContact CD1-CE1 4.47Å; L425-F446 HydrophobicContact CD1-CZ 4.14Å; L441-F446 HydrophobicContact CB-CE2 4.09Å; L441-F446 HydrophobicContact CD2-CE2 4.36Å; L441-F446 HydrophobicContact CD2-CZ 4.25Å; N444-F446 HydrophobicContact CB-CD2 3.95Å; N444-F446 HydrophobicContact CB-CE2 3.68Å; N444-F446 HydrophobicContact CB-CZ 4.3Å; F446-P472 WeakPolarHBondContact O-CG 3.49Å; F446-N490 HydrophobicContact CB-CB 4.32Å; F446-N490 HydrophobicContact CD2-CB 4.36Å; F446-N490 WeakPolarHBondContact CD2-OD1 3.22Å
447	R	80.4	Confident	68.8	Low	174 Å²	174	89.3 Å²	89.3	66%	0.657	43%	0.429	S	S	*	.			trans	-2	128.1	179	-68.3	-172.8	-177	173.8	1.8	116	E445 R449 N490	E445-R447 PolarHBondContact O-N 2.03Å; E445-R447 VanDerWaalsContact O-N 3.15Å; R447-R449 PolarHBondContact O-N 3.49Å; R447-N490 WeakPolarHBondContact CA-O 3.45Å; R447-N490 PolarHBondContact N-O 3.43Å
448	D	67.5	Low	65.9	Low	18 Å²	18	95.9 Å²	95.9	10%	0.096	45%	0.451	C	S	.	.			trans	-62.1	104.6	170.2	-69.5	-33.7	0	0	0	110.4	W450 F471 Q493	D448-W450 PolarHBondContact O-N 3.35Å; D448-F471 WeakPolarHBondContact OD1-CD2 3.25Å; D448-F471 WeakPolarHBondContact OD1-CE2 3.39Å; D448-F471 WeakPolarHBondContact OD1-CG 3.06Å; D448-F471 WeakPolarHBondContact OD2-CE2 3.5Å; D448-Q493 HydrophobicContact CB-CB 4.43Å; D448-Q493 HydrophobicContact CB-CG 4.03Å; D448-Q493 WeakPolarHBondContact OD2-CB 3.09Å; D448-Q493 PolarHBondContact OD2-N 3.28Å
449	R	56.2	Low	63.2	Low	157 Å²	157	100.8 Å²	100.8	59%	0.592	48%	0.479	S	S	*	.			trans	-71	82	172.6	-70	-172.1	179.4	-167.7	-1.2	109.2	R447 A469	R447-R449 PolarHBondContact O-N 3.49Å; R449-A469 HydrophobicContact CB-CB 4.41Å; R449-A469 WeakPolarHBondContact O-CB 3.32Å
450	W	39.6	Very low	60.5	Low	198 Å²	198	112.1 Å²	112.1	75%	0.75	52%	0.522	S	S	*	.			trans	-93.8	92.3	163.6	-151.3	-60.4	0	0	0	108.8	D448	D448-W450 PolarHBondContact O-N 3.35Å
451	G	36.3	Very low	57.9	Low	48 Å²	48	119.6 Å²	119.6	50%	0.495	56%	0.555	S	S	.	*			trans	-115.1	126.9	163.4	0	0	0	0	0	107.8	T453	G451-T453 PolarHBondContact O-N 3.45Å
452	P	36.8	Very low	55	Low	116 Å²	116	131.1 Å²	131.1	75%	0.753	60%	0.599	S	S	*	*			trans	-58.2	113.6	160.8	26.2	-28.9	0	0	0	105.1	G454	P452-G454 PolarHBondContact O-N 2.92Å
453	T	35.6	Very low	52.2	Low	119 Å²	119	142.5 Å²	142.5	73%	0.73	64%	0.641	S	S	*	*			trans	-45.1	119.7	169.8	45.5	0	0	0	0	106.7	G451	G451-T453 PolarHBondContact O-N 3.45Å
454	G	34.2	Very low	49.3	Very low	66 Å²	66	148.6 Å²	148.6	68%	0.68	66%	0.663	S	S	*	*			trans	-48.4	153.5	-166.2	0	0	0	0	0	112.8	P452 R456	P452-G454 PolarHBondContact O-N 2.92Å; G454-R456 PolarHBondContact O-N 3.41Å
455	R	36.9	Very low	46.5	Very low	244 Å²	244	152.7 Å²	152.7	92%	0.921	70%	0.698	S	S	*	*			trans	2.6	111	158.3	-80.7	177.7	166	-178.8	-4.6	112.3	N457	R455-N457 PolarHBondContact O-N 3.46Å
456	R	36	Very low	43.9	Very low	236 Å²	236	159.2 Å²	159.2	89%	0.891	72%	0.72	S	S	*	*			trans	-43.8	89.6	163.3	-77.4	174.8	166.7	170.7	-4	109.6	G454 R458	G454-R456 PolarHBondContact O-N 3.41Å; R456-R458 VanDerWaalsContact C-N 3.35Å; R456-R458 PolarHBondContact O-N 2.97Å
457	N	34.6	Very low	41.5	Very low	153 Å²	153	162 Å²	162	82%	0.818	75%	0.75	S	S	*	*			trans	-76.2	103.2	149.2	-106.6	2.2	0	0	0	104.7	R455 T459	R455-N457 PolarHBondContact O-N 3.46Å; N457-T459 VanDerWaalsContact C-N 3.29Å; N457-T459 PolarHBondContact O-N 3.09Å
458	R	35.9	Very low	39.7	Very low	236 Å²	236	161.2 Å²	161.2	89%	0.891	75%	0.751	S	S	*	*			trans	-60.8	89.4	173.6	-76.5	172.2	148.9	159.4	-7	108.5	R456	R456-R458 VanDerWaalsContact C-N 3.35Å; R456-R458 PolarHBondContact O-N 2.97Å
459	T	43	Very low	38.6	Very low	127 Å²	127	163.4 Å²	163.4	78%	0.779	77%	0.772	S	S	*	*			trans	-120.6	108.9	156.8	49.9	0	0	0	0	108.5	N457 H461	N457-T459 VanDerWaalsContact C-N 3.29Å; N457-T459 PolarHBondContact O-N 3.09Å; T459-H461 PolarHBondContact O-N 3.29Å
460	R	40.7	Very low	38	Very low	240 Å²	240	158.4 Å²	158.4	91%	0.906	76%	0.761	S	S	*	*			trans	-66	88	178.7	-75.4	173.2	159.9	171.8	-5.3	109.4
461	H	41.6	Very low	38.4	Very low	195 Å²	195	150.8 Å²	150.8	90%	0.903	73%	0.733	S	S	*	*			trans	-145	125.5	152.4	-86.2	-67.8	0	0	0	111.9	T459	T459-H461 PolarHBondContact O-N 3.29Å
462	R	34.9	Very low	39.3	Very low	243 Å²	243	149.8 Å²	149.8	92%	0.917	72%	0.718	S	S	*	*			trans	-58.6	124.2	-177.1	-68.6	165.6	160.3	174.3	-6.9	111.4
463	R	38.8	Very low	40.4	Very low	244 Å²	244	144.5 Å²	144.5	92%	0.921	68%	0.683	S	S	*	*				-173.2	131.2	108.4	-97.9	176.2	-178.3	-158.2	1.1	110.3	A465	R463-A465 PolarHBondContact O-N 3.21Å; R463-A465 VanDerWaalsContact O-N 3.17Å
464	R	34.9	Very low	41.3	Very low	233 Å²	233	141.1 Å²	141.1	88%	0.879	66%	0.661	S	S	*	*			trans	-58.7	104.9	-173.9	-70.3	163.7	164.5	170.5	-6.1	111.8
465	A	37.3	Very low	42.5	Very low	95 Å²	95	145.7 Å²	145.7	79%	0.785	66%	0.658	S	S	*	*			trans	-118.6	93.8	145.3	0	0	0	0	0	106.5	R463 G467	R463-A465 PolarHBondContact O-N 3.21Å; R463-A465 VanDerWaalsContact O-N 3.17Å; A465-G467 PolarHBondContact O-N 2.87Å
466	R	34.6	Very low	43.9	Very low	200 Å²	200	140.6 Å²	140.6	76%	0.755	64%	0.638	S	S	*	*			trans	-56	111.7	174	-74.2	175.8	175.1	163.2	-4	107.8	F468	R466-F468 HydrophobicContact CB-CD2 4.24Å; R466-F468 HydrophobicContact CB-CE2 4.27Å; R466-F468 PolarHBondContact O-N 3.06Å
467	G	36.7	Very low	45.7	Very low	61 Å²	61	133.5 Å²	133.5	63%	0.629	62%	0.618	S	S	*	*			trans	-68.7	66.9	176.5	0	0	0	0	0	112.8	A465 A469	A465-G467 PolarHBondContact O-N 2.87Å; G467-A469 PolarHBondContact O-N 2.96Å
468	F	41.9	Very low	48.2	Very low	156 Å²	156	126.7 Å²	126.7	68%	0.684	58%	0.581	S	S	*	*			trans	-80	99.3	152.7	-67.7	-73.6	0	0	0	105.8	R466 S470	R466-F468 HydrophobicContact CB-CD2 4.24Å; R466-F468 HydrophobicContact CB-CE2 4.27Å; R466-F468 PolarHBondContact O-N 3.06Å; F468-S470 PolarHBondContact O-N 3.26Å
469	A	44.4	Very low	50.8	Low	64 Å²	64	115.5 Å²	115.5	53%	0.529	54%	0.539	S	S	.	.			trans	-52.5	101.9	160	0	0	0	0	0	106.6	R449 G467 F471	R449-A469 HydrophobicContact CB-CB 4.41Å; R449-A469 WeakPolarHBondContact O-CB 3.32Å; G467-A469 PolarHBondContact O-N 2.96Å; A469-F471 PolarHBondContact O-N 3.03Å
470	S	43.3	Very low	53.1	Low	52 Å²	52	113.5 Å²	113.5	36%	0.364	53%	0.528	S	S	.	.			trans	-77.7	122	-168.5	61.6	0	0	0	0	108	F468 P472	F468-S470 PolarHBondContact O-N 3.26Å; S470-P472 VanDerWaalsContact O-CD 3.28Å; S470-P472 WeakPolarHBondContact O-CD 3.29Å
471	F	48.8	Very low	55.6	Low	39 Å²	39	103.5 Å²	103.5	17%	0.171	50%	0.495	C	S	.	.			trans	-44.2	109.9	163.8	-165.3	-70	0	0	0	108.3	D448 A469 L473 N474 L492 R494 P496	D448-F471 WeakPolarHBondContact OD1-CD2 3.25Å; D448-F471 WeakPolarHBondContact OD1-CE2 3.39Å; D448-F471 WeakPolarHBondContact OD1-CG 3.06Å; D448-F471 WeakPolarHBondContact OD2-CE2 3.5Å; A469-F471 PolarHBondContact O-N 3.03Å; F471-L473 HydrophobicContact CD1-CB 4.14Å; F471-L473 HydrophobicContact CE1-CB 3.93Å; F471-L473 PolarHBondContact O-N 3.41Å; F471-N474 HydrophobicContact CB-CB 3.84Å; F471-N474 HydrophobicContact CD1-CB 3.48Å; F471-N474 VanDerWaalsContact CD1-CB 3.48Å; F471-N474 HydrophobicContact CE1-CB 4.24Å; F471-N474 HydrophobicContact CG-CB 3.78Å; F471-N474 PolarHBondContact O-N 3.08Å; F471-N474 VanDerWaalsContact O-N 3.16Å; F471-L492 HydrophobicContact CZ-CD2 4.38Å; F471-R494 HydrophobicContact CE2-CB 4.34Å; F471-R494 WeakPolarHBondContact CZ-O 3.1Å; F471-P496 HydrophobicContact CE1-CB 3.7Å; F471-P496 HydrophobicContact CZ-CB 4.13Å
472	P	54.7	Low	58.2	Low	27 Å²	27	94.2 Å²	94.2	18%	0.175	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.7	-164.6	13.8	-23.2	0	0	0	113.3	F446 S470	F446-P472 WeakPolarHBondContact O-CG 3.49Å; S470-P472 VanDerWaalsContact O-CD 3.28Å; S470-P472 WeakPolarHBondContact O-CD 3.29Å
473	L	59.1	Low	61.2	Low	5 Å²	5	84.4 Å²	84.4	3%	0.026	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-14	-179	-53.5	170.1	0	0	0	114.8	L425 F471 R475 L487 L492 P496 L499	L425-L473 HydrophobicContact CB-CD2 3.97Å; L425-L473 HydrophobicContact CD2-CD2 3.87Å; F471-L473 HydrophobicContact CD1-CB 4.14Å; F471-L473 HydrophobicContact CE1-CB 3.93Å; F471-L473 PolarHBondContact O-N 3.41Å; L473-R475 PolarHBondContact O-N 3.27Å; L473-L487 HydrophobicContact CD1-CD1 4.17Å; L473-L487 HydrophobicContact CD1-CD2 4.15Å; L473-L492 HydrophobicContact CD1-CD1 4.49Å; L473-L492 HydrophobicContact CD1-CD2 4.01Å; L473-P496 HydrophobicContact CB-CB 4.22Å; L473-L499 HydrophobicContact CB-CD1 3.96Å; L473-L499 HydrophobicContact CD2-CD1 4.4Å
474	N	54.5	Low	64	Low	48 Å²	48	75.4 Å²	75.4	26%	0.257	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.7	-169.5	-149.7	8.1	0	0	0	113.1	F471 R498	F471-N474 HydrophobicContact CB-CB 3.84Å; F471-N474 HydrophobicContact CD1-CB 3.48Å; F471-N474 VanDerWaalsContact CD1-CB 3.48Å; F471-N474 HydrophobicContact CE1-CB 4.24Å; F471-N474 HydrophobicContact CG-CB 3.78Å; F471-N474 PolarHBondContact O-N 3.08Å; F471-N474 VanDerWaalsContact O-N 3.16Å; N474-R498 WeakPolarHBondContact O-CD 3.3Å; N474-R498 WeakPolarHBondContact OD1-CB 3.03Å; N474-R498 WeakPolarHBondContact OD1-CG 3.48Å; N474-R498 PolarHBondContact OD1-N 3.48Å; N474-R498 VanDerWaalsContact OD1-N 3.11Å
475	R	60.1	Low	66.9	Low	162 Å²	162	64.3 Å²	64.3	61%	0.611	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-25.8	-178.5	-79.7	-173.2	163.1	175.8	-3.4	114.1	L473	L473-R475 PolarHBondContact O-N 3.27Å
476	R	66.7	Low	69.8	Low	137 Å²	137	60.2 Å²	60.2	52%	0.517	31%	0.313	S	S	.	.	S	Bend	trans	-151.7	153.6	-163.4	-65.2	-172.6	170.8	145.3	-9.5	113.2	W427	W427-R476 HydrophobicContact CB-CB 4.17Å; W427-R476 VanDerWaalsContact CD1-CD 3.47Å; W427-R476 HydrophobicContact CD2-CB 4.24Å; W427-R476 HydrophobicContact CD2-CG 4.33Å; W427-R476 VanDerWaalsContact CE2-CZ 3.49Å; W427-R476 HydrophobicContact CG-CB 3.95Å; W427-R476 HydrophobicContact CG-CG 4.33Å; W427-R476 VanDerWaalsContact NE1-CD 3.32Å
477	L	73.9	Confident	72.7	Confident	87 Å²	87	50.8 Å²	50.8	46%	0.455	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-82.1	139.9	-172.3	-63.4	167.4	0	0	0	111.7	F431	F431-L477 HydrophobicContact CD2-CB 4.44Å; F431-L477 WeakPolarHBondContact CD2-O 3.32Å; F431-L477 HydrophobicContact CE2-CB 4.27Å
478	L	86.9	Confident	75.6	Confident	9 Å²	9	47.9 Å²	47.9	5%	0.047	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-74.8	166.7	156.9	-72.9	174.7	0	0	0	109.7	L425 L430 L439 I482 L485 L499 L503	L425-L478 HydrophobicContact CD2-CD2 3.97Å; L430-L478 HydrophobicContact CB-CD2 4.49Å; L430-L478 HydrophobicContact CD1-CD2 3.99Å; L439-L478 HydrophobicContact CD2-CD1 4.08Å; L439-L478 HydrophobicContact CD2-CD2 3.84Å; L478-I482 HydrophobicContact CB-CD1 3.68Å; L478-I482 HydrophobicContact CD1-CD1 3.77Å; L478-I482 HydrophobicContact CD2-CD1 4.45Å; L478-I482 HydrophobicContact CG-CD1 4.18Å; L478-L485 HydrophobicContact CD1-CD1 4.1Å; L478-L485 HydrophobicContact CD1-CD2 4.25Å; L478-L499 HydrophobicContact CD1-CD1 3.82Å; L478-L499 HydrophobicContact CD1-CD2 3.98Å; L478-L499 HydrophobicContact CD1-CG 3.97Å; L478-L499 HydrophobicContact CG-CD1 4.14Å; L478-L499 HydrophobicContact CG-CG 4.31Å; L478-L503 HydrophobicContact CB-CD2 4.12Å; L478-L503 HydrophobicContact CD1-CD1 4.33Å
479	P	89.7	Confident	78.2	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.013	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-51.5	131.9	170.2	-26.7	34.8	0	0	0	111.4	L430 L433 S481 I482 L503	L430-P479 WeakPolarHBondContact O-CG 3.14Å; L433-P479 HydrophobicContact CB-CG 4.44Å; P479-S481 WeakPolarHBondContact CB-OG 3.29Å; P479-S481 PolarHBondContact O-N 3.3Å; P479-S481 VanDerWaalsContact O-N 3.09Å; P479-I482 WeakPolarHBondContact O-CG1 3.21Å; P479-I482 PolarHBondContact O-N 3.16Å; P479-L503 VanDerWaalsContact O-CD2 3.32Å; P479-L503 WeakPolarHBondContact O-CD2 3.48Å
480	P	91.1	Very high	80.5	Confident	85 Å²	85	38.5 Å²	38.5	55%	0.552	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.2	179.8	28.5	-35.4	0	0	0	113.2	I482 Q505	P480-I482 VanDerWaalsContact C-N 3.29Å; P480-I482 PolarHBondContact O-N 3.13Å; P480-Q505 WeakPolarHBondContact O-CG 3.38Å
481	S	93.8	Very high	82.8	Confident	29 Å²	29	36.5 Å²	36.5	20%	0.203	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-12.2	177.6	53.6	0	0	0	0	114.5	A434 L436 P479 E483	A434-S481 PolarHBondContact O-OG 3.04Å; L436-S481 CarbonylContact O-C 3.58Å; L436-S481 WeakPolarHBondContact O-CB 3.38Å; L436-S481 PolarHBondContact O-OG 2.88Å; P479-S481 WeakPolarHBondContact CB-OG 3.29Å; P479-S481 PolarHBondContact O-N 3.3Å; P479-S481 VanDerWaalsContact O-N 3.09Å; S481-E483 PolarHBondContact O-N 3.2Å
482	I	95.4	Very high	84.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.			trans	-64.1	127.5	-176	-65.6	178.2	0	0	0	111.1	L436 L439 L478 P479 P480 V484 L485 L503 Q505 L506	L436-I482 PolarHBondContact O-N 2.9Å; L439-I482 HydrophobicContact CB-CD1 4.25Å; L439-I482 HydrophobicContact CD2-CD1 4.03Å; L478-I482 HydrophobicContact CB-CD1 3.68Å; L478-I482 HydrophobicContact CD1-CD1 3.77Å; L478-I482 HydrophobicContact CD2-CD1 4.45Å; L478-I482 HydrophobicContact CG-CD1 4.18Å; P479-I482 WeakPolarHBondContact O-CG1 3.21Å; P479-I482 PolarHBondContact O-N 3.16Å; P480-I482 VanDerWaalsContact C-N 3.29Å; P480-I482 PolarHBondContact O-N 3.13Å; I482-V484 WeakPolarHBondContact CG2-O 2.92Å; I482-L485 HydrophobicContact CG2-CB 4.15Å; I482-L503 HydrophobicContact CB-CD2 4.01Å; I482-L503 HydrophobicContact CD1-CD2 4.42Å; I482-L503 HydrophobicContact CG2-CD1 4.41Å; I482-Q505 CarbonylContact O-C 3.51Å; I482-L506 HydrophobicContact CG2-CD1 4.07Å; I482-L506 PolarHBondContact O-N 3.01Å
483	E	97.7	Very high	86.6	Confident	37 Å²	37	35.4 Å²	35.4	17%	0.173	18%	0.181	C	C	.	.	S	Bend	trans	-107.3	-29.7	175.8	-59.3	-177	-149	0	0	111.6	K437 S481 Q505 K507 H508	K437-E483 WeakPolarHBondContact CE-OE1 3.33Å; K437-E483 IonicContact NZ-OE1 3.05Å; K437-E483 PolarHBondContact NZ-OE1 3.15Å; K437-E483 PolarHBondContact O-N 3.45Å; S481-E483 PolarHBondContact O-N 3.2Å; E483-Q505 HydrophobicContact CG-CB 4.33Å; E483-K507 HydrophobicContact CB-CD 4.38Å; E483-K507 PolarHBondContact O-N 3.41Å; E483-K507 VanDerWaalsContact OE2-CE 3.32Å; E483-K507 WeakPolarHBondContact OE2-CE 3.38Å; E483-K507 IonicContact OE2-NZ 3Å; E483-K507 PolarHBondContact OE2-NZ 3Å; E483-H508 PolarHBondContact O-N 3.32Å; E483-H508 VanDerWaalsContact O-N 3.09Å
484	V	98.4	Very high	88.1	Confident	55 Å²	55	41.9 Å²	41.9	33%	0.333	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123	-179.6	179.9	0	0	0	0	109.4	K437 S438 L439 I482 H508	K437-V484 PolarHBondContact O-N 2.85Å; S438-V484 WeakPolarHBondContact CA-O 3.27Å; L439-V484 PolarHBondContact N-O 2.82Å; I482-V484 WeakPolarHBondContact CG2-O 2.92Å; V484-H508 HydrophobicContact CG1-CB 4.22Å; V484-H508 HydrophobicContact CG2-CB 4.21Å
485	L	96.6	Very high	89.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.3	177.1	179.2	63.7	0	0	0	111	L439 L478 I482 L487 L499 L503 L506 H508 L509 N510	L439-L485 HydrophobicContact CB-CD1 4.28Å; L439-L485 HydrophobicContact CD2-CD1 4.21Å; L439-L485 HydrophobicContact CG-CD1 4.28Å; L439-L485 WeakPolarHBondContact O-CA 3.21Å; L478-L485 HydrophobicContact CD1-CD1 4.1Å; L478-L485 HydrophobicContact CD1-CD2 4.25Å; I482-L485 HydrophobicContact CG2-CB 4.15Å; L485-L487 HydrophobicContact CD1-CG 4.2Å; L485-L487 HydrophobicContact CD2-CD1 3.97Å; L485-L487 HydrophobicContact CD2-CG 4.34Å; L485-L487 HydrophobicContact CG-CD1 4.34Å; L485-L487 HydrophobicContact CG-CG 4.16Å; L485-L499 HydrophobicContact CD2-CD2 3.54Å; L485-L503 HydrophobicContact CD2-CD1 3.74Å; L485-L506 HydrophobicContact CB-CD1 3.77Å; L485-H508 PolarHBondContact N-O 3.02Å; L485-L509 HydrophobicContact CB-CD1 4.24Å; L485-L509 HydrophobicContact CD2-CD1 4.1Å; L485-L509 HydrophobicContact CG-CD1 4.26Å; L485-L509 WeakPolarHBondContact O-CA 3.45Å; L485-N510 PolarHBondContact O-N 3.08Å
486	S	97.6	Very high	91	Very high	9 Å²	9	32.1 Å²	32.1	6%	0.063	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.2	170.7	-175.6	0	0	0	0	110.8	L439 D440 L441 S442	L439-S486 PolarHBondContact O-N 3.48Å; D440-S486 WeakPolarHBondContact OD1-CB 3.14Å; D440-S486 PolarHBondContact OD1-OG 2.87Å; L441-S486 PolarHBondContact N-O 3.16Å; S442-S486 WeakPolarHBondContact CB-OG 3.16Å; S442-S486 PolarHBondContact N-O 3.04Å
487	L	95.3	Very high	91.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.164	C	C	.	.			trans	-127.9	20.7	175.1	-70.3	172.4	0	0	0	110.8	L441 L473 L485 N490 L492 P496 N510 L511 N514	L441-L487 HydrophobicContact CB-CD2 3.85Å; L441-L487 HydrophobicContact CD1-CD2 4.15Å; L473-L487 HydrophobicContact CD1-CD1 4.17Å; L473-L487 HydrophobicContact CD1-CD2 4.15Å; L485-L487 HydrophobicContact CD1-CG 4.2Å; L485-L487 HydrophobicContact CD2-CD1 3.97Å; L485-L487 HydrophobicContact CD2-CG 4.34Å; L485-L487 HydrophobicContact CG-CD1 4.34Å; L485-L487 HydrophobicContact CG-CG 4.16Å; L487-N490 PolarHBondContact O-ND2 3.22Å; L487-L492 HydrophobicContact CB-CD1 4.19Å; L487-L492 HydrophobicContact CD1-CD1 4.47Å; L487-P496 HydrophobicContact CD1-CG 4.38Å; L487-N510 PolarHBondContact N-O 2.9Å; L487-L511 HydrophobicContact CB-CD2 3.92Å; L487-L511 HydrophobicContact CD1-CD2 4.27Å; L487-N514 PolarHBondContact O-ND2 3.23Å
488	A	97.7	Very high	91.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	150.8	-179.1	0	0	0	0	0	111.9	S442 Y443 N490 N510 A512	S442-A488 CarbonylContact C-O 3.42Å; S442-A488 WeakPolarHBondContact CA-O 3.39Å; S442-A488 WeakPolarHBondContact CB-O 3.36Å; Y443-A488 PolarHBondContact N-O 3.19Å; A488-N490 PolarHBondContact O-N 3.14Å; A488-N490 PolarHBondContact O-ND2 2.74Å; A488-N510 PolarHBondContact N-O 3.02Å; A488-A512 CarbonylContact C-O 3.47Å; A488-A512 WeakPolarHBondContact CA-O 3.23Å; A488-A512 HydrophobicContact CB-CB 4.14Å; A488-A512 VanDerWaalsContact CB-O 3.25Å; A488-A512 WeakPolarHBondContact CB-O 3.33Å
489	G	96.2	Very high	91.6	Very high	20 Å²	20	34 Å²	34	21%	0.206	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	23.5	168.9	0	0	0	0	0	116.7	A512 G513	G489-A512 PolarHBondContact N-O 3.22Å; G489-G513 VanDerWaalsContact CA-O 3.26Å; G489-G513 WeakPolarHBondContact CA-O 3.37Å
490	N	93.3	Very high	91.2	Very high	2 Å²	2	34 Å²	34	1%	0.011	17%	0.17	C	C	.	.	S	Bend	trans	-104.3	-1.5	-174.5	-83.7	-64	0	0	0	115.3	L441 N444 F446 R447 L487 A488 L492 N514	L441-N490 PolarHBondContact O-ND2 3.06Å; N444-N490 VanDerWaalsContact CA-OD1 3.23Å; N444-N490 WeakPolarHBondContact CA-OD1 3.05Å; N444-N490 WeakPolarHBondContact CB-OD1 3.24Å; N444-N490 PolarHBondContact N-OD1 3.15Å; N444-N490 PolarHBondContact O-OD1 2.92Å; F446-N490 HydrophobicContact CB-CB 4.32Å; F446-N490 HydrophobicContact CD2-CB 4.36Å; F446-N490 WeakPolarHBondContact CD2-OD1 3.22Å; R447-N490 WeakPolarHBondContact CA-O 3.45Å; R447-N490 PolarHBondContact N-O 3.43Å; L487-N490 PolarHBondContact O-ND2 3.22Å; A488-N490 PolarHBondContact O-N 3.14Å; A488-N490 PolarHBondContact O-ND2 2.74Å; N490-L492 VanDerWaalsContact C-N 3.35Å; N490-L492 HydrophobicContact CB-CD2 4.4Å; N490-L492 HydrophobicContact CB-CG 4.05Å; N490-N514 WeakPolarHBondContact CA-OD1 3.19Å; N490-N514 PolarHBondContact N-OD1 3.21Å
491	G	91.2	Very high	91	Very high	11 Å²	11	32.4 Å²	32.4	11%	0.113	16%	0.161	C	C	.	.			trans	67	32.2	-176.5	0	0	0	0	0	113.8	N514	G491-N514 PolarHBondContact N-OD1 3.42Å
492	L	91.2	Very high	90.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.			trans	-69.1	131.9	175.8	-58.3	176.4	0	0	0	110.2	F471 L473 L487 N490 L511 N514 E515 L516	F471-L492 HydrophobicContact CZ-CD2 4.38Å; L473-L492 HydrophobicContact CD1-CD1 4.49Å; L473-L492 HydrophobicContact CD1-CD2 4.01Å; L487-L492 HydrophobicContact CB-CD1 4.19Å; L487-L492 HydrophobicContact CD1-CD1 4.47Å; N490-L492 VanDerWaalsContact C-N 3.35Å; N490-L492 HydrophobicContact CB-CD2 4.4Å; N490-L492 HydrophobicContact CB-CG 4.05Å; L492-L511 HydrophobicContact CD1-CD2 4.12Å; L492-N514 HydrophobicContact CB-CB 4.13Å; L492-N514 WeakPolarHBondContact CG-OD1 3.36Å; L492-N514 PolarHBondContact N-OD1 3.06Å; L492-E515 CarbonylContact O-C 3.27Å; L492-E515 VanDerWaalsContact O-CA 3.23Å; L492-E515 WeakPolarHBondContact O-CA 3.48Å; L492-E515 PolarHBondContact O-N 2.91Å; L492-L516 HydrophobicContact CB-CD2 4.16Å; L492-L516 PolarHBondContact O-N 3.11Å; L492-L516 VanDerWaalsContact O-N 3.08Å
493	Q	91.5	Very high	90.4	Very high	43 Å²	43	32.2 Å²	32.2	20%	0.201	16%	0.163	C	C	.	.	S	Bend	trans	-90.7	-19.4	178.6	-62.1	179.7	19.7	0	0	112.9	D448 E515 R517	D448-Q493 HydrophobicContact CB-CB 4.43Å; D448-Q493 HydrophobicContact CB-CG 4.03Å; D448-Q493 WeakPolarHBondContact OD2-CB 3.09Å; D448-Q493 PolarHBondContact OD2-N 3.28Å; Q493-E515 HydrophobicContact CG-CB 4.39Å; Q493-R517 PolarHBondContact O-N 3.17Å
494	R	90.5	Very high	90.3	Very high	141 Å²	141	35 Å²	35	53%	0.532	18%	0.179	S	C	.	.	S	Bend	trans	-143.2	157.1	177.6	-62.7	-174.8	-176.9	176.5	-0.5	111.2	F471 L516	F471-R494 HydrophobicContact CE2-CB 4.34Å; F471-R494 WeakPolarHBondContact CZ-O 3.1Å; R494-L516 VanDerWaalsContact CA-CD2 3.49Å; R494-L516 WeakPolarHBondContact O-CD2 3.36Å
495	I	92	Very high	90.1	Very high	4 Å²	4	36 Å²	36	2%	0.021	18%	0.179	C	C	.	.			trans	-68.8	130.6	171	-57.8	-178.8	0	0	0	107.8	E497 T500 L511 L516 V519 E522 L523 L534	I495-E497 VanDerWaalsContact C-N 3.34Å; I495-E497 PolarHBondContact O-N 2.93Å; I495-T500 HydrophobicContact CG2-CG2 3.82Å; I495-L511 HydrophobicContact CD1-CD1 4.27Å; I495-L511 HydrophobicContact CG1-CD1 4.09Å; I495-L511 HydrophobicContact CG2-CD1 4.2Å; I495-L516 HydrophobicContact CG1-CD1 4Å; I495-L516 HydrophobicContact CG1-CD2 4.17Å; I495-V519 HydrophobicContact CD1-CG1 4.05Å; I495-V519 HydrophobicContact CD1-CG2 4.42Å; I495-E522 HydrophobicContact CB-CB 3.98Å; I495-E522 HydrophobicContact CB-CG 4.1Å; I495-E522 HydrophobicContact CG2-CB 3.8Å; I495-E522 HydrophobicContact CG2-CG 4.44Å; I495-L523 HydrophobicContact CD1-CD1 4.21Å; I495-L523 HydrophobicContact CD1-CG 4.34Å; I495-L523 HydrophobicContact CG2-CD2 4.05Å; I495-L534 HydrophobicContact CD1-CD2 4.24Å
496	P	84.5	Confident	90.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.			trans	-73.7	84.1	-179.2	28.8	-34.3	0	0	0	111.7	F471 L473 L487 R498 L499 T500	F471-P496 HydrophobicContact CE1-CB 3.7Å; F471-P496 HydrophobicContact CZ-CB 4.13Å; L473-P496 HydrophobicContact CB-CB 4.22Å; L487-P496 HydrophobicContact CD1-CG 4.38Å; P496-R498 VanDerWaalsContact C-N 3.32Å; P496-R498 PolarHBondContact O-N 3.28Å; P496-L499 HydrophobicContact CB-CB 3.86Å; P496-L499 HydrophobicContact CG-CB 4.07Å; P496-L499 HydrophobicContact CG-CD1 4.49Å; P496-L499 HydrophobicContact CG-CD2 4.38Å; P496-L499 WeakPolarHBondContact O-CA 3.31Å; P496-L499 WeakPolarHBondContact O-CB 3.43Å; P496-L499 PolarHBondContact O-N 3.38Å; P496-T500 PolarHBondContact O-N 3.19Å; P496-T500 PolarHBondContact O-OG1 2.88Å
497	E	83.5	Confident	90.2	Very high	107 Å²	107	39.4 Å²	39.4	50%	0.5	19%	0.193	S	C	.	.	H	α-helix	trans	-49.3	-44.1	-174.8	-176.6	178.3	-170.6	0	0	114.5	I495 L499 T500 S501 E522	I495-E497 VanDerWaalsContact C-N 3.34Å; I495-E497 PolarHBondContact O-N 2.93Å; E497-L499 VanDerWaalsContact C-N 3.29Å; E497-L499 PolarHBondContact O-N 2.97Å; E497-T500 WeakPolarHBondContact CA-OG1 3.27Å; E497-T500 PolarHBondContact O-N 2.83Å; E497-T500 PolarHBondContact O-OG1 3.09Å; E497-S501 WeakPolarHBondContact O-CB 3.34Å; E497-S501 PolarHBondContact O-N 2.95Å; E497-S501 PolarHBondContact O-OG 2.99Å; E497-E522 HydrophobicContact CB-CB 4.01Å; E497-E522 HydrophobicContact CB-CG 3.79Å; E497-E522 HydrophobicContact CG-CB 4.22Å; E497-E522 HydrophobicContact CG-CG 4.2Å
498	R	76.8	Confident	90.3	Very high	163 Å²	163	42.2 Å²	42.2	62%	0.615	21%	0.206	S	C	*	.	H	α-helix	trans	-70.6	-27.6	179.9	-68.2	171.1	166.5	-143.8	5.5	112.9	N474 P496 S501	N474-R498 WeakPolarHBondContact O-CD 3.3Å; N474-R498 WeakPolarHBondContact OD1-CB 3.03Å; N474-R498 WeakPolarHBondContact OD1-CG 3.48Å; N474-R498 PolarHBondContact OD1-N 3.48Å; N474-R498 VanDerWaalsContact OD1-N 3.11Å; P496-R498 VanDerWaalsContact C-N 3.32Å; P496-R498 PolarHBondContact O-N 3.28Å; R498-S501 WeakPolarHBondContact CA-OG 3.25Å; R498-S501 PolarHBondContact O-OG 3.3Å
499	L	79.2	Confident	90.3	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-74.7	-51.2	174.7	-175.6	154.6	0	0	0	109.1	L473 L478 L485 P496 E497 S501 G502 L503	L473-L499 HydrophobicContact CB-CD1 3.96Å; L473-L499 HydrophobicContact CD2-CD1 4.4Å; L478-L499 HydrophobicContact CD1-CD1 3.82Å; L478-L499 HydrophobicContact CD1-CD2 3.98Å; L478-L499 HydrophobicContact CD1-CG 3.97Å; L478-L499 HydrophobicContact CG-CD1 4.14Å; L478-L499 HydrophobicContact CG-CG 4.31Å; L485-L499 HydrophobicContact CD2-CD2 3.54Å; P496-L499 HydrophobicContact CB-CB 3.86Å; P496-L499 HydrophobicContact CG-CB 4.07Å; P496-L499 HydrophobicContact CG-CD1 4.49Å; P496-L499 HydrophobicContact CG-CD2 4.38Å; P496-L499 WeakPolarHBondContact O-CA 3.31Å; P496-L499 WeakPolarHBondContact O-CB 3.43Å; P496-L499 PolarHBondContact O-N 3.38Å; E497-L499 VanDerWaalsContact C-N 3.29Å; E497-L499 PolarHBondContact O-N 2.97Å; L499-S501 PolarHBondContact O-N 2.83Å; L499-G502 PolarHBondContact O-N 2.78Å; L499-L503 HydrophobicContact CD2-CD1 3.78Å; L499-L503 WeakPolarHBondContact O-CG 3.2Å
500	T	82.7	Confident	90.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-40.9	-177.3	52.8	0	0	0	0	112.2	I495 P496 E497 G502 L503 L509 E522 L523 N526	I495-T500 HydrophobicContact CG2-CG2 3.82Å; P496-T500 PolarHBondContact O-N 3.19Å; P496-T500 PolarHBondContact O-OG1 2.88Å; E497-T500 WeakPolarHBondContact CA-OG1 3.27Å; E497-T500 PolarHBondContact O-N 2.83Å; E497-T500 PolarHBondContact O-OG1 3.09Å; T500-G502 VanDerWaalsContact C-N 3.25Å; T500-G502 PolarHBondContact O-N 3.11Å; T500-L503 PolarHBondContact O-N 2.95Å; T500-L503 VanDerWaalsContact O-N 3.09Å; T500-L509 HydrophobicContact CG2-CD2 4.35Å; T500-E522 PolarHBondContact OG1-O 3.36Å; T500-L523 HydrophobicContact CG2-CD2 3.86Å; T500-N526 PolarHBondContact O-ND2 3.08Å; T500-N526 PolarHBondContact O-OD1 3.11Å
501	S	85.3	Confident	90.6	Very high	51 Å²	51	43.7 Å²	43.7	36%	0.357	21%	0.209	S	C	.	.	H	α-helix	trans	-62.6	-26.9	179.7	54.8	0	0	0	0	114.5	E497 R498 L499	E497-S501 WeakPolarHBondContact O-CB 3.34Å; E497-S501 PolarHBondContact O-N 2.95Å; E497-S501 PolarHBondContact O-OG 2.99Å; R498-S501 WeakPolarHBondContact CA-OG 3.25Å; R498-S501 PolarHBondContact O-OG 3.3Å; L499-S501 PolarHBondContact O-N 2.83Å
502	G	86.2	Confident	91	Very high	23 Å²	23	43.5 Å²	43.5	24%	0.237	21%	0.207	C	C	.	.	H	α-helix	trans	-80	-19.3	175.4	0	0	0	0	0	114.6	L499 T500 L504	L499-G502 PolarHBondContact O-N 2.78Å; T500-G502 VanDerWaalsContact C-N 3.25Å; T500-G502 PolarHBondContact O-N 3.11Å; G502-L504 PolarHBondContact O-N 3.08Å; G502-L504 VanDerWaalsContact O-N 3.14Å
503	L	92.2	Very high	91.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.219	C	C	.	.			trans	-90.8	68.4	-174.7	-61.5	-176.8	0	0	0	111.8	L478 P479 I482 L485 L499 T500 Q505 L506 N526	L478-L503 HydrophobicContact CB-CD2 4.12Å; L478-L503 HydrophobicContact CD1-CD1 4.33Å; P479-L503 VanDerWaalsContact O-CD2 3.32Å; P479-L503 WeakPolarHBondContact O-CD2 3.48Å; I482-L503 HydrophobicContact CB-CD2 4.01Å; I482-L503 HydrophobicContact CD1-CD2 4.42Å; I482-L503 HydrophobicContact CG2-CD1 4.41Å; L485-L503 HydrophobicContact CD2-CD1 3.74Å; L499-L503 HydrophobicContact CD2-CD1 3.78Å; L499-L503 WeakPolarHBondContact O-CG 3.2Å; T500-L503 PolarHBondContact O-N 2.95Å; T500-L503 VanDerWaalsContact O-N 3.09Å; L503-Q505 PolarHBondContact O-N 3.03Å; L503-L506 HydrophobicContact CB-CB 4.07Å; L503-L506 HydrophobicContact CB-CD2 4.39Å; L503-L506 HydrophobicContact CD1-CD1 4.28Å; L503-L506 HydrophobicContact CD1-CD2 4.49Å; L503-L506 VanDerWaalsContact O-CB 3.22Å; L503-L506 WeakPolarHBondContact O-CB 3.36Å; L503-L506 PolarHBondContact O-N 2.95Å; L503-N526 PolarHBondContact O-ND2 3.02Å
504	L	93.8	Very high	91.5	Very high	97 Å²	97	43.1 Å²	43.1	51%	0.508	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.7	-177.3	-57.2	175.7	0	0	0	113.6	G502 A525	G502-L504 PolarHBondContact O-N 3.08Å; G502-L504 VanDerWaalsContact O-N 3.14Å; L504-A525 HydrophobicContact CD2-CB 4.21Å
505	Q	95.5	Very high	91.7	Very high	74 Å²	74	38.9 Å²	38.9	35%	0.346	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.1	177.3	-57.3	-53.5	-41.9	0	0	113.8	P480 I482 E483 L503 K507	P480-Q505 WeakPolarHBondContact O-CG 3.38Å; I482-Q505 CarbonylContact O-C 3.51Å; E483-Q505 HydrophobicContact CG-CB 4.33Å; L503-Q505 PolarHBondContact O-N 3.03Å; Q505-K507 PolarHBondContact O-N 2.76Å
506	L	97	Very high	91.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.			trans	-61.5	126.2	-173.1	-161.3	67.6	0	0	0	111.9	I482 L485 L503 L509 K528 L529	I482-L506 HydrophobicContact CG2-CD1 4.07Å; I482-L506 PolarHBondContact O-N 3.01Å; L485-L506 HydrophobicContact CB-CD1 3.77Å; L503-L506 HydrophobicContact CB-CB 4.07Å; L503-L506 HydrophobicContact CB-CD2 4.39Å; L503-L506 HydrophobicContact CD1-CD1 4.28Å; L503-L506 HydrophobicContact CD1-CD2 4.49Å; L503-L506 VanDerWaalsContact O-CB 3.22Å; L503-L506 WeakPolarHBondContact O-CB 3.36Å; L503-L506 PolarHBondContact O-N 2.95Å; L506-L509 HydrophobicContact CD2-CB 3.95Å; L506-L509 HydrophobicContact CD2-CD1 4.26Å; L506-L509 HydrophobicContact CD2-CD2 4.08Å; L506-L509 HydrophobicContact CD2-CG 4.32Å; L506-K528 CarbonylContact O-C 3.58Å; L506-K528 WeakPolarHBondContact O-CB 3.47Å; L506-L529 HydrophobicContact CB-CD1 4.4Å; L506-L529 HydrophobicContact CD2-CD1 4.04Å; L506-L529 HydrophobicContact CG-CD1 3.88Å; L506-L529 WeakPolarHBondContact O-CA 3.04Å; L506-L529 PolarHBondContact O-N 3.1Å; L506-L529 VanDerWaalsContact O-N 3.09Å
507	K	97.9	Very high	92.4	Very high	83 Å²	83	45.7 Å²	45.7	36%	0.361	22%	0.224	S	C	.	.			trans	-110.1	-41.1	177.3	-66.6	174.8	-178.7	167.5	0	111.4	E483 Q505 L529 T530 E531	E483-K507 HydrophobicContact CB-CD 4.38Å; E483-K507 PolarHBondContact O-N 3.41Å; E483-K507 VanDerWaalsContact OE2-CE 3.32Å; E483-K507 WeakPolarHBondContact OE2-CE 3.38Å; E483-K507 IonicContact OE2-NZ 3Å; E483-K507 PolarHBondContact OE2-NZ 3Å; Q505-K507 PolarHBondContact O-N 2.76Å; K507-L529 WeakPolarHBondContact O-CD1 3.45Å; K507-T530 PolarHBondContact O-N 3.35Å; K507-T530 PolarHBondContact O-OG1 2.77Å; K507-T530 VanDerWaalsContact O-OG1 3.06Å; K507-E531 PolarHBondContact O-N 3.34Å; K507-E531 VanDerWaalsContact O-N 3.11Å
508	H	98.4	Very high	93	Very high	59 Å²	59	41.4 Å²	41.4	27%	0.273	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.2	-179	-54.8	-94	0	0	0	110.3	E483 V484 L485 E531	E483-H508 PolarHBondContact O-N 3.32Å; E483-H508 VanDerWaalsContact O-N 3.09Å; V484-H508 HydrophobicContact CG1-CB 4.22Å; V484-H508 HydrophobicContact CG2-CB 4.21Å; L485-H508 PolarHBondContact N-O 3.02Å; H508-E531 IonicContact CE1-OE1 3.95Å; H508-E531 PolarHBondContact CE1-OE1 3.27Å; H508-E531 IonicContact CE1-OE2 2.64Å; H508-E531 PolarHBondContact CE1-OE2 3.2Å; H508-E531 IonicContact ND1-OE1 2.87Å; H508-E531 IonicContact ND1-OE2 3.66Å; H508-E531 PolarHBondContact ND1-OE2 3.22Å
509	L	98	Very high	93.9	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.6	176.8	179.3	56.5	0	0	0	110.5	L485 T500 L506 L511 L523 L529 E531 L532 N533	L485-L509 HydrophobicContact CB-CD1 4.24Å; L485-L509 HydrophobicContact CD2-CD1 4.1Å; L485-L509 HydrophobicContact CG-CD1 4.26Å; L485-L509 WeakPolarHBondContact O-CA 3.45Å; T500-L509 HydrophobicContact CG2-CD2 4.35Å; L506-L509 HydrophobicContact CD2-CB 3.95Å; L506-L509 HydrophobicContact CD2-CD1 4.26Å; L506-L509 HydrophobicContact CD2-CD2 4.08Å; L506-L509 HydrophobicContact CD2-CG 4.32Å; L509-L511 HydrophobicContact CD1-CD1 4.33Å; L509-L511 HydrophobicContact CD1-CG 4.06Å; L509-L511 HydrophobicContact CD2-CD1 3.88Å; L509-L511 HydrophobicContact CD2-CG 4.46Å; L509-L511 HydrophobicContact CG-CD1 4.02Å; L509-L511 HydrophobicContact CG-CG 4.07Å; L509-L523 HydrophobicContact CD2-CD2 3.54Å; L509-L529 HydrophobicContact CB-CD1 3.79Å; L509-E531 PolarHBondContact N-O 3.15Å; L509-L532 HydrophobicContact CB-CD1 4.07Å; L509-L532 HydrophobicContact CD2-CD1 3.97Å; L509-L532 HydrophobicContact CG-CD1 4.05Å; L509-N533 PolarHBondContact O-N 2.92Å
510	N	98.4	Very high	94.7	Very high	48 Å²	48	38 Å²	38	26%	0.257	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.2	175.4	-173.5	7.7	0	0	0	111.2	L485 L487 A488 A512	L485-N510 PolarHBondContact O-N 3.08Å; L487-N510 PolarHBondContact N-O 2.9Å; A488-N510 PolarHBondContact N-O 3.02Å; N510-A512 WeakPolarHBondContact OD1-CB 3.49Å; N510-A512 PolarHBondContact OD1-N 2.88Å; N510-A512 VanDerWaalsContact OD1-N 3.08Å
511	L	97.6	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.			trans	-122.8	17.7	178	-71.5	168.3	0	0	0	111.7	L487 L492 I495 L509 N514 L516 N533 L534 N537	L487-L511 HydrophobicContact CB-CD2 3.92Å; L487-L511 HydrophobicContact CD1-CD2 4.27Å; L492-L511 HydrophobicContact CD1-CD2 4.12Å; I495-L511 HydrophobicContact CD1-CD1 4.27Å; I495-L511 HydrophobicContact CG1-CD1 4.09Å; I495-L511 HydrophobicContact CG2-CD1 4.2Å; L509-L511 HydrophobicContact CD1-CD1 4.33Å; L509-L511 HydrophobicContact CD1-CG 4.06Å; L509-L511 HydrophobicContact CD2-CD1 3.88Å; L509-L511 HydrophobicContact CD2-CG 4.46Å; L509-L511 HydrophobicContact CG-CD1 4.02Å; L509-L511 HydrophobicContact CG-CG 4.07Å; L511-N514 PolarHBondContact O-ND2 3.01Å; L511-L516 HydrophobicContact CB-CD1 4.12Å; L511-L516 HydrophobicContact CD1-CD1 4.44Å; L511-N533 WeakPolarHBondContact CA-O 3.35Å; L511-N533 PolarHBondContact N-O 2.88Å; L511-L534 HydrophobicContact CB-CD2 3.89Å; L511-L534 HydrophobicContact CD1-CD2 3.9Å; L511-N537 PolarHBondContact O-ND2 2.87Å
512	A	98.4	Very high	95.6	Very high	8 Å²	8	39.1 Å²	39.1	7%	0.066	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	153	-178.8	0	0	0	0	0	113.5	A488 G489 N510 N514 N533 N535	A488-A512 CarbonylContact C-O 3.47Å; A488-A512 WeakPolarHBondContact CA-O 3.23Å; A488-A512 HydrophobicContact CB-CB 4.14Å; A488-A512 VanDerWaalsContact CB-O 3.25Å; A488-A512 WeakPolarHBondContact CB-O 3.33Å; G489-A512 PolarHBondContact N-O 3.22Å; N510-A512 WeakPolarHBondContact OD1-CB 3.49Å; N510-A512 PolarHBondContact OD1-N 2.88Å; N510-A512 VanDerWaalsContact OD1-N 3.08Å; A512-N514 VanDerWaalsContact C-N 3.3Å; A512-N514 PolarHBondContact O-N 3.43Å; A512-N514 PolarHBondContact O-ND2 3.03Å; A512-N533 PolarHBondContact N-O 3.47Å; A512-N535 CarbonylContact C-O 3.58Å; A512-N535 WeakPolarHBondContact CA-O 3.03Å; A512-N535 WeakPolarHBondContact CB-OD1 3.25Å
513	G	97.4	Very high	96	Very high	25 Å²	25	38.1 Å²	38.1	26%	0.258	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	26.7	170.7	0	0	0	0	0	114.6	G489 N535 N536	G489-G513 VanDerWaalsContact CA-O 3.26Å; G489-G513 WeakPolarHBondContact CA-O 3.37Å; G513-N535 PolarHBondContact N-O 2.97Å; G513-N536 CarbonylContact C-O 3.35Å; G513-N536 WeakPolarHBondContact CA-O 3.33Å; G513-N536 PolarHBondContact N-O 2.96Å
514	N	95.9	Very high	96.1	Very high	9 Å²	9	43.9 Å²	43.9	5%	0.048	21%	0.208	C	C	.	.	S	Bend	trans	-102.8	-168.6	176.5	-79.9	-67.2	0	0	0	110.9	L487 N490 G491 L492 L511 A512 L516 N536 N537	L487-N514 PolarHBondContact O-ND2 3.23Å; N490-N514 WeakPolarHBondContact CA-OD1 3.19Å; N490-N514 PolarHBondContact N-OD1 3.21Å; G491-N514 PolarHBondContact N-OD1 3.42Å; L492-N514 HydrophobicContact CB-CB 4.13Å; L492-N514 WeakPolarHBondContact CG-OD1 3.36Å; L492-N514 PolarHBondContact N-OD1 3.06Å; L511-N514 PolarHBondContact O-ND2 3.01Å; A512-N514 VanDerWaalsContact C-N 3.3Å; A512-N514 PolarHBondContact O-N 3.43Å; A512-N514 PolarHBondContact O-ND2 3.03Å; N514-L516 HydrophobicContact CB-CG 4.09Å; N514-N536 PolarHBondContact N-O 3.05Å; N514-N537 WeakPolarHBondContact CA-OD1 3.23Å; N514-N537 WeakPolarHBondContact CB-OD1 3.49Å; N514-N537 PolarHBondContact N-OD1 3.27Å; N514-N537 PolarHBondContact O-OD1 2.84Å; N514-N537 VanDerWaalsContact O-OD1 3.12Å
515	E	95.2	Very high	96.1	Very high	53 Å²	53	41 Å²	41	25%	0.248	20%	0.198	C	C	.	.			trans	-110.4	28.5	177.1	-63.9	-173.4	-146.7	0	0	111.9	L492 Q493 R517 N537 R538	L492-E515 CarbonylContact O-C 3.27Å; L492-E515 VanDerWaalsContact O-CA 3.23Å; L492-E515 WeakPolarHBondContact O-CA 3.48Å; L492-E515 PolarHBondContact O-N 2.91Å; Q493-E515 HydrophobicContact CG-CB 4.39Å; E515-R517 PolarHBondContact O-N 2.68Å; E515-N537 PolarHBondContact N-OD1 3.42Å; E515-R538 IonicContact OE2-CZ 3.41Å; E515-R538 IonicContact OE2-NH1 2.73Å; E515-R538 PolarHBondContact OE2-NH1 3.5Å; E515-R538 IonicContact OE2-NH2 3.61Å
516	L	96	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.			trans	-60.6	125.4	-175.3	-60.8	178.6	0	0	0	110	L492 R494 I495 L511 N514 L534 N537 R538 I539	L492-L516 HydrophobicContact CB-CD2 4.16Å; L492-L516 PolarHBondContact O-N 3.11Å; L492-L516 VanDerWaalsContact O-N 3.08Å; R494-L516 VanDerWaalsContact CA-CD2 3.49Å; R494-L516 WeakPolarHBondContact O-CD2 3.36Å; I495-L516 HydrophobicContact CG1-CD1 4Å; I495-L516 HydrophobicContact CG1-CD2 4.17Å; L511-L516 HydrophobicContact CB-CD1 4.12Å; L511-L516 HydrophobicContact CD1-CD1 4.44Å; N514-L516 HydrophobicContact CB-CG 4.09Å; L516-L534 HydrophobicContact CD1-CD2 3.67Å; L516-N537 HydrophobicContact CB-CB 4.14Å; L516-N537 WeakPolarHBondContact CB-OD1 3.42Å; L516-N537 WeakPolarHBondContact CG-OD1 3.29Å; L516-N537 PolarHBondContact N-OD1 2.77Å; L516-N537 VanDerWaalsContact N-OD1 3.1Å; L516-R538 CarbonylContact O-C 3.45Å; L516-R538 VanDerWaalsContact O-CA 3.23Å; L516-R538 WeakPolarHBondContact O-CA 3.44Å; L516-R538 PolarHBondContact O-N 2.81Å; L516-I539 HydrophobicContact CB-CD1 4.4Å; L516-I539 HydrophobicContact CB-CG1 3.99Å; L516-I539 WeakPolarHBondContact O-CA 3.47Å; L516-I539 WeakPolarHBondContact O-CG1 3.33Å; L516-I539 PolarHBondContact O-N 3.24Å
517	R	95.9	Very high	96	Very high	146 Å²	146	45.3 Å²	45.3	55%	0.551	21%	0.212	S	C	*	.			trans	-93.2	-26	-178.5	-61.9	-173.4	-176.8	-149.5	0.6	114.2	Q493 E515 R538 I539 S540	Q493-R517 PolarHBondContact O-N 3.17Å; E515-R517 PolarHBondContact O-N 2.68Å; R517-R538 WeakPolarHBondContact CA-O 3.35Å; R517-I539 WeakPolarHBondContact O-CA 3.31Å; R517-S540 PolarHBondContact O-N 3.41Å
518	S	95.7	Very high	95.9	Very high	18 Å²	18	44.9 Å²	44.9	13%	0.126	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.4	-178.1	61.2	0	0	0	0	111.3	Y541	S518-Y541 CarbonylContact C-O 3.52Å; S518-Y541 WeakPolarHBondContact CA-O 3.39Å; S518-Y541 WeakPolarHBondContact CB-O 3.47Å
519	V	96.5	Very high	95.9	Very high	1 Å²	1	42 Å²	42	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.6	165.4	-172.6	0	0	0	0	107.8	I495 L534 I539 Y541 V542 H543 A546 F547	I495-V519 HydrophobicContact CD1-CG1 4.05Å; I495-V519 HydrophobicContact CD1-CG2 4.42Å; V519-L534 HydrophobicContact CG2-CD1 4.02Å; V519-I539 HydrophobicContact CG2-CD1 3.8Å; V519-I539 HydrophobicContact CG2-CG1 4.37Å; V519-I539 HydrophobicContact CG2-CG2 4.2Å; V519-Y541 PolarHBondContact N-O 3.18Å; V519-V542 HydrophobicContact CB-CG1 4.43Å; V519-V542 HydrophobicContact CB-CG2 4.47Å; V519-V542 HydrophobicContact CG2-CG2 4.46Å; V519-H543 WeakPolarHBondContact O-CB 2.95Å; V519-H543 PolarHBondContact O-N 3.33Å; V519-A546 HydrophobicContact CG1-CB 3.94Å; V519-F547 HydrophobicContact CB-CZ 4.44Å; V519-F547 HydrophobicContact CG1-CE1 3.8Å; V519-F547 HydrophobicContact CG1-CZ 3.95Å
520	Q	95	Very high	95.9	Very high	95 Å²	95	43.4 Å²	43.4	44%	0.444	21%	0.205	S	C	.	.			trans	-105.6	-126.2	178.6	-55.8	-174.1	10	0	0	110.1	E522 A546	Q520-E522 WeakPolarHBondContact CA-OE2 3.24Å; Q520-E522 WeakPolarHBondContact CB-OE2 3.39Å; Q520-E522 PolarHBondContact N-OE2 3.49Å; Q520-A546 WeakPolarHBondContact O-CA 3.5Å; Q520-A546 WeakPolarHBondContact O-CB 2.84Å
521	L	94.3	Very high	95.9	Very high	61 Å²	61	45.1 Å²	45.1	32%	0.319	21%	0.212	S	C	.	.	S	Bend	trans	-104.1	13	-177.9	-61.8	179	0	0	0	113	L523 R524	L521-L523 PolarHBondContact O-N 2.69Å; L521-L523 VanDerWaalsContact O-N 3.09Å; L521-R524 VanDerWaalsContact O-CB 3.27Å; L521-R524 WeakPolarHBondContact O-CB 3.28Å; L521-R524 PolarHBondContact O-N 2.76Å; L521-R524 VanDerWaalsContact O-N 3.11Å
522	E	92.4	Very high	95.9	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.065	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.6	-170.1	-55.7	93.7	151.4	0	0	113.7	I495 E497 T500 Q520	I495-E522 HydrophobicContact CB-CB 3.98Å; I495-E522 HydrophobicContact CB-CG 4.1Å; I495-E522 HydrophobicContact CG2-CB 3.8Å; I495-E522 HydrophobicContact CG2-CG 4.44Å; E497-E522 HydrophobicContact CB-CB 4.01Å; E497-E522 HydrophobicContact CB-CG 3.79Å; E497-E522 HydrophobicContact CG-CB 4.22Å; E497-E522 HydrophobicContact CG-CG 4.2Å; T500-E522 PolarHBondContact OG1-O 3.36Å; Q520-E522 WeakPolarHBondContact CA-OE2 3.24Å; Q520-E522 WeakPolarHBondContact CB-OE2 3.39Å; Q520-E522 PolarHBondContact N-OE2 3.49Å
523	L	94.9	Very high	95.9	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	1.6	-177.9	-59.4	178.5	0	0	0	113.5	I495 T500 L509 L521 A525 N526 L532 L550	I495-L523 HydrophobicContact CD1-CD1 4.21Å; I495-L523 HydrophobicContact CD1-CG 4.34Å; I495-L523 HydrophobicContact CG2-CD2 4.05Å; T500-L523 HydrophobicContact CG2-CD2 3.86Å; L509-L523 HydrophobicContact CD2-CD2 3.54Å; L521-L523 PolarHBondContact O-N 2.69Å; L521-L523 VanDerWaalsContact O-N 3.09Å; L523-A525 PolarHBondContact O-N 2.88Å; L523-N526 WeakPolarHBondContact CA-OD1 2.96Å; L523-N526 PolarHBondContact O-N 3.28Å; L523-N526 PolarHBondContact O-OD1 2.82Å; L523-L532 HydrophobicContact CD1-CD1 3.96Å; L523-L532 HydrophobicContact CD1-CD2 3.48Å; L523-L532 VanDerWaalsContact CD1-CD2 3.48Å; L523-L532 HydrophobicContact CD1-CG 4.4Å; L523-L550 HydrophobicContact CB-CD1 4.5Å; L523-L550 HydrophobicContact CB-CD2 4.45Å; L523-L550 WeakPolarHBondContact O-CD2 2.87Å
524	R	94.1	Very high	96	Very high	122 Å²	122	45.7 Å²	45.7	46%	0.46	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.4	-171.9	-164	178.7	178.4	166.5	1.7	113.8	L521 Q549	L521-R524 VanDerWaalsContact O-CB 3.27Å; L521-R524 WeakPolarHBondContact O-CB 3.28Å; L521-R524 PolarHBondContact O-N 2.76Å; L521-R524 VanDerWaalsContact O-N 3.11Å; R524-Q549 HydrophobicContact CG-CB 3.96Å; R524-Q549 HydrophobicContact CG-CG 3.4Å; R524-Q549 VanDerWaalsContact CG-CG 3.4Å; R524-Q549 WeakPolarHBondContact O-CB 3.11Å
525	A	93.4	Very high	96.1	Very high	36 Å²	36	47.1 Å²	47.1	30%	0.298	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-20.6	179.4	0	0	0	0	0	114	L504 L523 R527	L504-A525 HydrophobicContact CD2-CB 4.21Å; L523-A525 PolarHBondContact O-N 2.88Å; A525-R527 PolarHBondContact O-N 2.93Å
526	N	95.2	Very high	96.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.226	C	C	.	.			trans	-82.2	57.7	-172	-55	103.8	0	0	0	112.3	T500 L503 L523 K528 L529 L550	T500-N526 PolarHBondContact O-ND2 3.08Å; T500-N526 PolarHBondContact O-OD1 3.11Å; L503-N526 PolarHBondContact O-ND2 3.02Å; L523-N526 WeakPolarHBondContact CA-OD1 2.96Å; L523-N526 PolarHBondContact O-N 3.28Å; L523-N526 PolarHBondContact O-OD1 2.82Å; N526-K528 PolarHBondContact O-N 3.31Å; N526-L529 HydrophobicContact CB-CB 4.32Å; N526-L529 VanDerWaalsContact O-CB 3.24Å; N526-L529 WeakPolarHBondContact O-CB 3.36Å; N526-L529 PolarHBondContact O-N 3.11Å; N526-L550 HydrophobicContact CB-CD2 4.32Å; N526-L550 WeakPolarHBondContact O-CD2 3.37Å
527	R	95.2	Very high	96.4	Very high	165 Å²	165	49.3 Å²	49.3	62%	0.623	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.1	-174.2	-61.7	-177.5	-178.4	177.6	1	114.7	A525	A525-R527 PolarHBondContact O-N 2.93Å
528	K	96.5	Very high	96.4	Very high	74 Å²	74	48.3 Å²	48.3	32%	0.322	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.6	176.2	-69.1	-167.7	-179.7	-171.6	0	113.9	L506 N526 T530	L506-K528 CarbonylContact O-C 3.58Å; L506-K528 WeakPolarHBondContact O-CB 3.47Å; N526-K528 PolarHBondContact O-N 3.31Å; K528-T530 PolarHBondContact O-N 2.69Å
529	L	97.8	Very high	96.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.219	C	C	.	.			trans	-62.9	126	-176.3	-156.3	73.6	0	0	0	110.8	L506 K507 L509 N526 L532 L550 R552 L553	L506-L529 HydrophobicContact CB-CD1 4.4Å; L506-L529 HydrophobicContact CD2-CD1 4.04Å; L506-L529 HydrophobicContact CG-CD1 3.88Å; L506-L529 WeakPolarHBondContact O-CA 3.04Å; L506-L529 PolarHBondContact O-N 3.1Å; L506-L529 VanDerWaalsContact O-N 3.09Å; K507-L529 WeakPolarHBondContact O-CD1 3.45Å; L509-L529 HydrophobicContact CB-CD1 3.79Å; N526-L529 HydrophobicContact CB-CB 4.32Å; N526-L529 VanDerWaalsContact O-CB 3.24Å; N526-L529 WeakPolarHBondContact O-CB 3.36Å; N526-L529 PolarHBondContact O-N 3.11Å; L529-L532 HydrophobicContact CD2-CB 3.87Å; L529-L532 HydrophobicContact CD2-CD1 4.23Å; L529-L532 HydrophobicContact CD2-CD2 4.29Å; L529-L532 HydrophobicContact CD2-CG 4.36Å; L529-L550 HydrophobicContact CB-CD2 4.26Å; L529-L550 HydrophobicContact CD2-CD1 4.13Å; L529-L550 HydrophobicContact CD2-CD2 4.35Å; L529-R552 CarbonylContact O-C 3.41Å; L529-L553 HydrophobicContact CB-CD1 4.45Å; L529-L553 HydrophobicContact CD2-CD1 4.06Å; L529-L553 HydrophobicContact CG-CD1 4.11Å; L529-L553 WeakPolarHBondContact O-CA 3.37Å; L529-L553 PolarHBondContact O-N 2.79Å; L529-L553 VanDerWaalsContact O-N 3.08Å
530	T	97.8	Very high	96.6	Very high	35 Å²	35	51 Å²	51	22%	0.215	24%	0.244	C	C	.	.			trans	-107.6	-29	176.9	48.5	0	0	0	0	111.5	K507 K528 R552 R554 H555	K507-T530 PolarHBondContact O-N 3.35Å; K507-T530 PolarHBondContact O-OG1 2.77Å; K507-T530 VanDerWaalsContact O-OG1 3.06Å; K528-T530 PolarHBondContact O-N 2.69Å; T530-R552 HydrophobicContact CG2-CB 4.38Å; T530-R554 PolarHBondContact O-N 3.14Å; T530-H555 PolarHBondContact O-N 3.35Å; T530-H555 VanDerWaalsContact O-N 3.15Å
531	E	98.5	Very high	96.6	Very high	83 Å²	83	52 Å²	52	39%	0.388	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.6	-179.2	-57.4	-179.9	-171	0	0	111.5	K507 H508 L509 H555	K507-E531 PolarHBondContact O-N 3.34Å; K507-E531 VanDerWaalsContact O-N 3.11Å; H508-E531 IonicContact CE1-OE1 3.95Å; H508-E531 PolarHBondContact CE1-OE1 3.27Å; H508-E531 IonicContact CE1-OE2 2.64Å; H508-E531 PolarHBondContact CE1-OE2 3.2Å; H508-E531 IonicContact ND1-OE1 2.87Å; H508-E531 IonicContact ND1-OE2 3.66Å; H508-E531 PolarHBondContact ND1-OE2 3.22Å; L509-E531 PolarHBondContact N-O 3.15Å; E531-H555 WeakPolarHBondContact CA-O 3.43Å; E531-H555 HydrophobicContact CB-CB 4.41Å; E531-H555 HydrophobicContact CG-CB 4.06Å
532	L	98.5	Very high	96.7	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	116	178	178.3	56.8	0	0	0	109.8	L509 L523 L529 L534 F547 L550 L553 H555 L556 N557	L509-L532 HydrophobicContact CB-CD1 4.07Å; L509-L532 HydrophobicContact CD2-CD1 3.97Å; L509-L532 HydrophobicContact CG-CD1 4.05Å; L523-L532 HydrophobicContact CD1-CD1 3.96Å; L523-L532 HydrophobicContact CD1-CD2 3.48Å; L523-L532 VanDerWaalsContact CD1-CD2 3.48Å; L523-L532 HydrophobicContact CD1-CG 4.4Å; L529-L532 HydrophobicContact CD2-CB 3.87Å; L529-L532 HydrophobicContact CD2-CD1 4.23Å; L529-L532 HydrophobicContact CD2-CD2 4.29Å; L529-L532 HydrophobicContact CD2-CG 4.36Å; L532-L534 HydrophobicContact CD1-CD1 4.26Å; L532-L534 HydrophobicContact CD1-CG 4.05Å; L532-L534 HydrophobicContact CD2-CD1 3.81Å; L532-L534 HydrophobicContact CD2-CG 4.47Å; L532-L534 HydrophobicContact CG-CD1 3.92Å; L532-L534 HydrophobicContact CG-CG 4.06Å; L532-F547 HydrophobicContact CD2-CD1 4.07Å; L532-F547 HydrophobicContact CD2-CE1 3.74Å; L532-L550 HydrophobicContact CD2-CD1 4.19Å; L532-L553 HydrophobicContact CB-CD1 3.79Å; L532-H555 PolarHBondContact N-O 2.97Å; L532-L556 HydrophobicContact CB-CD1 4.05Å; L532-L556 HydrophobicContact CD2-CD1 3.85Å; L532-L556 HydrophobicContact CG-CD1 3.96Å; L532-L556 WeakPolarHBondContact O-CA 3.49Å; L532-N557 PolarHBondContact O-N 3.19Å; L532-N557 VanDerWaalsContact O-N 3.08Å
533	N	98.6	Very high	96.9	Very high	43 Å²	43	51.6 Å²	51.6	23%	0.23	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117	174.3	-168.5	6.8	0	0	0	111.3	L509 L511 A512 N535	L509-N533 PolarHBondContact O-N 2.92Å; L511-N533 WeakPolarHBondContact CA-O 3.35Å; L511-N533 PolarHBondContact N-O 2.88Å; A512-N533 PolarHBondContact N-O 3.47Å; N533-N535 VanDerWaalsContact CG-OD1 3.23Å; N533-N535 PolarHBondContact ND2-OD1 3.02Å; N533-N535 WeakPolarHBondContact OD1-CB 3.41Å; N533-N535 PolarHBondContact OD1-N 2.82Å; N533-N535 PolarHBondContact OD1-OD1 3.41Å
534	L	98.4	Very high	96.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.253	C	S	.	.			trans	-123	13.1	178.5	-72.3	164.7	0	0	0	111.4	I495 L511 L516 V519 L532 N537 I539 F547 N557 L558 N561	I495-L534 HydrophobicContact CD1-CD2 4.24Å; L511-L534 HydrophobicContact CB-CD2 3.89Å; L511-L534 HydrophobicContact CD1-CD2 3.9Å; L516-L534 HydrophobicContact CD1-CD2 3.67Å; V519-L534 HydrophobicContact CG2-CD1 4.02Å; L532-L534 HydrophobicContact CD1-CD1 4.26Å; L532-L534 HydrophobicContact CD1-CG 4.05Å; L532-L534 HydrophobicContact CD2-CD1 3.81Å; L532-L534 HydrophobicContact CD2-CG 4.47Å; L532-L534 HydrophobicContact CG-CD1 3.92Å; L532-L534 HydrophobicContact CG-CG 4.06Å; L534-N537 PolarHBondContact O-ND2 2.76Å; L534-I539 HydrophobicContact CB-CD1 4.1Å; L534-I539 HydrophobicContact CD2-CD1 4.42Å; L534-F547 HydrophobicContact CD1-CE1 4.16Å; L534-F547 HydrophobicContact CD1-CZ 4.2Å; L534-N557 CarbonylContact C-O 3.55Å; L534-N557 WeakPolarHBondContact CA-O 3.44Å; L534-N557 PolarHBondContact N-O 3.18Å; L534-L558 HydrophobicContact CB-CD2 3.97Å; L534-L558 HydrophobicContact CD1-CD2 3.84Å; L534-N561 PolarHBondContact O-ND2 2.93Å
535	N	98.2	Very high	96.9	Very high	38 Å²	38	48.7 Å²	48.7	20%	0.203	24%	0.238	C	C	.	.			trans	-65.2	156.3	-174.1	84	-58.8	0	0	0	112.4	A512 G513 N533 N537 N557 G559	A512-N535 CarbonylContact C-O 3.58Å; A512-N535 WeakPolarHBondContact CA-O 3.03Å; A512-N535 WeakPolarHBondContact CB-OD1 3.25Å; G513-N535 PolarHBondContact N-O 2.97Å; N533-N535 VanDerWaalsContact CG-OD1 3.23Å; N533-N535 PolarHBondContact ND2-OD1 3.02Å; N533-N535 WeakPolarHBondContact OD1-CB 3.41Å; N533-N535 PolarHBondContact OD1-N 2.82Å; N533-N535 PolarHBondContact OD1-OD1 3.41Å; N535-N537 PolarHBondContact O-ND2 3.29Å; N535-N557 HydrophobicContact CB-CB 4.47Å; N535-N557 WeakPolarHBondContact CB-OD1 3.26Å; N535-N557 PolarHBondContact N-O 3.34Å; N535-G559 CarbonylContact C-O 3.55Å; N535-G559 WeakPolarHBondContact CA-O 3.06Å; N535-G559 WeakPolarHBondContact CB-O 3.16Å
536	N	98.3	Very high	97	Very high	89 Å²	89	47 Å²	47	48%	0.476	23%	0.225	S	C	.	.	S	Bend	trans	56.1	58.6	177	-164.4	31.5	0	0	0	112.4	G513 N514 G559 W560	G513-N536 CarbonylContact C-O 3.35Å; G513-N536 WeakPolarHBondContact CA-O 3.33Å; G513-N536 PolarHBondContact N-O 2.96Å; N514-N536 PolarHBondContact N-O 3.05Å; N536-G559 PolarHBondContact N-O 2.82Å; N536-W560 VanDerWaalsContact CA-O 3.3Å; N536-W560 WeakPolarHBondContact CA-O 2.97Å; N536-W560 HydrophobicContact CB-CB 4.12Å; N536-W560 PolarHBondContact N-O 3.48Å
537	N	98.3	Very high	97	Very high	11 Å²	11	47 Å²	47	6%	0.059	23%	0.225	C	C	.	.	S	Bend	trans	-126.1	-164.8	177.6	-90.2	-77.8	0	0	0	109.6	L511 N514 E515 L516 L534 N535 I539 W560 N561	L511-N537 PolarHBondContact O-ND2 2.87Å; N514-N537 WeakPolarHBondContact CA-OD1 3.23Å; N514-N537 WeakPolarHBondContact CB-OD1 3.49Å; N514-N537 PolarHBondContact N-OD1 3.27Å; N514-N537 PolarHBondContact O-OD1 2.84Å; N514-N537 VanDerWaalsContact O-OD1 3.12Å; E515-N537 PolarHBondContact N-OD1 3.42Å; L516-N537 HydrophobicContact CB-CB 4.14Å; L516-N537 WeakPolarHBondContact CB-OD1 3.42Å; L516-N537 WeakPolarHBondContact CG-OD1 3.29Å; L516-N537 PolarHBondContact N-OD1 2.77Å; L516-N537 VanDerWaalsContact N-OD1 3.1Å; L534-N537 PolarHBondContact O-ND2 2.76Å; N535-N537 PolarHBondContact O-ND2 3.29Å; N537-I539 HydrophobicContact CB-CD1 4.06Å; N537-I539 HydrophobicContact CB-CG1 3.99Å; N537-W560 PolarHBondContact N-O 3.29Å; N537-N561 WeakPolarHBondContact CA-OD1 3.48Å; N537-N561 WeakPolarHBondContact CB-OD1 3.37Å; N537-N561 PolarHBondContact N-OD1 3.48Å; N537-N561 PolarHBondContact O-OD1 2.98Å
538	R	97.5	Very high	96.9	Very high	124 Å²	124	41.9 Å²	41.9	47%	0.468	21%	0.208	S	C	.	.			trans	-114.9	29.9	174.9	-62.8	-174	-178.2	151.6	6.6	111.9	E515 L516 R517 S540 N561	E515-R538 IonicContact OE2-CZ 3.41Å; E515-R538 IonicContact OE2-NH1 2.73Å; E515-R538 PolarHBondContact OE2-NH1 3.5Å; E515-R538 IonicContact OE2-NH2 3.61Å; L516-R538 CarbonylContact O-C 3.45Å; L516-R538 VanDerWaalsContact O-CA 3.23Å; L516-R538 WeakPolarHBondContact O-CA 3.44Å; L516-R538 PolarHBondContact O-N 2.81Å; R517-R538 WeakPolarHBondContact CA-O 3.35Å; R538-S540 PolarHBondContact O-N 2.98Å; R538-S540 VanDerWaalsContact O-N 3.14Å; R538-N561 PolarHBondContact N-OD1 3.06Å
539	I	98	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.			trans	-69.5	114	-172.1	-61.1	164.4	0	0	0	108.4	L516 R517 V519 L534 N537 V542 L558 N561 P562 I563	L516-I539 HydrophobicContact CB-CD1 4.4Å; L516-I539 HydrophobicContact CB-CG1 3.99Å; L516-I539 WeakPolarHBondContact O-CA 3.47Å; L516-I539 WeakPolarHBondContact O-CG1 3.33Å; L516-I539 PolarHBondContact O-N 3.24Å; R517-I539 WeakPolarHBondContact O-CA 3.31Å; V519-I539 HydrophobicContact CG2-CD1 3.8Å; V519-I539 HydrophobicContact CG2-CG1 4.37Å; V519-I539 HydrophobicContact CG2-CG2 4.2Å; L534-I539 HydrophobicContact CB-CD1 4.1Å; L534-I539 HydrophobicContact CD2-CD1 4.42Å; N537-I539 HydrophobicContact CB-CD1 4.06Å; N537-I539 HydrophobicContact CB-CG1 3.99Å; I539-V542 HydrophobicContact CG2-CG2 3.86Å; I539-L558 HydrophobicContact CD1-CD2 4.39Å; I539-N561 HydrophobicContact CB-CB 4.05Å; I539-N561 VanDerWaalsContact CB-OD1 3.29Å; I539-N561 WeakPolarHBondContact CB-OD1 3.15Å; I539-N561 WeakPolarHBondContact CG1-OD1 3.4Å; I539-N561 PolarHBondContact N-OD1 2.69Å; I539-P562 CarbonylContact O-C 3.35Å; I539-P562 VanDerWaalsContact O-C 3.22Å; I539-P562 WeakPolarHBondContact O-CD 3.22Å; I539-I563 HydrophobicContact CG2-CG1 4.26Å; I539-I563 WeakPolarHBondContact O-CG1 3.1Å; I539-I563 PolarHBondContact O-N 2.76Å
540	S	96.7	Very high	96.7	Very high	75 Å²	75	39.9 Å²	39.9	52%	0.524	20%	0.2	S	C	.	.			trans	-111.2	-1.7	174.5	68.9	0	0	0	0	113	R517 R538 P562	R517-S540 PolarHBondContact O-N 3.41Å; R538-S540 PolarHBondContact O-N 2.98Å; R538-S540 VanDerWaalsContact O-N 3.14Å; S540-P562 WeakPolarHBondContact CA-O 3.1Å
541	Y	95.8	Very high	96.5	Very high	116 Å²	116	46.2 Å²	46.2	46%	0.455	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	130.2	179.6	177.8	-102.4	0	0	0	111.3	S518 V519 H543	S518-Y541 CarbonylContact C-O 3.52Å; S518-Y541 WeakPolarHBondContact CA-O 3.39Å; S518-Y541 WeakPolarHBondContact CB-O 3.47Å; V519-Y541 PolarHBondContact N-O 3.18Å; Y541-H543 HydrophobicContact CE1-CB 4.15Å
542	V	96	Very high	96.4	Very high	11 Å²	11	48.6 Å²	48.6	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.6	172.2	177.8	0	0	0	0	108	V519 I539 A546 F547 V569	V519-V542 HydrophobicContact CB-CG1 4.43Å; V519-V542 HydrophobicContact CB-CG2 4.47Å; V519-V542 HydrophobicContact CG2-CG2 4.46Å; I539-V542 HydrophobicContact CG2-CG2 3.86Å; V542-A546 HydrophobicContact CG1-CB 4.06Å; V542-F547 HydrophobicContact CG1-CD2 4.34Å; V542-F547 HydrophobicContact CG1-CE2 3.59Å; V542-F547 HydrophobicContact CG1-CZ 4.07Å; V542-V569 HydrophobicContact CB-CG2 3.87Å; V542-V569 HydrophobicContact CG1-CG1 3.85Å; V542-V569 HydrophobicContact CG1-CG2 3.76Å
543	H	96.1	Very high	96.4	Very high	56 Å²	56	48.5 Å²	48.5	26%	0.259	22%	0.224	S	C	.	.			trans	-63.3	138.5	178.5	-176.7	-88.7	0	0	0	110.6	V519 Y541 T545 A546	V519-H543 WeakPolarHBondContact O-CB 2.95Å; V519-H543 PolarHBondContact O-N 3.33Å; Y541-H543 HydrophobicContact CE1-CB 4.15Å; H543-T545 PolarHBondContact CE1-OG1 2.83Å; H543-T545 PolarHBondContact ND1-N 3.38Å; H543-T545 PolarHBondContact ND1-OG1 3.03Å; H543-T545 PolarHBondContact O-N 2.94Å; H543-A546 HydrophobicContact CB-CB 4.25Å; H543-A546 WeakPolarHBondContact O-CB 3.49Å; H543-A546 PolarHBondContact O-N 3.25Å
544	P	94.3	Very high	96.3	Very high	38 Å²	38	52.1 Å²	52.1	25%	0.247	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-36.8	-174.4	-34.3	38.2	0	0	0	115.5	L568 R570	P544-L568 WeakPolarHBondContact CA-O 3.43Å; P544-L568 VanDerWaalsContact CB-O 3.29Å; P544-L568 WeakPolarHBondContact CB-O 3.23Å; P544-L568 HydrophobicContact CG-CB 4.19Å; P544-R570 WeakPolarHBondContact O-CB 3.48Å; P544-R570 PolarHBondContact O-N 3.26Å
545	T	94.8	Very high	96.2	Very high	26 Å²	26	55 Å²	55	16%	0.16	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	18.6	-179.3	57.5	0	0	0	0	113.9	H543 F547 E548	H543-T545 PolarHBondContact CE1-OG1 2.83Å; H543-T545 PolarHBondContact ND1-N 3.38Å; H543-T545 PolarHBondContact ND1-OG1 3.03Å; H543-T545 PolarHBondContact O-N 2.94Å; T545-F547 VanDerWaalsContact C-N 3.26Å; T545-F547 PolarHBondContact O-N 3.24Å; T545-E548 WeakPolarHBondContact CB-OE2 3.4Å; T545-E548 WeakPolarHBondContact CG2-OE2 3.44Å; T545-E548 PolarHBondContact O-N 3.3Å
546	A	95.6	Very high	96.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.008	24%	0.239	C	C	.	.	S	Bend	trans	-54	-40.5	-178.3	0	0	0	0	0	113.5	V519 Q520 V542 H543	V519-A546 HydrophobicContact CG1-CB 3.94Å; Q520-A546 WeakPolarHBondContact O-CA 3.5Å; Q520-A546 WeakPolarHBondContact O-CB 2.84Å; V542-A546 HydrophobicContact CG1-CB 4.06Å; H543-A546 HydrophobicContact CB-CB 4.25Å; H543-A546 WeakPolarHBondContact O-CB 3.49Å; H543-A546 PolarHBondContact O-N 3.25Å
547	F	95.9	Very high	96.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-107.3	-3.6	-175	-50.7	-54.9	0	0	0	114	V519 L532 L534 V542 T545 Q549 L550 L556 L558 V569 F571	V519-F547 HydrophobicContact CB-CZ 4.44Å; V519-F547 HydrophobicContact CG1-CE1 3.8Å; V519-F547 HydrophobicContact CG1-CZ 3.95Å; L532-F547 HydrophobicContact CD2-CD1 4.07Å; L532-F547 HydrophobicContact CD2-CE1 3.74Å; L534-F547 HydrophobicContact CD1-CE1 4.16Å; L534-F547 HydrophobicContact CD1-CZ 4.2Å; V542-F547 HydrophobicContact CG1-CD2 4.34Å; V542-F547 HydrophobicContact CG1-CE2 3.59Å; V542-F547 HydrophobicContact CG1-CZ 4.07Å; T545-F547 VanDerWaalsContact C-N 3.26Å; T545-F547 PolarHBondContact O-N 3.24Å; F547-Q549 PolarHBondContact O-N 2.94Å; F547-Q549 VanDerWaalsContact O-N 3.11Å; F547-L550 HydrophobicContact CB-CD1 4.25Å; F547-L550 HydrophobicContact CD1-CD1 3.89Å; F547-L550 WeakPolarHBondContact O-CB 3.44Å; F547-L550 PolarHBondContact O-N 2.79Å; F547-L556 HydrophobicContact CD2-CD2 4.02Å; F547-L556 HydrophobicContact CE1-CD1 4.43Å; F547-L556 HydrophobicContact CE2-CD2 4Å; F547-L556 HydrophobicContact CG-CD2 4.41Å; F547-L556 HydrophobicContact CZ-CD1 4.4Å; F547-L556 HydrophobicContact CZ-CD2 4.38Å; F547-L558 HydrophobicContact CE2-CD1 4.2Å; F547-L558 HydrophobicContact CZ-CD1 4.46Å; F547-L558 HydrophobicContact CZ-CD2 4.32Å; F547-V569 HydrophobicContact CD2-CG1 3.93Å; F547-V569 HydrophobicContact CE2-CG1 4.18Å; F547-F571 HydrophobicContact CD2-CD1 4.23Å; F547-F571 HydrophobicContact CD2-CE1 4.29Å; F547-F571 HydrophobicContact CE2-CE1 4.39Å
548	E	92.9	Very high	96.2	Very high	57 Å²	57	50.2 Å²	50.2	27%	0.266	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.9	-169.9	-173.8	-177.1	-133.9	0	0	113.1	T545 R570	T545-E548 WeakPolarHBondContact CB-OE2 3.4Å; T545-E548 WeakPolarHBondContact CG2-OE2 3.44Å; T545-E548 PolarHBondContact O-N 3.3Å; E548-R570 WeakPolarHBondContact OE1-CD 3.17Å; E548-R570 IonicContact OE1-CZ 4Å; E548-R570 IonicContact OE1-NH1 2.99Å; E548-R570 PolarHBondContact OE1-NH1 2.92Å
549	Q	94.4	Very high	96.3	Very high	32 Å²	32	44.3 Å²	44.3	15%	0.15	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.8	-179.4	-57.8	-56.3	-48.4	0	0	113.8	R524 F547 R551	R524-Q549 HydrophobicContact CG-CB 3.96Å; R524-Q549 HydrophobicContact CG-CG 3.4Å; R524-Q549 VanDerWaalsContact CG-CG 3.4Å; R524-Q549 WeakPolarHBondContact O-CB 3.11Å; F547-Q549 PolarHBondContact O-N 2.94Å; F547-Q549 VanDerWaalsContact O-N 3.11Å; Q549-R551 PolarHBondContact O-N 2.99Å
550	L	96.3	Very high	96.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	22%	0.223	C	C	.	.			trans	-81.3	56.1	-179.8	-52.7	-179.9	0	0	0	110.6	L523 N526 L529 L532 F547 R552 L553 P572	L523-L550 HydrophobicContact CB-CD1 4.5Å; L523-L550 HydrophobicContact CB-CD2 4.45Å; L523-L550 WeakPolarHBondContact O-CD2 2.87Å; N526-L550 HydrophobicContact CB-CD2 4.32Å; N526-L550 WeakPolarHBondContact O-CD2 3.37Å; L529-L550 HydrophobicContact CB-CD2 4.26Å; L529-L550 HydrophobicContact CD2-CD1 4.13Å; L529-L550 HydrophobicContact CD2-CD2 4.35Å; L532-L550 HydrophobicContact CD2-CD1 4.19Å; F547-L550 HydrophobicContact CB-CD1 4.25Å; F547-L550 HydrophobicContact CD1-CD1 3.89Å; F547-L550 WeakPolarHBondContact O-CB 3.44Å; F547-L550 PolarHBondContact O-N 2.79Å; L550-R552 PolarHBondContact O-N 3.4Å; L550-L553 HydrophobicContact CB-CB 3.93Å; L550-L553 HydrophobicContact CB-CD2 4.32Å; L550-L553 HydrophobicContact CD1-CD2 4.06Å; L550-L553 WeakPolarHBondContact O-CB 3.28Å; L550-L553 PolarHBondContact O-N 3.05Å; L550-P572 WeakPolarHBondContact O-CB 3.47Å
551	R	94	Very high	96.4	Very high	167 Å²	167	46.8 Å²	46.8	63%	0.63	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.8	-171.2	-63	-173.8	179.7	-174.1	-0.9	114.9	Q549 R574	Q549-R551 PolarHBondContact O-N 2.99Å; R551-R574 WeakPolarHBondContact O-CD 3.34Å
552	R	95.9	Very high	96.4	Very high	134 Å²	134	44 Å²	44	51%	0.506	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-2.7	175.3	-67.8	-171.4	175.4	-168.8	-3.2	113.2	L529 T530 L550 R554	L529-R552 CarbonylContact O-C 3.41Å; T530-R552 HydrophobicContact CG2-CB 4.38Å; L550-R552 PolarHBondContact O-N 3.4Å; R552-R554 PolarHBondContact O-N 3.06Å
553	L	97.6	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	19%	0.194	C	C	.	.			trans	-66.5	125.9	-176.8	-162.6	72.9	0	0	0	110.2	L529 L532 L550 L556 P572 R574 L575	L529-L553 HydrophobicContact CB-CD1 4.45Å; L529-L553 HydrophobicContact CD2-CD1 4.06Å; L529-L553 HydrophobicContact CG-CD1 4.11Å; L529-L553 WeakPolarHBondContact O-CA 3.37Å; L529-L553 PolarHBondContact O-N 2.79Å; L529-L553 VanDerWaalsContact O-N 3.08Å; L532-L553 HydrophobicContact CB-CD1 3.79Å; L550-L553 HydrophobicContact CB-CB 3.93Å; L550-L553 HydrophobicContact CB-CD2 4.32Å; L550-L553 HydrophobicContact CD1-CD2 4.06Å; L550-L553 WeakPolarHBondContact O-CB 3.28Å; L550-L553 PolarHBondContact O-N 3.05Å; L553-L556 HydrophobicContact CD2-CB 4.08Å; L553-L556 HydrophobicContact CD2-CD1 4.43Å; L553-L556 HydrophobicContact CD2-CD2 4.42Å; L553-P572 HydrophobicContact CB-CG 3.87Å; L553-P572 HydrophobicContact CD2-CG 3.94Å; L553-P572 HydrophobicContact CG-CG 4.49Å; L553-R574 CarbonylContact O-C 3.56Å; L553-L575 HydrophobicContact CD2-CD1 4.3Å; L553-L575 PolarHBondContact O-N 3.02Å
554	R	96.3	Very high	96.2	Very high	119 Å²	119	42.9 Å²	42.9	45%	0.449	20%	0.197	S	C	.	.			trans	-111.5	-38.4	177.6	-68.6	-178.8	175.6	176.9	-0.4	111.2	T530 R552 E576 Y577	T530-R554 PolarHBondContact O-N 3.14Å; R552-R554 PolarHBondContact O-N 3.06Å; R554-E576 HydrophobicContact CB-CB 4.31Å; R554-E576 HydrophobicContact CB-CG 4.43Å; R554-E576 VanDerWaalsContact CD-OE1 3.29Å; R554-E576 WeakPolarHBondContact CD-OE1 3.41Å; R554-E576 IonicContact CZ-OE1 3.03Å; R554-E576 IonicContact NE-OE1 3.36Å; R554-E576 PolarHBondContact NE-OE1 3.05Å; R554-E576 WeakPolarHBondContact O-CA 3.45Å; R554-E576 PolarHBondContact O-N 3.07Å; R554-Y577 PolarHBondContact O-N 3.27Å
555	H	98	Very high	96	Very high	62 Å²	62	45.8 Å²	45.8	29%	0.287	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.5	-177.9	-58.9	79	0	0	0	110.5	T530 E531 L532	T530-H555 PolarHBondContact O-N 3.35Å; T530-H555 VanDerWaalsContact O-N 3.15Å; E531-H555 WeakPolarHBondContact CA-O 3.43Å; E531-H555 HydrophobicContact CB-CB 4.41Å; E531-H555 HydrophobicContact CG-CB 4.06Å; L532-H555 PolarHBondContact N-O 2.97Å
556	L	98.2	Very high	95.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.1	173.8	177.8	57.7	0	0	0	109.6	L532 F547 L553 L558 F571 L575 Y577 L578 G579	L532-L556 HydrophobicContact CB-CD1 4.05Å; L532-L556 HydrophobicContact CD2-CD1 3.85Å; L532-L556 HydrophobicContact CG-CD1 3.96Å; L532-L556 WeakPolarHBondContact O-CA 3.49Å; F547-L556 HydrophobicContact CD2-CD2 4.02Å; F547-L556 HydrophobicContact CE1-CD1 4.43Å; F547-L556 HydrophobicContact CE2-CD2 4Å; F547-L556 HydrophobicContact CG-CD2 4.41Å; F547-L556 HydrophobicContact CZ-CD1 4.4Å; F547-L556 HydrophobicContact CZ-CD2 4.38Å; L553-L556 HydrophobicContact CD2-CB 4.08Å; L553-L556 HydrophobicContact CD2-CD1 4.43Å; L553-L556 HydrophobicContact CD2-CD2 4.42Å; L556-L558 HydrophobicContact CD1-CG 4.22Å; L556-L558 HydrophobicContact CD2-CD1 4.06Å; L556-L558 HydrophobicContact CG-CD1 4.24Å; L556-L558 HydrophobicContact CG-CG 4.21Å; L556-F571 HydrophobicContact CD2-CD1 3.8Å; L556-F571 HydrophobicContact CD2-CE1 3.79Å; L556-L575 HydrophobicContact CB-CD1 3.82Å; L556-L575 HydrophobicContact CB-CD2 4.47Å; L556-L575 HydrophobicContact CB-CG 4.39Å; L556-L575 HydrophobicContact CD2-CD1 4.01Å; L556-Y577 PolarHBondContact N-O 3.01Å; L556-L578 HydrophobicContact CB-CD1 4.19Å; L556-L578 HydrophobicContact CD2-CD1 3.96Å; L556-L578 HydrophobicContact CG-CD1 4.06Å; L556-L578 WeakPolarHBondContact O-CA 2.97Å; L556-G579 PolarHBondContact O-N 2.91Å
557	N	98.5	Very high	95.2	Very high	36 Å²	36	44.9 Å²	44.9	19%	0.193	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.1	174.4	-166.9	-15.1	0	0	0	110.5	L532 L534 N535 G559 Y577	L532-N557 PolarHBondContact O-N 3.19Å; L532-N557 VanDerWaalsContact O-N 3.08Å; L534-N557 CarbonylContact C-O 3.55Å; L534-N557 WeakPolarHBondContact CA-O 3.44Å; L534-N557 PolarHBondContact N-O 3.18Å; N535-N557 HydrophobicContact CB-CB 4.47Å; N535-N557 WeakPolarHBondContact CB-OD1 3.26Å; N535-N557 PolarHBondContact N-O 3.34Å; N557-G559 PolarHBondContact OD1-N 2.99Å; N557-Y577 HydrophobicContact CB-CE1 4.15Å
558	L	98.1	Very high	94.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	24%	0.239	C	C	.	.			trans	-111.9	5.7	176.3	-74.9	166.2	0	0	0	111.9	L534 I539 F547 L556 N561 I563 F571 G579 L580 C583	L534-L558 HydrophobicContact CB-CD2 3.97Å; L534-L558 HydrophobicContact CD1-CD2 3.84Å; I539-L558 HydrophobicContact CD1-CD2 4.39Å; F547-L558 HydrophobicContact CE2-CD1 4.2Å; F547-L558 HydrophobicContact CZ-CD1 4.46Å; F547-L558 HydrophobicContact CZ-CD2 4.32Å; L556-L558 HydrophobicContact CD1-CG 4.22Å; L556-L558 HydrophobicContact CD2-CD1 4.06Å; L556-L558 HydrophobicContact CG-CD1 4.24Å; L556-L558 HydrophobicContact CG-CG 4.21Å; L558-N561 WeakPolarHBondContact O-CB 3.22Å; L558-N561 PolarHBondContact O-ND2 3.11Å; L558-I563 HydrophobicContact CB-CD1 4.02Å; L558-I563 HydrophobicContact CD1-CD1 4.41Å; L558-I563 HydrophobicContact CD2-CD1 4.39Å; L558-F571 HydrophobicContact CD1-CE1 4.24Å; L558-G579 CarbonylContact C-O 3.19Å; L558-G579 WeakPolarHBondContact CA-O 3.21Å; L558-G579 PolarHBondContact N-O 3.48Å; L558-L580 HydrophobicContact CB-CD2 4Å; L558-L580 HydrophobicContact CD1-CD2 4.18Å; L558-C583 PolarHBondContact O-SG 2.9Å; L558-C583 VanDerWaalsContact O-SG 3.36Å
559	G	98	Very high	94.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.228	C	C	.	.			trans	-57.6	157.6	-173.8	0	0	0	0	0	113.6	N535 N536 N557 N561 G579 T581	N535-G559 CarbonylContact C-O 3.55Å; N535-G559 WeakPolarHBondContact CA-O 3.06Å; N535-G559 WeakPolarHBondContact CB-O 3.16Å; N536-G559 PolarHBondContact N-O 2.82Å; N557-G559 PolarHBondContact OD1-N 2.99Å; G559-N561 PolarHBondContact O-ND2 3.14Å; G559-G579 PolarHBondContact N-O 2.92Å; G559-T581 CarbonylContact C-O 3.22Å; G559-T581 WeakPolarHBondContact CA-O 3.33Å
560	W	98.4	Very high	94.6	Very high	125 Å²	125	54 Å²	54	47%	0.473	25%	0.247	S	C	.	.	S	Bend	trans	56.5	51.9	-177.7	-60.9	81.1	0	0	0	112.6	N536 N537 T581 R582	N536-W560 VanDerWaalsContact CA-O 3.3Å; N536-W560 WeakPolarHBondContact CA-O 2.97Å; N536-W560 HydrophobicContact CB-CB 4.12Å; N536-W560 PolarHBondContact N-O 3.48Å; N537-W560 PolarHBondContact N-O 3.29Å; W560-T581 PolarHBondContact N-O 3.06Å; W560-R582 HydrophobicContact CD2-CB 4.2Å; W560-R582 HydrophobicContact CD2-CG 4.39Å; W560-R582 VanDerWaalsContact CE2-CD 3.5Å; W560-R582 HydrophobicContact CE3-CB 4.41Å; W560-R582 VanDerWaalsContact CE3-CD 3.45Å; W560-R582 HydrophobicContact CG-CB 4.31Å
561	N	98.5	Very high	94.5	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.011	25%	0.249	C	C	.	.			trans	-138.5	136.9	175.7	-82.8	-73.6	0	0	0	110.7	L534 N537 R538 I539 L558 G559 I563 R582 C583	L534-N561 PolarHBondContact O-ND2 2.93Å; N537-N561 WeakPolarHBondContact CA-OD1 3.48Å; N537-N561 WeakPolarHBondContact CB-OD1 3.37Å; N537-N561 PolarHBondContact N-OD1 3.48Å; N537-N561 PolarHBondContact O-OD1 2.98Å; R538-N561 PolarHBondContact N-OD1 3.06Å; I539-N561 HydrophobicContact CB-CB 4.05Å; I539-N561 VanDerWaalsContact CB-OD1 3.29Å; I539-N561 WeakPolarHBondContact CB-OD1 3.15Å; I539-N561 WeakPolarHBondContact CG1-OD1 3.4Å; I539-N561 PolarHBondContact N-OD1 2.69Å; L558-N561 WeakPolarHBondContact O-CB 3.22Å; L558-N561 PolarHBondContact O-ND2 3.11Å; G559-N561 PolarHBondContact O-ND2 3.14Å; N561-I563 HydrophobicContact CB-CD1 4.04Å; N561-I563 HydrophobicContact CB-CG1 3.78Å; N561-I563 PolarHBondContact O-N 3.31Å; N561-R582 PolarHBondContact N-O 3.07Å; N561-C583 CarbonylContact O-C 3.52Å; N561-C583 WeakPolarHBondContact O-CA 3.17Å
562	P	96.9	Very high	94.5	Very high	56 Å²	56	46.6 Å²	46.6	36%	0.364	22%	0.219	S	C	.	.			trans	-76.7	54.6	-178.3	34.5	-38.6	0	0	0	113.7	I539 S540 L584	I539-P562 CarbonylContact O-C 3.35Å; I539-P562 VanDerWaalsContact O-C 3.22Å; I539-P562 WeakPolarHBondContact O-CD 3.22Å; S540-P562 WeakPolarHBondContact CA-O 3.1Å; P562-L584 HydrophobicContact CB-CD1 3.64Å
563	I	95.2	Very high	94.2	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.062	22%	0.216	C	C	.	.			trans	-69.6	-44.5	-171.5	-62.3	176.7	0	0	0	111.8	I539 L558 N561 D565 I566 C583	I539-I563 HydrophobicContact CG2-CG1 4.26Å; I539-I563 WeakPolarHBondContact O-CG1 3.1Å; I539-I563 PolarHBondContact O-N 2.76Å; L558-I563 HydrophobicContact CB-CD1 4.02Å; L558-I563 HydrophobicContact CD1-CD1 4.41Å; L558-I563 HydrophobicContact CD2-CD1 4.39Å; N561-I563 HydrophobicContact CB-CD1 4.04Å; N561-I563 HydrophobicContact CB-CG1 3.78Å; N561-I563 PolarHBondContact O-N 3.31Å; I563-D565 VanDerWaalsContact CG2-O 3.28Å; I563-D565 WeakPolarHBondContact CG2-O 3.31Å; I563-D565 PolarHBondContact O-N 3.36Å; I563-I566 HydrophobicContact CG2-CG2 3.78Å; I563-C583 PolarHBondContact N-O 2.92Å
564	G	92.4	Very high	94	Very high	32 Å²	32	49.9 Å²	49.9	33%	0.33	24%	0.24	S	C	.	.			trans	75.7	-48	179.7	0	0	0	0	0	114.9	C583	G564-C583 PolarHBondContact N-O 3.01Å
565	D	89	Confident	93.9	Very high	99 Å²	99	44.2 Å²	44.2	53%	0.529	22%	0.219	S	C	.	.			trans	-143.7	137.5	-179.1	-174	13.8	0	0	0	112.8	I563 G567	I563-D565 VanDerWaalsContact CG2-O 3.28Å; I563-D565 WeakPolarHBondContact CG2-O 3.31Å; I563-D565 PolarHBondContact O-N 3.36Å; D565-G567 PolarHBondContact OD1-N 3.28Å
566	I	88.9	Confident	93.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.215	C	C	.	.			trans	-121.4	4.9	178.2	57.4	155.5	0	0	0	113.2	I563 L568 V569 F571 L580 L585 L593	I563-I566 HydrophobicContact CG2-CG2 3.78Å; I566-L568 VanDerWaalsContact C-N 3.25Å; I566-L568 PolarHBondContact O-N 2.89Å; I566-L568 VanDerWaalsContact O-N 3.13Å; I566-V569 HydrophobicContact CB-CG2 4.47Å; I566-V569 WeakPolarHBondContact O-CB 3.48Å; I566-V569 PolarHBondContact O-N 3.48Å; I566-F571 HydrophobicContact CB-CE2 4.44Å; I566-F571 HydrophobicContact CB-CZ 4.4Å; I566-F571 HydrophobicContact CD1-CE2 4.14Å; I566-F571 HydrophobicContact CD1-CZ 4.38Å; I566-L580 HydrophobicContact CD1-CD1 3.71Å; I566-L580 HydrophobicContact CG2-CD2 4.28Å; I566-L585 HydrophobicContact CG1-CD2 4.44Å; I566-L585 HydrophobicContact CG2-CD2 4.25Å; I566-L593 HydrophobicContact CD1-CD1 4.44Å; I566-L593 HydrophobicContact CD1-CD2 4.22Å; I566-L593 HydrophobicContact CD1-CG 4.39Å
567	G	84.9	Confident	93.5	Very high	7 Å²	7	45.4 Å²	45.4	7%	0.072	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.2	-168.9	0	0	0	0	0	115.5	D565 S592	D565-G567 PolarHBondContact OD1-N 3.28Å; G567-S592 PolarHBondContact O-OG 3.32Å
568	L	87.5	Confident	93.4	Very high	132 Å²	132	43.7 Å²	43.7	69%	0.691	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.8	178.8	-60.2	177.6	0	0	0	114.2	P544 I566 R570	P544-L568 WeakPolarHBondContact CA-O 3.43Å; P544-L568 VanDerWaalsContact CB-O 3.29Å; P544-L568 WeakPolarHBondContact CB-O 3.23Å; P544-L568 HydrophobicContact CG-CB 4.19Å; I566-L568 VanDerWaalsContact C-N 3.25Å; I566-L568 PolarHBondContact O-N 2.89Å; I566-L568 VanDerWaalsContact O-N 3.13Å; L568-R570 PolarHBondContact O-N 3.02Å
569	V	91.4	Very high	93.4	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.024	21%	0.213	C	C	.	.			trans	-82.6	113.8	-172.2	-177.8	0	0	0	0	111.2	V542 F547 I566 F571 S592	V542-V569 HydrophobicContact CB-CG2 3.87Å; V542-V569 HydrophobicContact CG1-CG1 3.85Å; V542-V569 HydrophobicContact CG1-CG2 3.76Å; F547-V569 HydrophobicContact CD2-CG1 3.93Å; F547-V569 HydrophobicContact CE2-CG1 4.18Å; I566-V569 HydrophobicContact CB-CG2 4.47Å; I566-V569 WeakPolarHBondContact O-CB 3.48Å; I566-V569 PolarHBondContact O-N 3.48Å; V569-F571 HydrophobicContact CB-CD2 4.45Å; V569-F571 HydrophobicContact CB-CE2 3.93Å; V569-F571 HydrophobicContact CB-CZ 4.03Å; V569-F571 HydrophobicContact CG1-CD1 4.15Å; V569-F571 HydrophobicContact CG1-CD2 4.27Å; V569-F571 HydrophobicContact CG1-CE1 3.84Å; V569-F571 HydrophobicContact CG1-CE2 3.96Å; V569-F571 HydrophobicContact CG1-CG 4.35Å; V569-F571 HydrophobicContact CG1-CZ 3.74Å; V569-F571 VanDerWaalsContact O-CD2 3.28Å; V569-F571 WeakPolarHBondContact O-CD2 2.92Å; V569-F571 PolarHBondContact O-N 2.84Å; V569-S592 PolarHBondContact N-OG 2.78Å; V569-S592 VanDerWaalsContact O-CB 3.26Å; V569-S592 WeakPolarHBondContact O-CB 3.38Å; V569-S592 PolarHBondContact O-OG 3.17Å
570	R	92.6	Very high	93.3	Very high	146 Å²	146	43.6 Å²	43.6	55%	0.551	21%	0.213	S	C	*	.			trans	-78.1	91.5	173.5	-60.7	-172.6	-175.7	171.7	-1.7	110.8	P544 E548 L568	P544-R570 WeakPolarHBondContact O-CB 3.48Å; P544-R570 PolarHBondContact O-N 3.26Å; E548-R570 WeakPolarHBondContact OE1-CD 3.17Å; E548-R570 IonicContact OE1-CZ 4Å; E548-R570 IonicContact OE1-NH1 2.99Å; E548-R570 PolarHBondContact OE1-NH1 2.92Å; L568-R570 PolarHBondContact O-N 3.02Å
571	F	93.7	Very high	93.2	Very high	9 Å²	9	38.4 Å²	38.4	4%	0.039	20%	0.195	C	C	.	.			trans	-69.4	146.8	172.9	-66.3	-74.1	0	0	0	111.6	F547 L556 L558 I566 V569 L575 L578 L593 L596	F547-F571 HydrophobicContact CD2-CD1 4.23Å; F547-F571 HydrophobicContact CD2-CE1 4.29Å; F547-F571 HydrophobicContact CE2-CE1 4.39Å; L556-F571 HydrophobicContact CD2-CD1 3.8Å; L556-F571 HydrophobicContact CD2-CE1 3.79Å; L558-F571 HydrophobicContact CD1-CE1 4.24Å; I566-F571 HydrophobicContact CB-CE2 4.44Å; I566-F571 HydrophobicContact CB-CZ 4.4Å; I566-F571 HydrophobicContact CD1-CE2 4.14Å; I566-F571 HydrophobicContact CD1-CZ 4.38Å; V569-F571 HydrophobicContact CB-CD2 4.45Å; V569-F571 HydrophobicContact CB-CE2 3.93Å; V569-F571 HydrophobicContact CB-CZ 4.03Å; V569-F571 HydrophobicContact CG1-CD1 4.15Å; V569-F571 HydrophobicContact CG1-CD2 4.27Å; V569-F571 HydrophobicContact CG1-CE1 3.84Å; V569-F571 HydrophobicContact CG1-CE2 3.96Å; V569-F571 HydrophobicContact CG1-CG 4.35Å; V569-F571 HydrophobicContact CG1-CZ 3.74Å; V569-F571 VanDerWaalsContact O-CD2 3.28Å; V569-F571 WeakPolarHBondContact O-CD2 2.92Å; V569-F571 PolarHBondContact O-N 2.84Å; F571-L575 HydrophobicContact CD1-CD1 4.44Å; F571-L578 HydrophobicContact CD1-CD1 4.43Å; F571-L578 HydrophobicContact CE1-CD1 4.01Å; F571-L578 HydrophobicContact CE1-CD2 4.33Å; F571-L578 HydrophobicContact CE2-CD2 4.46Å; F571-L578 HydrophobicContact CZ-CD2 4.27Å; F571-L593 HydrophobicContact CD2-CD2 4.11Å; F571-L593 HydrophobicContact CE2-CD2 4.03Å; F571-L596 HydrophobicContact CB-CD1 4.05Å; F571-L596 HydrophobicContact CB-CD2 3.54Å; F571-L596 HydrophobicContact CB-CG 4.24Å; F571-L596 HydrophobicContact CD2-CD1 4.47Å; F571-L596 HydrophobicContact CG-CD1 4.4Å
572	P	93.4	Very high	93.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	21%	0.214	C	C	.	.			trans	-72.8	143.9	179.9	28.7	-33.4	0	0	0	111.5	L550 L553 R574 L575 L596	L550-P572 WeakPolarHBondContact O-CB 3.47Å; L553-P572 HydrophobicContact CB-CG 3.87Å; L553-P572 HydrophobicContact CD2-CG 3.94Å; L553-P572 HydrophobicContact CG-CG 4.49Å; P572-R574 VanDerWaalsContact C-N 3.28Å; P572-R574 PolarHBondContact O-N 2.89Å; P572-R574 VanDerWaalsContact O-N 3.15Å; P572-L575 HydrophobicContact CG-CD1 3.89Å; P572-L575 WeakPolarHBondContact O-CB 3.11Å; P572-L575 PolarHBondContact O-N 2.8Å; P572-L596 VanDerWaalsContact O-CD2 3.25Å; P572-L596 WeakPolarHBondContact O-CD2 3.36Å
573	P	90.6	Very high	93.2	Very high	67 Å²	67	40.6 Å²	40.6	44%	0.435	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-15.9	-167.1	27	-36.4	0	0	0	115.3	L575	P573-L575 VanDerWaalsContact C-N 3.33Å
574	R	92.6	Very high	93.2	Very high	136 Å²	136	45.3 Å²	45.3	51%	0.513	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4.4	-178.2	-70.2	-163.4	176.8	175.9	-5.1	114.3	R551 L553 P572 E576	R551-R574 WeakPolarHBondContact O-CD 3.34Å; L553-R574 CarbonylContact O-C 3.56Å; P572-R574 VanDerWaalsContact C-N 3.28Å; P572-R574 PolarHBondContact O-N 2.89Å; P572-R574 VanDerWaalsContact O-N 3.15Å; R574-E576 PolarHBondContact O-N 2.81Å
575	L	94.9	Very high	93.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.205	C	C	.	.			trans	-64.3	129.8	-176	-149.5	143.2	0	0	0	109.9	L553 L556 F571 P572 P573 Y577 L578 L596 N598 L599	L553-L575 HydrophobicContact CD2-CD1 4.3Å; L553-L575 PolarHBondContact O-N 3.02Å; L556-L575 HydrophobicContact CB-CD1 3.82Å; L556-L575 HydrophobicContact CB-CD2 4.47Å; L556-L575 HydrophobicContact CB-CG 4.39Å; L556-L575 HydrophobicContact CD2-CD1 4.01Å; F571-L575 HydrophobicContact CD1-CD1 4.44Å; P572-L575 HydrophobicContact CG-CD1 3.89Å; P572-L575 WeakPolarHBondContact O-CB 3.11Å; P572-L575 PolarHBondContact O-N 2.8Å; P573-L575 VanDerWaalsContact C-N 3.33Å; L575-Y577 VanDerWaalsContact CD2-C 3.41Å; L575-Y577 WeakPolarHBondContact CD2-O 3.23Å; L575-L578 HydrophobicContact CD2-CB 3.61Å; L575-L578 HydrophobicContact CD2-CD1 4.34Å; L575-L578 HydrophobicContact CD2-CG 4.43Å; L575-L596 HydrophobicContact CB-CD2 4.22Å; L575-N598 CarbonylContact O-C 3.5Å; L575-N598 WeakPolarHBondContact O-CB 3.19Å; L575-L599 HydrophobicContact CD2-CD1 3.54Å; L575-L599 VanDerWaalsContact O-CA 3.23Å; L575-L599 WeakPolarHBondContact O-CA 3.06Å; L575-L599 PolarHBondContact O-N 2.97Å
576	E	93.4	Very high	93.3	Very high	43 Å²	43	46.8 Å²	46.8	20%	0.201	21%	0.214	C	C	.	.			trans	-108.1	-37.7	-174	-82.9	168.4	-153.3	0	0	110.7	R554 R574 Y600 H601	R554-E576 HydrophobicContact CB-CB 4.31Å; R554-E576 HydrophobicContact CB-CG 4.43Å; R554-E576 VanDerWaalsContact CD-OE1 3.29Å; R554-E576 WeakPolarHBondContact CD-OE1 3.41Å; R554-E576 IonicContact CZ-OE1 3.03Å; R554-E576 IonicContact NE-OE1 3.36Å; R554-E576 PolarHBondContact NE-OE1 3.05Å; R554-E576 WeakPolarHBondContact O-CA 3.45Å; R554-E576 PolarHBondContact O-N 3.07Å; R574-E576 PolarHBondContact O-N 2.81Å; E576-Y600 HydrophobicContact CB-CD1 3.98Å; E576-Y600 HydrophobicContact CB-CE1 3.63Å; E576-Y600 HydrophobicContact CG-CD1 4.27Å; E576-Y600 HydrophobicContact CG-CE1 4.08Å; E576-Y600 WeakPolarHBondContact O-CD1 3.44Å; E576-Y600 PolarHBondContact O-N 2.89Å; E576-H601 PolarHBondContact O-N 3.32Å
577	Y	95.3	Very high	93.1	Very high	44 Å²	44	51.4 Å²	51.4	17%	0.173	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.7	176	170.2	-90.9	0	0	0	111.5	R554 L556 N557 L575 H601	R554-Y577 PolarHBondContact O-N 3.27Å; L556-Y577 PolarHBondContact N-O 3.01Å; N557-Y577 HydrophobicContact CB-CE1 4.15Å; L575-Y577 VanDerWaalsContact CD2-C 3.41Å; L575-Y577 WeakPolarHBondContact CD2-O 3.23Å; Y577-H601 WeakPolarHBondContact CA-O 3.16Å; Y577-H601 HydrophobicContact CD2-CB 3.95Å; Y577-H601 AromaticContact CD2-CD2 3.83Å; Y577-H601 AromaticContact CD2-CG 3.6Å; Y577-H601 AromaticContact CD2-ND1 3.78Å; Y577-H601 AromaticContact CE2-CD2 3.79Å; Y577-H601 AromaticContact CE2-CE1 3.88Å; Y577-H601 AromaticContact CE2-CG 3.99Å; Y577-H601 AromaticContact CE2-NE2 3.73Å
578	L	96.6	Very high	92.7	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	111.6	172.3	-176.1	54.8	0	0	0	110.5	L556 F571 L575 L580 L593 L596 L599 H601 L602 D603	L556-L578 HydrophobicContact CB-CD1 4.19Å; L556-L578 HydrophobicContact CD2-CD1 3.96Å; L556-L578 HydrophobicContact CG-CD1 4.06Å; L556-L578 WeakPolarHBondContact O-CA 2.97Å; F571-L578 HydrophobicContact CD1-CD1 4.43Å; F571-L578 HydrophobicContact CE1-CD1 4.01Å; F571-L578 HydrophobicContact CE1-CD2 4.33Å; F571-L578 HydrophobicContact CE2-CD2 4.46Å; F571-L578 HydrophobicContact CZ-CD2 4.27Å; L575-L578 HydrophobicContact CD2-CB 3.61Å; L575-L578 HydrophobicContact CD2-CD1 4.34Å; L575-L578 HydrophobicContact CD2-CG 4.43Å; L578-L580 HydrophobicContact CD1-CD1 4.49Å; L578-L580 HydrophobicContact CD1-CG 4.29Å; L578-L580 HydrophobicContact CD2-CD1 3.82Å; L578-L580 HydrophobicContact CD2-CG 4.46Å; L578-L580 HydrophobicContact CG-CD1 3.9Å; L578-L580 HydrophobicContact CG-CG 4.03Å; L578-L593 HydrophobicContact CD2-CD2 3.57Å; L578-L596 HydrophobicContact CD2-CD1 4.32Å; L578-L599 HydrophobicContact CB-CD1 3.64Å; L578-L599 HydrophobicContact CB-CD2 4.42Å; L578-H601 PolarHBondContact N-O 3.08Å; L578-L602 HydrophobicContact CB-CD1 3.94Å; L578-L602 HydrophobicContact CD2-CD1 4.01Å; L578-L602 HydrophobicContact CG-CD1 4.02Å; L578-D603 PolarHBondContact O-N 2.81Å
579	G	96.8	Very high	91.8	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.2	174.8	0	0	0	0	0	111.8	L556 L558 G559	L556-G579 PolarHBondContact O-N 2.91Å; L558-G579 CarbonylContact C-O 3.19Å; L558-G579 WeakPolarHBondContact CA-O 3.21Å; L558-G579 PolarHBondContact N-O 3.48Å; G559-G579 PolarHBondContact N-O 2.92Å
580	L	96.4	Very high	90.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.231	C	C	.	.			trans	-130.2	22.9	177.4	-70.6	166.8	0	0	0	111.6	L558 I566 L578 R582 C583 L585 L602 D603 L604 N607	L558-L580 HydrophobicContact CB-CD2 4Å; L558-L580 HydrophobicContact CD1-CD2 4.18Å; I566-L580 HydrophobicContact CD1-CD1 3.71Å; I566-L580 HydrophobicContact CG2-CD2 4.28Å; L578-L580 HydrophobicContact CD1-CD1 4.49Å; L578-L580 HydrophobicContact CD1-CG 4.29Å; L578-L580 HydrophobicContact CD2-CD1 3.82Å; L578-L580 HydrophobicContact CD2-CG 4.46Å; L578-L580 HydrophobicContact CG-CD1 3.9Å; L578-L580 HydrophobicContact CG-CG 4.03Å; L580-R582 PolarHBondContact O-N 3.19Å; L580-C583 VanDerWaalsContact C-SG 3.51Å; L580-C583 VanDerWaalsContact O-CB 3.31Å; L580-C583 WeakPolarHBondContact O-CB 3.46Å; L580-C583 PolarHBondContact O-SG 3.24Å; L580-L585 HydrophobicContact CB-CD1 4.08Å; L580-L585 HydrophobicContact CD1-CD1 4.22Å; L580-L602 HydrophobicContact CD1-CD1 4.29Å; L580-D603 CarbonylContact C-O 3.36Å; L580-D603 VanDerWaalsContact C-O 3.27Å; L580-D603 VanDerWaalsContact CA-O 3.26Å; L580-D603 WeakPolarHBondContact CA-O 3.23Å; L580-D603 WeakPolarHBondContact CB-O 3.44Å; L580-D603 PolarHBondContact N-O 2.97Å; L580-L604 HydrophobicContact CB-CD2 3.91Å; L580-L604 HydrophobicContact CD1-CD2 3.97Å; L580-N607 PolarHBondContact O-ND2 3.1Å
581	T	97.1	Very high	89.5	Confident	15 Å²	15	47.4 Å²	47.4	9%	0.092	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	139.7	173.7	-176.9	0	0	0	0	111	G559 W560 C583 D603 S605	G559-T581 CarbonylContact C-O 3.22Å; G559-T581 WeakPolarHBondContact CA-O 3.33Å; W560-T581 PolarHBondContact N-O 3.06Å; T581-C583 VanDerWaalsContact C-N 3.29Å; T581-C583 PolarHBondContact O-N 3.23Å; T581-C583 PolarHBondContact O-SG 2.83Å; T581-D603 WeakPolarHBondContact CB-OD2 3.33Å; T581-D603 PolarHBondContact N-O 3.12Å; T581-S605 CarbonylContact C-O 3.4Å; T581-S605 WeakPolarHBondContact CA-O 3.36Å; T581-S605 WeakPolarHBondContact CB-OG 2.94Å; T581-S605 PolarHBondContact OG1-O 2.92Å; T581-S605 PolarHBondContact OG1-OG 3.31Å
582	R	97.8	Very high	88.6	Confident	105 Å²	105	47.4 Å²	47.4	40%	0.396	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	47.1	176.7	-65.1	-174.2	171.3	-114.9	-0.9	114.1	W560 N561 L580 S605 Y606	W560-R582 HydrophobicContact CD2-CB 4.2Å; W560-R582 HydrophobicContact CD2-CG 4.39Å; W560-R582 VanDerWaalsContact CE2-CD 3.5Å; W560-R582 HydrophobicContact CE3-CB 4.41Å; W560-R582 VanDerWaalsContact CE3-CD 3.45Å; W560-R582 HydrophobicContact CG-CB 4.31Å; N561-R582 PolarHBondContact N-O 3.07Å; L580-R582 PolarHBondContact O-N 3.19Å; R582-S605 PolarHBondContact N-O 3.49Å; R582-Y606 WeakPolarHBondContact CA-O 3.23Å; R582-Y606 HydrophobicContact CG-CG 4.24Å
583	C	96.9	Very high	88.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-97.8	4.5	179.1	-73.6	0	0	0	0	115.1	L558 N561 I563 G564 L580 T581 L585 N607	L558-C583 PolarHBondContact O-SG 2.9Å; L558-C583 VanDerWaalsContact O-SG 3.36Å; N561-C583 CarbonylContact O-C 3.52Å; N561-C583 WeakPolarHBondContact O-CA 3.17Å; I563-C583 PolarHBondContact N-O 2.92Å; G564-C583 PolarHBondContact N-O 3.01Å; L580-C583 VanDerWaalsContact C-SG 3.51Å; L580-C583 VanDerWaalsContact O-CB 3.31Å; L580-C583 WeakPolarHBondContact O-CB 3.46Å; L580-C583 PolarHBondContact O-SG 3.24Å; T581-C583 VanDerWaalsContact C-N 3.29Å; T581-C583 PolarHBondContact O-N 3.23Å; T581-C583 PolarHBondContact O-SG 2.83Å; C583-L585 HydrophobicContact CB-CD1 4.12Å; C583-L585 HydrophobicContact CB-CD2 4.27Å; C583-L585 HydrophobicContact CB-CG 3.77Å; C583-L585 PolarHBondContact O-N 2.81Å; C583-N607 VanDerWaalsContact CA-OD1 3.26Å; C583-N607 WeakPolarHBondContact CA-OD1 3.3Å; C583-N607 PolarHBondContact N-OD1 3Å
584	L	95.3	Very high	87.7	Confident	111 Å²	111	46.6 Å²	46.6	58%	0.581	24%	0.235	S	C	*	.			trans	59.4	22.4	-171.9	-56.2	178.3	0	0	0	114.2	P562 K586 N607	P562-L584 HydrophobicContact CB-CD1 3.64Å; L584-K586 PolarHBondContact O-N 3.36Å; L584-N607 PolarHBondContact N-OD1 3.47Å
585	L	92.9	Very high	87.2	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.			trans	-67.3	125	-178.5	-58	176.4	0	0	0	109.8	I566 L580 C583 L604 N607 G608 L609	I566-L585 HydrophobicContact CG1-CD2 4.44Å; I566-L585 HydrophobicContact CG2-CD2 4.25Å; L580-L585 HydrophobicContact CB-CD1 4.08Å; L580-L585 HydrophobicContact CD1-CD1 4.22Å; C583-L585 HydrophobicContact CB-CD1 4.12Å; C583-L585 HydrophobicContact CB-CD2 4.27Å; C583-L585 HydrophobicContact CB-CG 3.77Å; C583-L585 PolarHBondContact O-N 2.81Å; L585-L604 HydrophobicContact CD1-CD2 3.71Å; L585-N607 HydrophobicContact CB-CB 4.16Å; L585-N607 PolarHBondContact N-OD1 3.42Å; L585-G608 CarbonylContact O-C 3.45Å; L585-G608 VanDerWaalsContact O-C 3.27Å; L585-G608 VanDerWaalsContact O-CA 3.26Å; L585-G608 WeakPolarHBondContact O-CA 3.15Å; L585-G608 PolarHBondContact O-N 2.82Å; L585-L609 HydrophobicContact CB-CD2 4.14Å; L585-L609 PolarHBondContact O-N 2.75Å
586	K	89.9	Confident	87	Confident	162 Å²	162	43 Å²	43	70%	0.704	23%	0.231	S	C	*	.	S	Bend	trans	-96	-28.6	173.4	-66.6	-178.3	-178.4	176.4	0	112.4	L584	L584-K586 PolarHBondContact O-N 3.36Å
587	V	84.3	Confident	86.7	Confident	97 Å²	97	45.2 Å²	45.2	59%	0.588	25%	0.248	S	C	*	.			trans	-138.4	148.2	178.4	-176.8	0	0	0	0	106.8
588	V	78.3	Confident	86.4	Confident	20 Å²	20	45.7 Å²	45.7	12%	0.121	25%	0.253	C	S	.	.			trans	-103.3	101.8	166.7	-178.4	0	0	0	0	106.7	L593 L604 L609	V588-L593 HydrophobicContact CG1-CD1 3.31Å; V588-L593 HydrophobicContact CG1-CG 4.36Å; V588-L604 HydrophobicContact CG2-CD1 3.8Å; V588-L604 HydrophobicContact CG2-CD2 4.09Å; V588-L609 HydrophobicContact CG2-CD1 3.96Å; V588-L609 HydrophobicContact CG2-CD2 3.75Å
589	D	68.8	Low	86.2	Confident	68 Å²	68	45.7 Å²	45.7	36%	0.364	25%	0.253	S	S	.	.			trans	-77	129.3	173.2	-174.1	17.3	0	0	0	109.7
590	S	62.2	Low	85.9	Confident	11 Å²	11	48.5 Å²	48.5	8%	0.077	26%	0.264	C	S	.	.	S	Bend	trans	-98.6	-19.9	-150.8	46.1	0	0	0	0	114.3	S592 L593 A594 S618 G619	S590-S592 PolarHBondContact O-N 3.42Å; S590-L593 PolarHBondContact O-N 2.75Å; S590-L593 VanDerWaalsContact O-N 3.12Å; S590-A594 VanDerWaalsContact O-CB 3.22Å; S590-A594 WeakPolarHBondContact O-CB 3.41Å; S590-A594 PolarHBondContact O-N 3.19Å; S590-S618 WeakPolarHBondContact CB-O 3.45Å; S590-S618 WeakPolarHBondContact OG-CA 3.37Å; S590-S618 WeakPolarHBondContact OG-CB 3.29Å; S590-S618 PolarHBondContact OG-O 3.26Å; S590-G619 WeakPolarHBondContact CB-O 3.44Å
591	V	71.6	Confident	85.6	Confident	107 Å²	107	50.7 Å²	50.7	65%	0.648	27%	0.274	S	S	*	.	H	α-helix	trans	-56.3	-37.2	177.8	-178.4	0	0	0	0	110.7
592	S	75.4	Confident	85.5	Confident	9 Å²	9	50 Å²	50	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-72	-39.7	178.7	-74.9	0	0	0	0	113.5	G567 V569 S590 S595	G567-S592 PolarHBondContact O-OG 3.32Å; V569-S592 PolarHBondContact N-OG 2.78Å; V569-S592 VanDerWaalsContact O-CB 3.26Å; V569-S592 WeakPolarHBondContact O-CB 3.38Å; V569-S592 PolarHBondContact O-OG 3.17Å; S590-S592 PolarHBondContact O-N 3.42Å; S592-S595 PolarHBondContact O-OG 3Å; S592-S595 VanDerWaalsContact O-OG 3.07Å
593	L	85.8	Confident	85.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-86	-31.2	-177.2	-62.1	-173.9	0	0	0	113.8	I566 F571 L578 V588 S590 S595 L596 L602 L620	I566-L593 HydrophobicContact CD1-CD1 4.44Å; I566-L593 HydrophobicContact CD1-CD2 4.22Å; I566-L593 HydrophobicContact CD1-CG 4.39Å; F571-L593 HydrophobicContact CD2-CD2 4.11Å; F571-L593 HydrophobicContact CE2-CD2 4.03Å; L578-L593 HydrophobicContact CD2-CD2 3.57Å; V588-L593 HydrophobicContact CG1-CD1 3.31Å; V588-L593 HydrophobicContact CG1-CG 4.36Å; S590-L593 PolarHBondContact O-N 2.75Å; S590-L593 VanDerWaalsContact O-N 3.12Å; L593-S595 PolarHBondContact O-N 3.32Å; L593-L596 HydrophobicContact CD2-CD1 3.76Å; L593-L596 WeakPolarHBondContact O-CB 3.09Å; L593-L596 PolarHBondContact O-N 3.47Å; L593-L602 HydrophobicContact CD1-CD2 4.11Å; L593-L620 HydrophobicContact CD1-CD2 4.2Å
594	A	79.9	Confident	85.2	Confident	50 Å²	50	45.9 Å²	45.9	41%	0.413	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-29.1	-179.2	0	0	0	0	0	112.5	S590 L596	S590-A594 VanDerWaalsContact O-CB 3.22Å; S590-A594 WeakPolarHBondContact O-CB 3.41Å; S590-A594 PolarHBondContact O-N 3.19Å; A594-L596 PolarHBondContact O-N 3.13Å
595	S	81.7	Confident	85.2	Confident	60 Å²	60	40.9 Å²	40.9	42%	0.42	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.8	176.9	72.9	0	0	0	0	114.4	S592 L593 T597	S592-S595 PolarHBondContact O-OG 3Å; S592-S595 VanDerWaalsContact O-OG 3.07Å; L593-S595 PolarHBondContact O-N 3.32Å; S595-T597 VanDerWaalsContact C-N 3.33Å; S595-T597 PolarHBondContact O-N 2.97Å
596	L	90.3	Very high	85.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.			trans	-83.5	76.8	-173.8	-59.7	174.1	0	0	0	111.7	F571 P572 L575 L578 L593 A594 N598 L599 P621 S623	F571-L596 HydrophobicContact CB-CD1 4.05Å; F571-L596 HydrophobicContact CB-CD2 3.54Å; F571-L596 HydrophobicContact CB-CG 4.24Å; F571-L596 HydrophobicContact CD2-CD1 4.47Å; F571-L596 HydrophobicContact CG-CD1 4.4Å; P572-L596 VanDerWaalsContact O-CD2 3.25Å; P572-L596 WeakPolarHBondContact O-CD2 3.36Å; L575-L596 HydrophobicContact CB-CD2 4.22Å; L578-L596 HydrophobicContact CD2-CD1 4.32Å; L593-L596 HydrophobicContact CD2-CD1 3.76Å; L593-L596 WeakPolarHBondContact O-CB 3.09Å; L593-L596 PolarHBondContact O-N 3.47Å; A594-L596 PolarHBondContact O-N 3.13Å; L596-N598 PolarHBondContact O-N 2.79Å; L596-L599 HydrophobicContact CB-CB 3.87Å; L596-L599 HydrophobicContact CD1-CD2 4.04Å; L596-L599 PolarHBondContact O-N 2.91Å; L596-P621 WeakPolarHBondContact O-CB 3.44Å; L596-S623 PolarHBondContact O-OG 2.83Å
597	T	87.5	Confident	85.7	Confident	91 Å²	91	38.2 Å²	38.2	56%	0.558	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-7	-176.4	62.8	0	0	0	0	114.3	R30 S595 S623	R30-T597 PolarHBondContact NH1-O 2.95Å; S595-T597 VanDerWaalsContact C-N 3.33Å; S595-T597 PolarHBondContact O-N 2.97Å; T597-S623 WeakPolarHBondContact O-CB 3.19Å
598	N	90	Very high	86.1	Confident	54 Å²	54	34.9 Å²	34.9	29%	0.289	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-7	-179.9	-79.8	5.1	0	0	0	114.8	R30 L575 L596 Y600	R30-N598 PolarHBondContact NH2-O 2.93Å; L575-N598 CarbonylContact O-C 3.5Å; L575-N598 WeakPolarHBondContact O-CB 3.19Å; L596-N598 PolarHBondContact O-N 2.79Å; N598-Y600 PolarHBondContact O-N 3.34Å
599	L	92	Very high	86.7	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.			trans	-72.3	114.7	-171.4	-171.8	74.8	0	0	0	110.3	L575 L578 L596 L602 P621 S623 L624	L575-L599 HydrophobicContact CD2-CD1 3.54Å; L575-L599 VanDerWaalsContact O-CA 3.23Å; L575-L599 WeakPolarHBondContact O-CA 3.06Å; L575-L599 PolarHBondContact O-N 2.97Å; L578-L599 HydrophobicContact CB-CD1 3.64Å; L578-L599 HydrophobicContact CB-CD2 4.42Å; L596-L599 HydrophobicContact CB-CB 3.87Å; L596-L599 HydrophobicContact CD1-CD2 4.04Å; L596-L599 PolarHBondContact O-N 2.91Å; L599-L602 HydrophobicContact CD2-CB 4.09Å; L599-L602 HydrophobicContact CD2-CD1 4.34Å; L599-L602 HydrophobicContact CD2-CD2 4.44Å; L599-P621 HydrophobicContact CB-CG 4.09Å; L599-P621 HydrophobicContact CD2-CG 3.81Å; L599-P621 HydrophobicContact CG-CG 4.48Å; L599-S623 PolarHBondContact N-OG 2.62Å; L599-S623 CarbonylContact O-C 3.37Å; L599-S623 VanDerWaalsContact O-CB 3.29Å; L599-S623 WeakPolarHBondContact O-CB 3.33Å; L599-S623 PolarHBondContact O-OG 3.3Å; L599-L624 HydrophobicContact CD2-CD1 4.32Å; L599-L624 HydrophobicContact CG-CD1 4.33Å; L599-L624 WeakPolarHBondContact O-CA 3.29Å; L599-L624 PolarHBondContact O-N 3.3Å
600	Y	89.2	Confident	87.7	Confident	59 Å²	59	39.1 Å²	39.1	23%	0.231	21%	0.211	C	C	.	.			trans	-108.2	-22.8	177.1	71.6	-100.6	0	0	0	112.6	T37 E576 N598 V625 Y626	T37-Y600 HydrophobicContact CG2-CD1 4.29Å; T37-Y600 HydrophobicContact CG2-CD2 3.82Å; T37-Y600 HydrophobicContact CG2-CG 3.72Å; E576-Y600 HydrophobicContact CB-CD1 3.98Å; E576-Y600 HydrophobicContact CB-CE1 3.63Å; E576-Y600 HydrophobicContact CG-CD1 4.27Å; E576-Y600 HydrophobicContact CG-CE1 4.08Å; E576-Y600 WeakPolarHBondContact O-CD1 3.44Å; E576-Y600 PolarHBondContact O-N 2.89Å; N598-Y600 PolarHBondContact O-N 3.34Å; Y600-V625 WeakPolarHBondContact O-CA 3.33Å; Y600-V625 WeakPolarHBondContact O-CB 3.26Å; Y600-V625 PolarHBondContact O-N 3.13Å; Y600-Y626 PolarHBondContact O-N 2.64Å
601	H	91.8	Very high	88.6	Confident	45 Å²	45	41.7 Å²	41.7	21%	0.208	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.7	177.7	-172.8	157.1	0	0	0	109.9	E576 Y577 L578 Y626	E576-H601 PolarHBondContact O-N 3.32Å; Y577-H601 WeakPolarHBondContact CA-O 3.16Å; Y577-H601 HydrophobicContact CD2-CB 3.95Å; Y577-H601 AromaticContact CD2-CD2 3.83Å; Y577-H601 AromaticContact CD2-CG 3.6Å; Y577-H601 AromaticContact CD2-ND1 3.78Å; Y577-H601 AromaticContact CE2-CD2 3.79Å; Y577-H601 AromaticContact CE2-CE1 3.88Å; Y577-H601 AromaticContact CE2-CG 3.99Å; Y577-H601 AromaticContact CE2-NE2 3.73Å; L578-H601 PolarHBondContact N-O 3.08Å; H601-Y626 AromaticContact CD2-CD1 3.6Å; H601-Y626 AromaticContact CE1-CD1 3.74Å; H601-Y626 AromaticContact CE1-CE1 3.95Å; H601-Y626 AromaticContact CG-CD1 3.96Å; H601-Y626 AromaticContact NE2-CD1 3.45Å; H601-Y626 WeakPolarHBondContact NE2-CD1 3.38Å; H601-Y626 AromaticContact NE2-CE1 3.58Å
602	L	93.9	Very high	88.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.1	173	177.8	59	0	0	0	109.9	L578 L580 L593 L599 L604 L620 L624 Y626 L627 D628	L578-L602 HydrophobicContact CB-CD1 3.94Å; L578-L602 HydrophobicContact CD2-CD1 4.01Å; L578-L602 HydrophobicContact CG-CD1 4.02Å; L580-L602 HydrophobicContact CD1-CD1 4.29Å; L593-L602 HydrophobicContact CD1-CD2 4.11Å; L599-L602 HydrophobicContact CD2-CB 4.09Å; L599-L602 HydrophobicContact CD2-CD1 4.34Å; L599-L602 HydrophobicContact CD2-CD2 4.44Å; L602-L604 HydrophobicContact CD1-CD2 4.45Å; L602-L604 HydrophobicContact CD1-CG 4.19Å; L602-L604 HydrophobicContact CD2-CD1 3.84Å; L602-L604 HydrophobicContact CD2-CG 4.23Å; L602-L604 HydrophobicContact CG-CD1 4.1Å; L602-L604 HydrophobicContact CG-CG 3.95Å; L602-L620 HydrophobicContact CD2-CD2 3.59Å; L602-L624 HydrophobicContact CB-CD1 3.47Å; L602-L624 VanDerWaalsContact CB-CD1 3.47Å; L602-L624 HydrophobicContact CB-CD2 4.35Å; L602-L624 HydrophobicContact CD2-CD2 4.49Å; L602-Y626 PolarHBondContact N-O 2.68Å; L602-L627 HydrophobicContact CB-CD1 4.23Å; L602-L627 HydrophobicContact CD2-CD1 4.07Å; L602-L627 HydrophobicContact CG-CD1 4.1Å; L602-L627 WeakPolarHBondContact O-CA 3.49Å; L602-D628 PolarHBondContact O-N 3.18Å
603	D	94.4	Very high	88.6	Confident	19 Å²	19	41.1 Å²	41.1	10%	0.102	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.4	175.9	173.2	6.9	0	0	0	109.8	L578 L580 T581 S605 D628	L578-D603 PolarHBondContact O-N 2.81Å; L580-D603 CarbonylContact C-O 3.36Å; L580-D603 VanDerWaalsContact C-O 3.27Å; L580-D603 VanDerWaalsContact CA-O 3.26Å; L580-D603 WeakPolarHBondContact CA-O 3.23Å; L580-D603 WeakPolarHBondContact CB-O 3.44Å; L580-D603 PolarHBondContact N-O 2.97Å; T581-D603 WeakPolarHBondContact CB-OD2 3.33Å; T581-D603 PolarHBondContact N-O 3.12Å; D603-S605 VanDerWaalsContact OD1-CB 3.23Å; D603-S605 WeakPolarHBondContact OD1-CB 3.26Å; D603-S605 PolarHBondContact OD1-N 2.67Å; D603-S605 PolarHBondContact OD1-OG 3.12Å; D603-D628 HydrophobicContact CB-CB 4.36Å
604	L	94.9	Very high	87.6	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.223	C	C	.	.			trans	-115.9	19.5	176	-70.7	169.9	0	0	0	111.3	L580 L585 V588 L602 N607 L609 L627 D628 L629 N632	L580-L604 HydrophobicContact CB-CD2 3.91Å; L580-L604 HydrophobicContact CD1-CD2 3.97Å; L585-L604 HydrophobicContact CD1-CD2 3.71Å; V588-L604 HydrophobicContact CG2-CD1 3.8Å; V588-L604 HydrophobicContact CG2-CD2 4.09Å; L602-L604 HydrophobicContact CD1-CD2 4.45Å; L602-L604 HydrophobicContact CD1-CG 4.19Å; L602-L604 HydrophobicContact CD2-CD1 3.84Å; L602-L604 HydrophobicContact CD2-CG 4.23Å; L602-L604 HydrophobicContact CG-CD1 4.1Å; L602-L604 HydrophobicContact CG-CG 3.95Å; L604-N607 VanDerWaalsContact C-ND2 3.31Å; L604-N607 PolarHBondContact O-ND2 3Å; L604-L609 HydrophobicContact CB-CD1 4.02Å; L604-L609 HydrophobicContact CD1-CD1 4.15Å; L604-L627 HydrophobicContact CD1-CD1 4.03Å; L604-D628 CarbonylContact C-O 3.42Å; L604-D628 WeakPolarHBondContact CA-O 3.36Å; L604-D628 WeakPolarHBondContact CB-O 3.43Å; L604-D628 PolarHBondContact N-O 3.14Å; L604-L629 HydrophobicContact CB-CD2 3.91Å; L604-L629 HydrophobicContact CD1-CD2 4.23Å; L604-N632 PolarHBondContact O-ND2 3.3Å
605	S	95.4	Very high	86.4	Confident	5 Å²	5	44.1 Å²	44.1	4%	0.035	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	152.4	-177.1	63	0	0	0	0	112.7	T581 R582 D603 N607 D628 E630	T581-S605 CarbonylContact C-O 3.4Å; T581-S605 WeakPolarHBondContact CA-O 3.36Å; T581-S605 WeakPolarHBondContact CB-OG 2.94Å; T581-S605 PolarHBondContact OG1-O 2.92Å; T581-S605 PolarHBondContact OG1-OG 3.31Å; R582-S605 PolarHBondContact N-O 3.49Å; D603-S605 VanDerWaalsContact OD1-CB 3.23Å; D603-S605 WeakPolarHBondContact OD1-CB 3.26Å; D603-S605 PolarHBondContact OD1-N 2.67Å; D603-S605 PolarHBondContact OD1-OG 3.12Å; S605-N607 VanDerWaalsContact C-N 3.26Å; S605-N607 PolarHBondContact O-N 3.33Å; S605-N607 PolarHBondContact O-ND2 3.38Å; S605-D628 WeakPolarHBondContact CB-OD1 3.35Å; S605-D628 PolarHBondContact N-O 3.18Å; S605-E630 CarbonylContact C-O 3.57Å; S605-E630 VanDerWaalsContact CA-O 3.25Å; S605-E630 WeakPolarHBondContact CA-O 3.31Å
606	Y	96.5	Very high	84.6	Confident	95 Å²	95	46.7 Å²	46.7	37%	0.373	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	40.7	175.2	-63.3	-86.8	0	0	0	113.9	R582 E630	R582-Y606 WeakPolarHBondContact CA-O 3.23Å; R582-Y606 HydrophobicContact CG-CG 4.24Å; Y606-E630 HydrophobicContact CE2-CG 3.91Å; Y606-E630 PolarHBondContact N-O 3.14Å; Y606-E630 PolarHBondContact OH-OE1 3.02Å
607	N	95.6	Very high	82.5	Confident	12 Å²	12	52.9 Å²	52.9	6%	0.064	29%	0.291	C	S	.	.	S	Bend	trans	-99.8	-168.7	171.5	-80.6	-65.5	0	0	0	110.9	L580 C583 L584 L585 L604 S605 L609 N632 P633	L580-N607 PolarHBondContact O-ND2 3.1Å; C583-N607 VanDerWaalsContact CA-OD1 3.26Å; C583-N607 WeakPolarHBondContact CA-OD1 3.3Å; C583-N607 PolarHBondContact N-OD1 3Å; L584-N607 PolarHBondContact N-OD1 3.47Å; L585-N607 HydrophobicContact CB-CB 4.16Å; L585-N607 PolarHBondContact N-OD1 3.42Å; L604-N607 VanDerWaalsContact C-ND2 3.31Å; L604-N607 PolarHBondContact O-ND2 3Å; S605-N607 VanDerWaalsContact C-N 3.26Å; S605-N607 PolarHBondContact O-N 3.33Å; S605-N607 PolarHBondContact O-ND2 3.38Å; N607-L609 HydrophobicContact CB-CG 4.07Å; N607-N632 VanDerWaalsContact CA-OD1 3.23Å; N607-N632 WeakPolarHBondContact CA-OD1 3.1Å; N607-N632 WeakPolarHBondContact CB-OD1 3.26Å; N607-N632 PolarHBondContact N-OD1 3.2Å; N607-N632 PolarHBondContact O-OD1 2.79Å; N607-P633 WeakPolarHBondContact O-CD 3.23Å
608	G	93.5	Very high	80.8	Confident	26 Å²	26	50.2 Å²	50.2	27%	0.268	28%	0.277	S	S	.	.			trans	-104.1	26	176.2	0	0	0	0	0	113.3	L585 R610	L585-G608 CarbonylContact O-C 3.45Å; L585-G608 VanDerWaalsContact O-C 3.27Å; L585-G608 VanDerWaalsContact O-CA 3.26Å; L585-G608 WeakPolarHBondContact O-CA 3.15Å; L585-G608 PolarHBondContact O-N 2.82Å; G608-R610 PolarHBondContact O-N 2.78Å
609	L	91.4	Very high	79.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.268	C	S	.	.			trans	-70.1	121.1	-174.8	-57.4	176.2	0	0	0	110.4	L585 V588 L604 N607 L629 N632 P633	L585-L609 HydrophobicContact CB-CD2 4.14Å; L585-L609 PolarHBondContact O-N 2.75Å; V588-L609 HydrophobicContact CG2-CD1 3.96Å; V588-L609 HydrophobicContact CG2-CD2 3.75Å; L604-L609 HydrophobicContact CB-CD1 4.02Å; L604-L609 HydrophobicContact CD1-CD1 4.15Å; N607-L609 HydrophobicContact CB-CG 4.07Å; L609-L629 HydrophobicContact CD1-CD2 3.92Å; L609-N632 HydrophobicContact CB-CB 4.19Å; L609-N632 VanDerWaalsContact CB-OD1 3.29Å; L609-N632 WeakPolarHBondContact CB-OD1 3.35Å; L609-N632 WeakPolarHBondContact CG-OD1 3.12Å; L609-N632 PolarHBondContact N-OD1 3.04Å; L609-N632 VanDerWaalsContact N-OD1 3.07Å; L609-P633 CarbonylContact O-C 3.14Å; L609-P633 WeakPolarHBondContact O-CD 3.29Å
610	R	88.9	Confident	79.5	Confident	177 Å²	177	48.8 Å²	48.8	67%	0.668	27%	0.271	S	S	*	.	S	Bend	trans	-91.5	-40.4	170.8	-68.1	-174.3	178.1	-173.1	-1.3	111.7	G608 P633 L634 D635	G608-R610 PolarHBondContact O-N 2.78Å; R610-P633 WeakPolarHBondContact CA-O 3.47Å; R610-P633 HydrophobicContact CG-CG 4.48Å; R610-L634 CarbonylContact O-C 3.23Å; R610-L634 WeakPolarHBondContact O-CA 3.35Å; R610-D635 PolarHBondContact O-N 2.95Å
611	T	80.9	Confident	79.4	Confident	64 Å²	64	46.1 Å²	46.1	39%	0.393	26%	0.262	S	S	.	.			trans	-134.6	158.4	179	60.2	0	0	0	0	109.7	D635	T611-D635 HydrophobicContact CG2-CB 4.32Å
612	V	76.8	Confident	79	Confident	12 Å²	12	47.1 Å²	47.1	7%	0.073	27%	0.274	C	S	.	.			trans	-115.2	111	169.8	-173.8	0	0	0	0	106.3	V614 L620 L629 F643	V612-V614 HydrophobicContact CG1-CG2 4.41Å; V612-V614 WeakPolarHBondContact O-CG2 3.24Å; V612-L620 HydrophobicContact CG1-CD1 4.03Å; V612-L629 HydrophobicContact CG2-CD1 3.98Å; V612-L629 HydrophobicContact CG2-CD2 4.47Å; V612-F643 HydrophobicContact CB-CD1 4.32Å; V612-F643 HydrophobicContact CB-CD2 3.72Å; V612-F643 HydrophobicContact CB-CE1 4.41Å; V612-F643 HydrophobicContact CB-CE2 3.85Å; V612-F643 HydrophobicContact CB-CG 3.96Å; V612-F643 HydrophobicContact CB-CZ 4.19Å; V612-F643 HydrophobicContact CG1-CD2 3.67Å; V612-F643 HydrophobicContact CG1-CE2 3.6Å; V612-F643 HydrophobicContact CG1-CG 4.41Å; V612-F643 HydrophobicContact CG1-CZ 4.28Å; V612-F643 HydrophobicContact CG2-CD2 4.46Å; V612-F643 HydrophobicContact CG2-CE1 4.21Å; V612-F643 HydrophobicContact CG2-CE2 4.18Å; V612-F643 HydrophobicContact CG2-CZ 4.04Å
613	N	70.6	Confident	78.7	Confident	93 Å²	93	47.3 Å²	47.3	50%	0.497	28%	0.275	S	S	.	.			trans	-80.9	133.8	178.5	-169.9	-4.9	0	0	0	109.7
614	V	63.7	Low	78.4	Confident	13 Å²	13	46.4 Å²	46.4	8%	0.079	27%	0.27	C	S	.	.			trans	-135.9	7.9	-167.5	-140.8	0	0	0	0	114.9	V612 F643 W646	V612-V614 HydrophobicContact CG1-CG2 4.41Å; V612-V614 WeakPolarHBondContact O-CG2 3.24Å; V614-F643 HydrophobicContact CG2-CB 3.56Å; V614-F643 HydrophobicContact CG2-CD2 3.62Å; V614-F643 HydrophobicContact CG2-CG 4.04Å; V614-W646 HydrophobicContact CB-CB 4.19Å; V614-W646 HydrophobicContact CB-CG 4.24Å; V614-W646 HydrophobicContact CG1-CB 3.54Å; V614-W646 HydrophobicContact CG1-CD2 3.42Å; V614-W646 VanDerWaalsContact CG1-CD2 3.42Å; V614-W646 HydrophobicContact CG1-CE3 4.09Å; V614-W646 HydrophobicContact CG1-CG 3.12Å
615	N	55.6	Low	78.1	Confident	100 Å²	100	46.6 Å²	46.6	54%	0.535	27%	0.271	S	S	.	.			trans	-58.9	145.9	178.9	-70.5	-4.3	0	0	0	111.1	T617 S618 G619	N615-T617 PolarHBondContact O-N 3.46Å; N615-S618 CarbonylContact O-C 3.27Å; N615-S618 WeakPolarHBondContact O-CA 3.44Å; N615-S618 PolarHBondContact O-N 3.16Å; N615-G619 PolarHBondContact O-N 3.25Å
616	A	44.8	Very low	77.7	Confident	114 Å²	114	47.5 Å²	47.5	94%	0.942	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-23.3	-164.1	0	0	0	0	0	116.6
617	T	45.4	Very low	77.4	Confident	129 Å²	129	43 Å²	43	79%	0.791	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-4.5	176.7	51.7	0	0	0	0	113.7	N615	N615-T617 PolarHBondContact O-N 3.46Å
618	S	50.7	Low	77.2	Confident	36 Å²	36	43.5 Å²	43.5	25%	0.252	26%	0.259	S	S	.	.	S	Bend	trans	-148.6	32.8	-158.1	-41.6	0	0	0	0	112.9	S590 N615	S590-S618 WeakPolarHBondContact CB-O 3.45Å; S590-S618 WeakPolarHBondContact OG-CA 3.37Å; S590-S618 WeakPolarHBondContact OG-CB 3.29Å; S590-S618 PolarHBondContact OG-O 3.26Å; N615-S618 CarbonylContact O-C 3.27Å; N615-S618 WeakPolarHBondContact O-CA 3.44Å; N615-S618 PolarHBondContact O-N 3.16Å
619	G	71.1	Confident	77.2	Confident	11 Å²	11	42.3 Å²	42.3	11%	0.113	25%	0.246	C	C	.	.			trans	-111.2	179.2	-168.3	0	0	0	0	0	118.2	S590 N615	S590-G619 WeakPolarHBondContact CB-O 3.44Å; N615-G619 PolarHBondContact O-N 3.25Å
620	L	84.9	Confident	77.3	Confident	12 Å²	12	44.8 Å²	44.8	6%	0.063	26%	0.258	C	S	.	.			trans	-67.9	153.6	164.8	-70.9	172.2	0	0	0	110.7	L593 L602 V612 S622 L624 L627 F643 W646	L593-L620 HydrophobicContact CD1-CD2 4.2Å; L602-L620 HydrophobicContact CD2-CD2 3.59Å; V612-L620 HydrophobicContact CG1-CD1 4.03Å; L620-S622 PolarHBondContact O-N 3.31Å; L620-L624 HydrophobicContact CD1-CD2 4.25Å; L620-L627 HydrophobicContact CD1-CD2 3.86Å; L620-F643 HydrophobicContact CD1-CE2 4.26Å; L620-W646 HydrophobicContact CB-CH2 3.44Å; L620-W646 VanDerWaalsContact CB-CH2 3.44Å; L620-W646 HydrophobicContact CB-CZ2 3.58Å; L620-W646 HydrophobicContact CB-CZ3 4.2Å; L620-W646 HydrophobicContact CD1-CE3 4.4Å; L620-W646 HydrophobicContact CD1-CH2 3.68Å; L620-W646 HydrophobicContact CD1-CZ2 4.5Å; L620-W646 HydrophobicContact CD1-CZ3 3.61Å; L620-W646 HydrophobicContact CG-CH2 4.21Å
621	P	86.9	Confident	77.5	Confident	4 Å²	4	38 Å²	38	3%	0.026	24%	0.244	C	C	.	.			trans	-66.6	137.1	-178.2	26.9	-33.1	0	0	0	111.3	L596 L599 S623 L624	L596-P621 WeakPolarHBondContact O-CB 3.44Å; L599-P621 HydrophobicContact CB-CG 4.09Å; L599-P621 HydrophobicContact CD2-CG 3.81Å; L599-P621 HydrophobicContact CG-CG 4.48Å; P621-S623 PolarHBondContact O-N 2.89Å; P621-L624 VanDerWaalsContact O-CB 3.31Å; P621-L624 WeakPolarHBondContact O-CB 3.44Å; P621-L624 PolarHBondContact O-N 3Å
622	S	83.8	Confident	78.1	Confident	66 Å²	66	35.4 Å²	35.4	46%	0.462	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.8	177.8	60.2	0	0	0	0	113.2	K34 L620 L624	K34-S622 VanDerWaalsContact CE-O 3.24Å; K34-S622 WeakPolarHBondContact CE-O 3.39Å; K34-S622 PolarHBondContact NZ-O 3.44Å; L620-S622 PolarHBondContact O-N 3.31Å; S622-L624 PolarHBondContact O-N 2.95Å
623	S	87.3	Confident	78.9	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.021	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.5	174.3	55.8	0	0	0	0	114.8	R30 L596 T597 L599 P621 V625	R30-S623 VanDerWaalsContact CZ-CB 3.45Å; L596-S623 PolarHBondContact O-OG 2.83Å; T597-S623 WeakPolarHBondContact O-CB 3.19Å; L599-S623 PolarHBondContact N-OG 2.62Å; L599-S623 CarbonylContact O-C 3.37Å; L599-S623 VanDerWaalsContact O-CB 3.29Å; L599-S623 WeakPolarHBondContact O-CB 3.33Å; L599-S623 PolarHBondContact O-OG 3.3Å; P621-S623 PolarHBondContact O-N 2.89Å; S623-V625 PolarHBondContact O-N 3.49Å
624	L	88.5	Confident	79.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	21%	0.211	C	C	.	.			trans	-62.5	136.7	-172.3	-161.7	67	0	0	0	111.2	K34 L599 L602 L620 P621 S622 Y626 L627 W646 V652	K34-L624 VanDerWaalsContact CE-O 3.31Å; K34-L624 WeakPolarHBondContact CE-O 2.87Å; K34-L624 PolarHBondContact NZ-O 2.86Å; L599-L624 HydrophobicContact CD2-CD1 4.32Å; L599-L624 HydrophobicContact CG-CD1 4.33Å; L599-L624 WeakPolarHBondContact O-CA 3.29Å; L599-L624 PolarHBondContact O-N 3.3Å; L602-L624 HydrophobicContact CB-CD1 3.47Å; L602-L624 VanDerWaalsContact CB-CD1 3.47Å; L602-L624 HydrophobicContact CB-CD2 4.35Å; L602-L624 HydrophobicContact CD2-CD2 4.49Å; L620-L624 HydrophobicContact CD1-CD2 4.25Å; P621-L624 VanDerWaalsContact O-CB 3.31Å; P621-L624 WeakPolarHBondContact O-CB 3.44Å; P621-L624 PolarHBondContact O-N 3Å; S622-L624 PolarHBondContact O-N 2.95Å; L624-Y626 WeakPolarHBondContact CD1-O 3.31Å; L624-L627 HydrophobicContact CD2-CB 3.9Å; L624-L627 HydrophobicContact CD2-CD1 4.2Å; L624-L627 HydrophobicContact CD2-CD2 4.37Å; L624-L627 HydrophobicContact CD2-CG 4.37Å; L624-W646 HydrophobicContact CB-CH2 4.4Å; L624-W646 HydrophobicContact CD2-CH2 4.07Å; L624-V652 HydrophobicContact CB-CG2 4.39Å; L624-V652 HydrophobicContact CD2-CG1 4.12Å; L624-V652 HydrophobicContact CG-CG1 4.26Å
625	V	87	Confident	81	Confident	6 Å²	6	33 Å²	33	4%	0.036	22%	0.216	C	C	.	.			trans	-118.2	-39.3	178.9	173.1	0	0	0	0	110.4	K34 P35 T37 Y600 S623 T653	K34-V625 HydrophobicContact CG-CG2 4.32Å; P35-V625 VanDerWaalsContact C-CG1 3.41Å; P35-V625 HydrophobicContact CB-CG1 4.49Å; P35-V625 WeakPolarHBondContact O-CG1 3.38Å; T37-V625 HydrophobicContact CG2-CB 4.44Å; T37-V625 HydrophobicContact CG2-CG2 3.97Å; Y600-V625 WeakPolarHBondContact O-CA 3.33Å; Y600-V625 WeakPolarHBondContact O-CB 3.26Å; Y600-V625 PolarHBondContact O-N 3.13Å; S623-V625 PolarHBondContact O-N 3.49Å; V625-T653 PolarHBondContact O-N 3.09Å
626	Y	88	Confident	82.5	Confident	24 Å²	24	28.3 Å²	28.3	9%	0.094	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.3	178.9	-178.7	-109.2	0	0	0	110.8	H55 Y600 H601 L602 L624 D628 T653	H55-Y626 HydrophobicContact CB-CD2 3.88Å; H55-Y626 HydrophobicContact CB-CE2 3.89Å; H55-Y626 AromaticContact CE1-CE1 3.97Å; H55-Y626 AromaticContact CE1-CE2 3.81Å; H55-Y626 AromaticContact CE1-CZ 3.53Å; H55-Y626 AromaticContact CG-CD2 3.96Å; H55-Y626 AromaticContact CG-CE2 3.65Å; H55-Y626 AromaticContact ND1-CD2 3.33Å; H55-Y626 VanDerWaalsContact ND1-CD2 3.33Å; H55-Y626 WeakPolarHBondContact ND1-CD2 3.46Å; H55-Y626 AromaticContact ND1-CE1 3.68Å; H55-Y626 AromaticContact ND1-CE2 2.97Å; H55-Y626 WeakPolarHBondContact ND1-CE2 3.42Å; H55-Y626 AromaticContact ND1-CG 3.84Å; H55-Y626 AromaticContact ND1-CZ 3.15Å; Y600-Y626 PolarHBondContact O-N 2.64Å; H601-Y626 AromaticContact CD2-CD1 3.6Å; H601-Y626 AromaticContact CE1-CD1 3.74Å; H601-Y626 AromaticContact CE1-CE1 3.95Å; H601-Y626 AromaticContact CG-CD1 3.96Å; H601-Y626 AromaticContact NE2-CD1 3.45Å; H601-Y626 WeakPolarHBondContact NE2-CD1 3.38Å; H601-Y626 AromaticContact NE2-CE1 3.58Å; L602-Y626 PolarHBondContact N-O 2.68Å; L624-Y626 WeakPolarHBondContact CD1-O 3.31Å; Y626-D628 HydrophobicContact CE1-CB 4.16Å; Y626-T653 WeakPolarHBondContact CA-O 2.95Å; Y626-T653 HydrophobicContact CD2-CG2 4.4Å; Y626-T653 WeakPolarHBondContact CD2-O 3.41Å
627	L	90.8	Very high	84.4	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.8	179	177.3	58.5	0	0	0	109	L602 L604 L620 L624 L629 F643 L647 V652 T653 L654 S655	L602-L627 HydrophobicContact CB-CD1 4.23Å; L602-L627 HydrophobicContact CD2-CD1 4.07Å; L602-L627 HydrophobicContact CG-CD1 4.1Å; L602-L627 WeakPolarHBondContact O-CA 3.49Å; L604-L627 HydrophobicContact CD1-CD1 4.03Å; L620-L627 HydrophobicContact CD1-CD2 3.86Å; L624-L627 HydrophobicContact CD2-CB 3.9Å; L624-L627 HydrophobicContact CD2-CD1 4.2Å; L624-L627 HydrophobicContact CD2-CD2 4.37Å; L624-L627 HydrophobicContact CD2-CG 4.37Å; L627-L629 HydrophobicContact CD1-CD2 4.37Å; L627-L629 HydrophobicContact CD1-CG 4.41Å; L627-L629 HydrophobicContact CD2-CD1 4.07Å; L627-L629 HydrophobicContact CD2-CG 4.21Å; L627-L629 HydrophobicContact CG-CD1 4.43Å; L627-L629 HydrophobicContact CG-CG 4.04Å; L627-F643 HydrophobicContact CD2-CE2 4Å; L627-F643 HydrophobicContact CD2-CZ 3.8Å; L627-L647 HydrophobicContact CD2-CD2 4.21Å; L627-V652 HydrophobicContact CB-CG1 3.81Å; L627-T653 PolarHBondContact N-O 3.48Å; L627-L654 HydrophobicContact CB-CD1 4.44Å; L627-L654 HydrophobicContact CD2-CD1 4.32Å; L627-L654 HydrophobicContact CG-CD1 4.21Å; L627-L654 WeakPolarHBondContact O-CA 3.47Å; L627-S655 PolarHBondContact O-N 2.81Å
628	D	91.2	Very high	86.1	Confident	21 Å²	21	18.6 Å²	18.6	11%	0.112	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.3	172.4	-162.9	-25.6	0	0	0	110.4	L602 D603 L604 S605 Y626 E630 S655	L602-D628 PolarHBondContact O-N 3.18Å; D603-D628 HydrophobicContact CB-CB 4.36Å; L604-D628 CarbonylContact C-O 3.42Å; L604-D628 WeakPolarHBondContact CA-O 3.36Å; L604-D628 WeakPolarHBondContact CB-O 3.43Å; L604-D628 PolarHBondContact N-O 3.14Å; S605-D628 WeakPolarHBondContact CB-OD1 3.35Å; S605-D628 PolarHBondContact N-O 3.18Å; Y626-D628 HydrophobicContact CE1-CB 4.16Å; D628-E630 VanDerWaalsContact OD1-CB 3.24Å; D628-E630 WeakPolarHBondContact OD1-CB 3.36Å; D628-E630 PolarHBondContact OD1-N 3.31Å; D628-S655 WeakPolarHBondContact OD1-CB 3.34Å; D628-S655 PolarHBondContact OD1-OG 2.85Å; D628-S655 VanDerWaalsContact OD1-OG 3.13Å
629	L	92.5	Very high	87.4	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.138	C	C	.	.			trans	-122.6	12.6	174.9	-67.9	178.1	0	0	0	112.4	L604 L609 V612 L627 G631 N632 L634 F643 L654 S655 T659	L604-L629 HydrophobicContact CB-CD2 3.91Å; L604-L629 HydrophobicContact CD1-CD2 4.23Å; L609-L629 HydrophobicContact CD1-CD2 3.92Å; V612-L629 HydrophobicContact CG2-CD1 3.98Å; V612-L629 HydrophobicContact CG2-CD2 4.47Å; L627-L629 HydrophobicContact CD1-CD2 4.37Å; L627-L629 HydrophobicContact CD1-CG 4.41Å; L627-L629 HydrophobicContact CD2-CD1 4.07Å; L627-L629 HydrophobicContact CD2-CG 4.21Å; L627-L629 HydrophobicContact CG-CD1 4.43Å; L627-L629 HydrophobicContact CG-CG 4.04Å; L629-G631 PolarHBondContact O-N 3.27Å; L629-N632 PolarHBondContact O-N 3.24Å; L629-N632 PolarHBondContact O-ND2 2.89Å; L629-L634 HydrophobicContact CB-CD1 4.42Å; L629-F643 HydrophobicContact CD1-CE1 3.86Å; L629-F643 HydrophobicContact CD1-CZ 3.59Å; L629-L654 HydrophobicContact CB-CD1 4.07Å; L629-L654 HydrophobicContact CD1-CD1 3.75Å; L629-L654 HydrophobicContact CG-CD1 3.91Å; L629-S655 PolarHBondContact N-OG 2.89Å; L629-S655 VanDerWaalsContact N-OG 3.14Å; L629-T659 HydrophobicContact CB-CG2 3.98Å
630	E	93.2	Very high	88	Confident	53 Å²	53	22.7 Å²	22.7	25%	0.248	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	140.3	-179.6	174.6	170.6	169.8	0	0	111.2	S605 Y606 D628 N632 T659	S605-E630 CarbonylContact C-O 3.57Å; S605-E630 VanDerWaalsContact CA-O 3.25Å; S605-E630 WeakPolarHBondContact CA-O 3.31Å; Y606-E630 HydrophobicContact CE2-CG 3.91Å; Y606-E630 PolarHBondContact N-O 3.14Å; Y606-E630 PolarHBondContact OH-OE1 3.02Å; D628-E630 VanDerWaalsContact OD1-CB 3.24Å; D628-E630 WeakPolarHBondContact OD1-CB 3.36Å; D628-E630 PolarHBondContact OD1-N 3.31Å; E630-N632 VanDerWaalsContact C-N 3.28Å; E630-N632 PolarHBondContact O-N 3.35Å; E630-N632 PolarHBondContact O-ND2 2.91Å; E630-T659 WeakPolarHBondContact CA-OG1 3.28Å; E630-T659 PolarHBondContact N-OG1 2.73Å
631	G	93.7	Very high	87.7	Confident	36 Å²	36	22.2 Å²	22.2	37%	0.371	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	14.2	172.9	0	0	0	0	0	116.2	L629 G658	L629-G631 PolarHBondContact O-N 3.27Å; G631-G658 PolarHBondContact N-O 2.99Å; G631-G658 VanDerWaalsContact N-O 3.16Å
632	N	93.5	Very high	87.4	Confident	8 Å²	8	24.7 Å²	24.7	4%	0.043	15%	0.148	C	C	.	.			trans	-90.4	145	170.5	-77.3	-82.2	0	0	0	112.1	L604 N607 L609 L629 E630 L634	L604-N632 PolarHBondContact O-ND2 3.3Å; N607-N632 VanDerWaalsContact CA-OD1 3.23Å; N607-N632 WeakPolarHBondContact CA-OD1 3.1Å; N607-N632 WeakPolarHBondContact CB-OD1 3.26Å; N607-N632 PolarHBondContact N-OD1 3.2Å; N607-N632 PolarHBondContact O-OD1 2.79Å; L609-N632 HydrophobicContact CB-CB 4.19Å; L609-N632 VanDerWaalsContact CB-OD1 3.29Å; L609-N632 WeakPolarHBondContact CB-OD1 3.35Å; L609-N632 WeakPolarHBondContact CG-OD1 3.12Å; L609-N632 PolarHBondContact N-OD1 3.04Å; L609-N632 VanDerWaalsContact N-OD1 3.07Å; L629-N632 PolarHBondContact O-N 3.24Å; L629-N632 PolarHBondContact O-ND2 2.89Å; E630-N632 VanDerWaalsContact C-N 3.28Å; E630-N632 PolarHBondContact O-N 3.35Å; E630-N632 PolarHBondContact O-ND2 2.91Å; N632-L634 HydrophobicContact CB-CD2 3.96Å; N632-L634 HydrophobicContact CB-CG 4.04Å; N632-L634 PolarHBondContact O-N 2.79Å
633	P	93.2	Very high	87.4	Confident	35 Å²	35	21.7 Å²	21.7	23%	0.227	13%	0.126	C	C	.	.			trans	-78.4	61.4	176.8	35.1	-37.5	0	0	0	112	N607 L609 R610 D635 Y662	N607-P633 WeakPolarHBondContact O-CD 3.23Å; L609-P633 CarbonylContact O-C 3.14Å; L609-P633 WeakPolarHBondContact O-CD 3.29Å; R610-P633 WeakPolarHBondContact CA-O 3.47Å; R610-P633 HydrophobicContact CG-CG 4.48Å; P633-D635 PolarHBondContact O-N 3.3Å; P633-Y662 HydrophobicContact CB-CD1 3.99Å; P633-Y662 HydrophobicContact CB-CD2 4.44Å; P633-Y662 HydrophobicContact CB-CG 3.92Å
634	L	90.9	Very high	87.1	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	130.1	-173.9	-61.1	175.4	0	0	0	112	R610 L629 N632 C636 T659 Y662 T663 P672	R610-L634 CarbonylContact O-C 3.23Å; R610-L634 WeakPolarHBondContact O-CA 3.35Å; L629-L634 HydrophobicContact CB-CD1 4.42Å; N632-L634 HydrophobicContact CB-CD2 3.96Å; N632-L634 HydrophobicContact CB-CG 4.04Å; N632-L634 PolarHBondContact O-N 2.79Å; L634-C636 PolarHBondContact O-N 2.65Å; L634-T659 HydrophobicContact CD1-CG2 3.92Å; L634-Y662 PolarHBondContact O-N 3Å; L634-T663 PolarHBondContact O-N 3.4Å; L634-P672 HydrophobicContact CD1-CG 4.4Å
635	D	88.9	Confident	86.8	Confident	33 Å²	33	24.6 Å²	24.6	18%	0.176	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	100.1	167.4	-175.4	38.9	0	0	0	109.7	R610 T611 P633 S637 T663	R610-D635 PolarHBondContact O-N 2.95Å; T611-D635 HydrophobicContact CG2-CB 4.32Å; P633-D635 PolarHBondContact O-N 3.3Å; D635-S637 PolarHBondContact O-N 2.86Å; D635-S637 WeakPolarHBondContact OD2-CB 3.49Å; D635-S637 PolarHBondContact OD2-OG 3.48Å; D635-T663 CarbonylContact C-O 3.19Å; D635-T663 VanDerWaalsContact CA-OG1 3.3Å; D635-T663 WeakPolarHBondContact CA-OG1 3.41Å; D635-T663 VanDerWaalsContact CB-OG1 3.31Å; D635-T663 WeakPolarHBondContact CB-OG1 3.25Å; D635-T663 VanDerWaalsContact CG-OG1 3.3Å; D635-T663 WeakPolarHBondContact OD1-CB 3Å; D635-T663 PolarHBondContact OD1-OG1 3.42Å
636	C	86.6	Confident	86.7	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.			trans	-85.3	32.4	176.1	-67.7	0	0	0	0	112.5	L634 L640 C661 T663 L667 M676	L634-C636 PolarHBondContact O-N 2.65Å; C636-L640 HydrophobicContact CB-CD2 4.18Å; C636-C661 HydrophobicContact CB-CB 3.57Å; C636-C661 WeakPolarHBondContact CB-SG 3.44Å; C636-C661 WeakPolarHBondContact SG-CA 3.48Å; C636-C661 WeakPolarHBondContact SG-CB 3.06Å; C636-C661 CovalentContact SG-SG 2.02Å; C636-C661 PolarHBondContact SG-SG 2.85Å; C636-T663 WeakPolarHBondContact CA-O 3.33Å; C636-T663 WeakPolarHBondContact CB-O 3.46Å; C636-T663 PolarHBondContact N-O 2.97Å; C636-L667 HydrophobicContact CB-CD1 3.91Å; C636-L667 WeakPolarHBondContact O-CD1 3.49Å; C636-M676 HydrophobicContact CB-CE 3.79Å; C636-M676 HydrophobicContact CB-SD 3.53Å; C636-M676 VanDerWaalsContact CB-SD 3.53Å; C636-M676 WeakPolarHBondContact O-CE 3.31Å
637	S	84.7	Confident	86.5	Confident	21 Å²	21	24.2 Å²	24.2	15%	0.147	14%	0.139	C	C	.	.	S	Bend	trans	-66	173.7	165.6	67.8	0	0	0	0	110.3	D635 Q639 L640	D635-S637 PolarHBondContact O-N 2.86Å; D635-S637 WeakPolarHBondContact OD2-CB 3.49Å; D635-S637 PolarHBondContact OD2-OG 3.48Å; S637-Q639 PolarHBondContact O-N 3Å; S637-L640 WeakPolarHBondContact O-CB 3.44Å; S637-L640 PolarHBondContact O-N 3.07Å
638	C	80	Confident	86	Confident	18 Å²	18	26.6 Å²	26.6	12%	0.122	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-61.3	-12.2	177.4	-59.8	0	0	0	0	113.8	L640 M641 C681 H688	C638-L640 PolarHBondContact O-N 2.88Å; C638-M641 WeakPolarHBondContact O-CB 3.21Å; C638-M641 PolarHBondContact O-N 3.49Å; C638-C681 WeakPolarHBondContact CA-SG 3.49Å; C638-C681 HydrophobicContact CB-CB 3.86Å; C638-C681 WeakPolarHBondContact CB-SG 2.97Å; C638-C681 VanDerWaalsContact SG-CA 3.53Å; C638-C681 WeakPolarHBondContact SG-CB 3.34Å; C638-C681 CovalentContact SG-SG 2.03Å; C638-C681 PolarHBondContact SG-SG 2.97Å; C638-H688 HydrophobicContact CB-CB 4.05Å
639	Q	78.9	Confident	85.6	Confident	132 Å²	132	31.7 Å²	31.7	62%	0.617	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-66.9	-23.4	172.4	-60.5	-177.6	6.1	0	0	112.7	S637 M641 S642	S637-Q639 PolarHBondContact O-N 3Å; Q639-M641 PolarHBondContact O-N 3.25Å; Q639-S642 PolarHBondContact O-OG 3.2Å
640	L	83.2	Confident	85.1	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-74.9	-13.4	176.3	-164.8	66.8	0	0	0	112.5	C636 S637 C638 S642 F643 I644 P672 M676	C636-L640 HydrophobicContact CB-CD2 4.18Å; S637-L640 WeakPolarHBondContact O-CB 3.44Å; S637-L640 PolarHBondContact O-N 3.07Å; C638-L640 PolarHBondContact O-N 2.88Å; L640-S642 VanDerWaalsContact C-N 3.33Å; L640-S642 PolarHBondContact O-N 3.01Å; L640-F643 HydrophobicContact CD1-CB 4.18Å; L640-F643 HydrophobicContact CD1-CD1 3.63Å; L640-F643 HydrophobicContact CD1-CE1 4.47Å; L640-F643 HydrophobicContact CD1-CG 4.3Å; L640-F643 HydrophobicContact CG-CD1 4.14Å; L640-F643 WeakPolarHBondContact O-CA 3.4Å; L640-F643 WeakPolarHBondContact O-CB 3.3Å; L640-F643 PolarHBondContact O-N 3.29Å; L640-I644 HydrophobicContact CD2-CD1 4.45Å; L640-I644 HydrophobicContact CG-CD1 4.47Å; L640-I644 HydrophobicContact CG-CG1 4.46Å; L640-I644 PolarHBondContact O-N 3.16Å; L640-P672 HydrophobicContact CD2-CB 3.76Å; L640-M676 HydrophobicContact CD2-SD 4.47Å
641	M	78.3	Confident	84.5	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-34.2	-169.3	-150.4	63.7	65.9	0	0	112.8	C638 Q639 F643 I644 D645 M676 C677 W678	C638-M641 WeakPolarHBondContact O-CB 3.21Å; C638-M641 PolarHBondContact O-N 3.49Å; Q639-M641 PolarHBondContact O-N 3.25Å; M641-F643 PolarHBondContact O-N 2.87Å; M641-I644 PolarHBondContact O-N 2.68Å; M641-I644 VanDerWaalsContact O-N 3.15Å; M641-I644 HydrophobicContact SD-CB 4.36Å; M641-I644 HydrophobicContact SD-CD1 3.8Å; M641-D645 PolarHBondContact O-N 3.23Å; M641-M676 HydrophobicContact CE-CE 4.2Å; M641-C677 WeakPolarHBondContact CE-O 3.34Å; M641-W678 HydrophobicContact CB-CD2 4.44Å; M641-W678 HydrophobicContact CB-CH2 4.23Å; M641-W678 HydrophobicContact CB-CZ2 3.83Å; M641-W678 HydrophobicContact CG-CD2 3.43Å; M641-W678 VanDerWaalsContact CG-CD2 3.43Å; M641-W678 HydrophobicContact CG-CE3 4.1Å; M641-W678 HydrophobicContact CG-CG 3.71Å; M641-W678 HydrophobicContact CG-CH2 4.17Å; M641-W678 HydrophobicContact CG-CZ2 3.5Å; M641-W678 VanDerWaalsContact CG-CZ2 3.5Å; M641-W678 HydrophobicContact CG-CZ3 4.44Å; M641-W678 HydrophobicContact SD-CG 4.24Å
642	S	80.6	Confident	84	Confident	56 Å²	56	31.7 Å²	31.7	39%	0.392	18%	0.176	S	C	.	.	H	α-helix	trans	-62	-30.4	171.3	58	0	0	0	0	113	Q639 L640 W646	Q639-S642 PolarHBondContact O-OG 3.2Å; L640-S642 VanDerWaalsContact C-N 3.33Å; L640-S642 PolarHBondContact O-N 3.01Å; S642-W646 WeakPolarHBondContact O-CB 3.26Å; S642-W646 PolarHBondContact O-N 2.71Å
643	F	84.3	Confident	83.5	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-75.1	-38.7	173.4	170.5	-112.4	0	0	0	112.6	V612 V614 L620 L627 L629 L640 M641 D645 W646 L647	V612-F643 HydrophobicContact CB-CD1 4.32Å; V612-F643 HydrophobicContact CB-CD2 3.72Å; V612-F643 HydrophobicContact CB-CE1 4.41Å; V612-F643 HydrophobicContact CB-CE2 3.85Å; V612-F643 HydrophobicContact CB-CG 3.96Å; V612-F643 HydrophobicContact CB-CZ 4.19Å; V612-F643 HydrophobicContact CG1-CD2 3.67Å; V612-F643 HydrophobicContact CG1-CE2 3.6Å; V612-F643 HydrophobicContact CG1-CG 4.41Å; V612-F643 HydrophobicContact CG1-CZ 4.28Å; V612-F643 HydrophobicContact CG2-CD2 4.46Å; V612-F643 HydrophobicContact CG2-CE1 4.21Å; V612-F643 HydrophobicContact CG2-CE2 4.18Å; V612-F643 HydrophobicContact CG2-CZ 4.04Å; V614-F643 HydrophobicContact CG2-CB 3.56Å; V614-F643 HydrophobicContact CG2-CD2 3.62Å; V614-F643 HydrophobicContact CG2-CG 4.04Å; L620-F643 HydrophobicContact CD1-CE2 4.26Å; L627-F643 HydrophobicContact CD2-CE2 4Å; L627-F643 HydrophobicContact CD2-CZ 3.8Å; L629-F643 HydrophobicContact CD1-CE1 3.86Å; L629-F643 HydrophobicContact CD1-CZ 3.59Å; L640-F643 HydrophobicContact CD1-CB 4.18Å; L640-F643 HydrophobicContact CD1-CD1 3.63Å; L640-F643 HydrophobicContact CD1-CE1 4.47Å; L640-F643 HydrophobicContact CD1-CG 4.3Å; L640-F643 HydrophobicContact CG-CD1 4.14Å; L640-F643 WeakPolarHBondContact O-CA 3.4Å; L640-F643 WeakPolarHBondContact O-CB 3.3Å; L640-F643 PolarHBondContact O-N 3.29Å; M641-F643 PolarHBondContact O-N 2.87Å; F643-D645 VanDerWaalsContact C-N 3.3Å; F643-D645 PolarHBondContact O-N 3.18Å; F643-W646 HydrophobicContact CD2-CE3 4.29Å; F643-W646 HydrophobicContact CE2-CE3 4.21Å; F643-W646 HydrophobicContact CE2-CZ3 4.41Å; F643-W646 PolarHBondContact O-N 3.47Å; F643-L647 HydrophobicContact CD1-CD1 4.08Å; F643-L647 HydrophobicContact CD2-CG 4.22Å; F643-L647 HydrophobicContact CE1-CD1 3.55Å; F643-L647 HydrophobicContact CE1-CG 4.16Å; F643-L647 HydrophobicContact CE2-CD1 4.13Å; F643-L647 HydrophobicContact CE2-CD2 3.85Å; F643-L647 HydrophobicContact CE2-CG 3.81Å; F643-L647 HydrophobicContact CZ-CD1 3.58Å; F643-L647 HydrophobicContact CZ-CD2 3.85Å; F643-L647 HydrophobicContact CZ-CG 3.79Å; F643-L647 VanDerWaalsContact O-CG 3.31Å; F643-L647 WeakPolarHBondContact O-CG 3.49Å; F643-L647 PolarHBondContact O-N 3.15Å
644	I	81.1	Confident	83.1	Confident	8 Å²	8	30 Å²	30	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-40.9	173.9	-65.3	169.8	0	0	0	110.5	L640 M641 L647 S648 P672 M676	L640-I644 HydrophobicContact CD2-CD1 4.45Å; L640-I644 HydrophobicContact CG-CD1 4.47Å; L640-I644 HydrophobicContact CG-CG1 4.46Å; L640-I644 PolarHBondContact O-N 3.16Å; M641-I644 PolarHBondContact O-N 2.68Å; M641-I644 VanDerWaalsContact O-N 3.15Å; M641-I644 HydrophobicContact SD-CB 4.36Å; M641-I644 HydrophobicContact SD-CD1 3.8Å; I644-L647 PolarHBondContact O-N 2.96Å; I644-S648 WeakPolarHBondContact O-CB 3.36Å; I644-S648 PolarHBondContact O-N 3.2Å; I644-S648 VanDerWaalsContact O-N 3.09Å; I644-S648 PolarHBondContact O-OG 3.2Å; I644-P672 WeakPolarHBondContact CD1-O 3.43Å; I644-M676 HydrophobicContact CD1-CB 4.41Å; I644-M676 HydrophobicContact CD1-CE 4.43Å; I644-M676 HydrophobicContact CD1-SD 4.24Å
645	D	82.3	Confident	82.6	Confident	56 Å²	56	30.2 Å²	30.2	30%	0.299	17%	0.166	S	C	.	.	H	α-helix	trans	-61.8	-49.6	173.2	-70.6	-10.5	0	0	0	110.7	M641 F643 L647 S648 D649 W678	M641-D645 PolarHBondContact O-N 3.23Å; F643-D645 VanDerWaalsContact C-N 3.3Å; F643-D645 PolarHBondContact O-N 3.18Å; D645-L647 VanDerWaalsContact C-N 3.32Å; D645-L647 PolarHBondContact O-N 3.3Å; D645-S648 CarbonylContact O-C 3.35Å; D645-S648 WeakPolarHBondContact O-CA 2.97Å; D645-S648 WeakPolarHBondContact O-CB 3.09Å; D645-S648 PolarHBondContact O-N 3.32Å; D645-D649 WeakPolarHBondContact O-CB 3.47Å; D645-D649 PolarHBondContact O-N 2.95Å; D645-W678 PolarHBondContact OD1-NE1 3.32Å; D645-W678 WeakPolarHBondContact OD2-CZ2 3.34Å; D645-W678 PolarHBondContact OD2-NE1 3.15Å
646	W	84.8	Confident	81.6	Confident	23 Å²	23	31 Å²	31	9%	0.087	17%	0.173	C	C	.	.	H	α-helix	trans	-58	-43.6	177.7	178.7	91.3	0	0	0	112.8	V614 L620 L624 S642 F643 S648 D649 H650 V652	V614-W646 HydrophobicContact CB-CB 4.19Å; V614-W646 HydrophobicContact CB-CG 4.24Å; V614-W646 HydrophobicContact CG1-CB 3.54Å; V614-W646 HydrophobicContact CG1-CD2 3.42Å; V614-W646 VanDerWaalsContact CG1-CD2 3.42Å; V614-W646 HydrophobicContact CG1-CE3 4.09Å; V614-W646 HydrophobicContact CG1-CG 3.12Å; L620-W646 HydrophobicContact CB-CH2 3.44Å; L620-W646 VanDerWaalsContact CB-CH2 3.44Å; L620-W646 HydrophobicContact CB-CZ2 3.58Å; L620-W646 HydrophobicContact CB-CZ3 4.2Å; L620-W646 HydrophobicContact CD1-CE3 4.4Å; L620-W646 HydrophobicContact CD1-CH2 3.68Å; L620-W646 HydrophobicContact CD1-CZ2 4.5Å; L620-W646 HydrophobicContact CD1-CZ3 3.61Å; L620-W646 HydrophobicContact CG-CH2 4.21Å; L624-W646 HydrophobicContact CB-CH2 4.4Å; L624-W646 HydrophobicContact CD2-CH2 4.07Å; S642-W646 WeakPolarHBondContact O-CB 3.26Å; S642-W646 PolarHBondContact O-N 2.71Å; F643-W646 HydrophobicContact CD2-CE3 4.29Å; F643-W646 HydrophobicContact CE2-CE3 4.21Å; F643-W646 HydrophobicContact CE2-CZ3 4.41Å; F643-W646 PolarHBondContact O-N 3.47Å; W646-S648 PolarHBondContact O-N 3.22Å; W646-D649 PolarHBondContact O-N 2.89Å; W646-H650 AromaticContact CD1-CE1 3.18Å; W646-H650 AromaticContact CD1-ND1 3.2Å; W646-H650 AromaticContact CD1-NE2 3.95Å; W646-H650 AromaticContact CD2-ND1 3.97Å; W646-H650 AromaticContact CE2-CG 3.77Å; W646-H650 AromaticContact CE2-ND1 3.74Å; W646-H650 AromaticContact CG-ND1 3.64Å; W646-H650 HydrophobicContact CZ2-CB 4.39Å; W646-H650 AromaticContact NE1-CD2 3.75Å; W646-H650 AromaticContact NE1-CE1 3.16Å; W646-H650 PolarHBondContact NE1-CE1 2.81Å; W646-H650 AromaticContact NE1-CG 3.63Å; W646-H650 AromaticContact NE1-ND1 3.25Å; W646-H650 PolarHBondContact NE1-ND1 3.38Å; W646-H650 AromaticContact NE1-NE2 3.46Å; W646-H650 PolarHBondContact NE1-NE2 3.05Å; W646-H650 VanDerWaalsContact O-CB 3.23Å; W646-H650 WeakPolarHBondContact O-CB 3.49Å; W646-H650 PolarHBondContact O-N 2.79Å; W646-H650 PolarHBondContact O-ND1 3.01Å; W646-V652 HydrophobicContact CH2-CG2 3.79Å; W646-V652 HydrophobicContact CZ3-CB 4.31Å; W646-V652 HydrophobicContact CZ3-CG1 4.45Å; W646-V652 HydrophobicContact CZ3-CG2 3.78Å
647	L	84.3	Confident	80.8	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-34.6	175.5	-74.4	176.6	0	0	0	111.8	R57 L627 F643 I644 D645 V651 V652 V673	R57-L647 PolarHBondContact NH2-O 3.34Å; L627-L647 HydrophobicContact CD2-CD2 4.21Å; F643-L647 HydrophobicContact CD1-CD1 4.08Å; F643-L647 HydrophobicContact CD2-CG 4.22Å; F643-L647 HydrophobicContact CE1-CD1 3.55Å; F643-L647 HydrophobicContact CE1-CG 4.16Å; F643-L647 HydrophobicContact CE2-CD1 4.13Å; F643-L647 HydrophobicContact CE2-CD2 3.85Å; F643-L647 HydrophobicContact CE2-CG 3.81Å; F643-L647 HydrophobicContact CZ-CD1 3.58Å; F643-L647 HydrophobicContact CZ-CD2 3.85Å; F643-L647 HydrophobicContact CZ-CG 3.79Å; F643-L647 VanDerWaalsContact O-CG 3.31Å; F643-L647 WeakPolarHBondContact O-CG 3.49Å; F643-L647 PolarHBondContact O-N 3.15Å; I644-L647 PolarHBondContact O-N 2.96Å; D645-L647 VanDerWaalsContact C-N 3.32Å; D645-L647 PolarHBondContact O-N 3.3Å; L647-V651 WeakPolarHBondContact O-CA 3.31Å; L647-V651 PolarHBondContact O-N 3.31Å; L647-V651 VanDerWaalsContact O-N 3.11Å; L647-V652 HydrophobicContact CD2-CB 3.69Å; L647-V652 HydrophobicContact CD2-CG1 3.76Å; L647-V652 PolarHBondContact O-N 2.97Å; L647-V673 HydrophobicContact CD1-CG2 3.7Å
648	S	80	Confident	80.6	Confident	50 Å²	50	39.6 Å²	39.6	35%	0.35	22%	0.217	S	C	.	.	H	α-helix	trans	-78	-50.4	-179.6	-57.4	0	0	0	0	111.1	I644 D645 W646 H650 V651	I644-S648 WeakPolarHBondContact O-CB 3.36Å; I644-S648 PolarHBondContact O-N 3.2Å; I644-S648 VanDerWaalsContact O-N 3.09Å; I644-S648 PolarHBondContact O-OG 3.2Å; D645-S648 CarbonylContact O-C 3.35Å; D645-S648 WeakPolarHBondContact O-CA 2.97Å; D645-S648 WeakPolarHBondContact O-CB 3.09Å; D645-S648 PolarHBondContact O-N 3.32Å; W646-S648 PolarHBondContact O-N 3.22Å; S648-H650 PolarHBondContact O-N 2.02Å; S648-V651 PolarHBondContact O-N 2.95Å; S648-V651 VanDerWaalsContact O-N 3.07Å
649	D	82.4	Confident	80.9	Confident	129 Å²	129	38.8 Å²	38.8	69%	0.69	21%	0.212	S	C	*	.	H	α-helix	trans	-57.7	-37.4	176.1	-71	-13.4	0	0	0	112.1	D645 W646	D645-D649 WeakPolarHBondContact O-CB 3.47Å; D645-D649 PolarHBondContact O-N 2.95Å; W646-D649 PolarHBondContact O-N 2.89Å
650	H	82	Confident	81.4	Confident	52 Å²	52	35.5 Å²	35.5	24%	0.241	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	4.9	-179.6	-64.6	72.8	0	0	0	113	K34 W646 S648 V652	K34-H650 WeakPolarHBondContact CD-O 3.32Å; K34-H650 WeakPolarHBondContact CE-O 3.45Å; K34-H650 PolarHBondContact NZ-O 3.32Å; W646-H650 AromaticContact CD1-CE1 3.18Å; W646-H650 AromaticContact CD1-ND1 3.2Å; W646-H650 AromaticContact CD1-NE2 3.95Å; W646-H650 AromaticContact CD2-ND1 3.97Å; W646-H650 AromaticContact CE2-CG 3.77Å; W646-H650 AromaticContact CE2-ND1 3.74Å; W646-H650 AromaticContact CG-ND1 3.64Å; W646-H650 HydrophobicContact CZ2-CB 4.39Å; W646-H650 AromaticContact NE1-CD2 3.75Å; W646-H650 AromaticContact NE1-CE1 3.16Å; W646-H650 PolarHBondContact NE1-CE1 2.81Å; W646-H650 AromaticContact NE1-CG 3.63Å; W646-H650 AromaticContact NE1-ND1 3.25Å; W646-H650 PolarHBondContact NE1-ND1 3.38Å; W646-H650 AromaticContact NE1-NE2 3.46Å; W646-H650 PolarHBondContact NE1-NE2 3.05Å; W646-H650 VanDerWaalsContact O-CB 3.23Å; W646-H650 WeakPolarHBondContact O-CB 3.49Å; W646-H650 PolarHBondContact O-N 2.79Å; W646-H650 PolarHBondContact O-ND1 3.01Å; S648-H650 PolarHBondContact O-N 2.02Å; H650-V652 HydrophobicContact CB-CG2 3.83Å; H650-V652 PolarHBondContact O-N 3.2Å; H650-V652 VanDerWaalsContact O-N 3.14Å
651	V	80.4	Confident	81.7	Confident	37 Å²	37	35.5 Å²	35.5	22%	0.224	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	43.3	176.9	-162.4	0	0	0	0	112.4	K34 L647 S648	K34-V651 HydrophobicContact CB-CB 3.7Å; K34-V651 HydrophobicContact CB-CG1 3.95Å; K34-V651 HydrophobicContact CD-CB 4.23Å; L647-V651 WeakPolarHBondContact O-CA 3.31Å; L647-V651 PolarHBondContact O-N 3.31Å; L647-V651 VanDerWaalsContact O-N 3.11Å; S648-V651 PolarHBondContact O-N 2.95Å; S648-V651 VanDerWaalsContact O-N 3.07Å
652	V	84.7	Confident	82.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-88.4	128.3	-179.2	179.1	0	0	0	0	109.2	R57 L624 L627 W646 L647 H650	R57-V652 PolarHBondContact NE-O 3.32Å; R57-V652 PolarHBondContact NH2-O 3.37Å; L624-V652 HydrophobicContact CB-CG2 4.39Å; L624-V652 HydrophobicContact CD2-CG1 4.12Å; L624-V652 HydrophobicContact CG-CG1 4.26Å; L627-V652 HydrophobicContact CB-CG1 3.81Å; W646-V652 HydrophobicContact CH2-CG2 3.79Å; W646-V652 HydrophobicContact CZ3-CB 4.31Å; W646-V652 HydrophobicContact CZ3-CG1 4.45Å; W646-V652 HydrophobicContact CZ3-CG2 3.78Å; L647-V652 HydrophobicContact CD2-CB 3.69Å; L647-V652 HydrophobicContact CD2-CG1 3.76Å; L647-V652 PolarHBondContact O-N 2.97Å; H650-V652 HydrophobicContact CB-CG2 3.83Å; H650-V652 PolarHBondContact O-N 3.2Å; H650-V652 VanDerWaalsContact O-N 3.14Å
653	T	82.7	Confident	82.8	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.5	175	-51.6	0	0	0	0	110.5	H55 R57 V625 Y626 L627	H55-T653 HydrophobicContact CB-CG2 3.99Å; H55-T653 WeakPolarHBondContact O-CG2 3.49Å; R57-T653 HydrophobicContact CG-CG2 4.03Å; V625-T653 PolarHBondContact O-N 3.09Å; Y626-T653 WeakPolarHBondContact CA-O 2.95Å; Y626-T653 HydrophobicContact CD2-CG2 4.4Å; Y626-T653 WeakPolarHBondContact CD2-O 3.41Å; L627-T653 PolarHBondContact N-O 3.48Å
654	L	84.5	Confident	82.9	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	148.1	170.7	-163.1	68.1	0	0	0	111	L627 L629 T656 T659 P672 V673	L627-L654 HydrophobicContact CB-CD1 4.44Å; L627-L654 HydrophobicContact CD2-CD1 4.32Å; L627-L654 HydrophobicContact CG-CD1 4.21Å; L627-L654 WeakPolarHBondContact O-CA 3.47Å; L629-L654 HydrophobicContact CB-CD1 4.07Å; L629-L654 HydrophobicContact CD1-CD1 3.75Å; L629-L654 HydrophobicContact CG-CD1 3.91Å; L654-T656 PolarHBondContact O-N 2.73Å; L654-T659 HydrophobicContact CD1-CG2 4.5Å; L654-T659 HydrophobicContact CD2-CG2 3.67Å; L654-T659 HydrophobicContact CG-CG2 4.09Å; L654-P672 HydrophobicContact CD2-CG 4.07Å; L654-V673 HydrophobicContact CD2-CG2 3.86Å
655	S	80.2	Confident	83	Confident	5 Å²	5	47.2 Å²	47.2	4%	0.035	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-51.2	122.8	165.2	39.5	0	0	0	0	111.5	L627 D628 L629 T659 H671	L627-S655 PolarHBondContact O-N 2.81Å; D628-S655 WeakPolarHBondContact OD1-CB 3.34Å; D628-S655 PolarHBondContact OD1-OG 2.85Å; D628-S655 VanDerWaalsContact OD1-OG 3.13Å; L629-S655 PolarHBondContact N-OG 2.89Å; L629-S655 VanDerWaalsContact N-OG 3.14Å; S655-T659 WeakPolarHBondContact O-CB 3.42Å; S655-T659 PolarHBondContact O-OG1 3.36Å; S655-T659 PolarHBondContact OG-OG1 3.24Å; S655-H671 PolarHBondContact O-NE2 3.34Å
656	T	68	Low	82.9	Confident	50 Å²	50	48 Å²	48	31%	0.307	27%	0.267	S	S	.	.	S	Bend	trans	-78.9	-39.6	-176.7	31.2	0	0	0	0	114.6	Q85 L654	Q85-T656 HydrophobicContact CG-CG2 3.95Å; L654-T656 PolarHBondContact O-N 2.73Å
657	F	69	Low	82.7	Confident	169 Å²	169	47 Å²	47	74%	0.741	26%	0.263	S	S	*	.	S	Bend	trans	-91.4	138.9	-178.7	-64.1	-75	0	0	0	109.1	T659	F657-T659 PolarHBondContact O-N 2.02Å
658	G	81.1	Confident	82.8	Confident	33 Å²	33	52.3 Å²	52.3	34%	0.34	28%	0.284	S	S	.	.	S	Bend	trans	70.8	-3.9	174.5	0	0	0	0	0	116.9	G631 I660	G631-G658 PolarHBondContact N-O 2.99Å; G631-G658 VanDerWaalsContact N-O 3.16Å; G658-I660 PolarHBondContact O-N 2.8Å
659	T	87.2	Confident	83	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	30%	0.295	C	S	.	.			trans	-86.3	98.2	170	-52.7	0	0	0	0	109.6	L629 E630 L634 L654 S655 F657 H671 P672	L629-T659 HydrophobicContact CB-CG2 3.98Å; E630-T659 WeakPolarHBondContact CA-OG1 3.28Å; E630-T659 PolarHBondContact N-OG1 2.73Å; L634-T659 HydrophobicContact CD1-CG2 3.92Å; L654-T659 HydrophobicContact CD1-CG2 4.5Å; L654-T659 HydrophobicContact CD2-CG2 3.67Å; L654-T659 HydrophobicContact CG-CG2 4.09Å; S655-T659 WeakPolarHBondContact O-CB 3.42Å; S655-T659 PolarHBondContact O-OG1 3.36Å; S655-T659 PolarHBondContact OG-OG1 3.24Å; F657-T659 PolarHBondContact O-N 2.02Å; T659-H671 PolarHBondContact O-CD2 3.39Å; T659-P672 HydrophobicContact CG2-CG 4.17Å; T659-P672 WeakPolarHBondContact O-CD 2.93Å
660	I	89.7	Confident	83.1	Confident	63 Å²	63	54 Å²	54	32%	0.323	28%	0.278	S	S	.	.			trans	-129.5	152.5	-172.3	56.3	165.9	0	0	0	111.6	G658 Y669 L670	G658-I660 PolarHBondContact O-N 2.8Å; I660-Y669 HydrophobicContact CD1-CD1 3.71Å; I660-Y669 HydrophobicContact CD1-CE1 4.35Å; I660-L670 CarbonylContact C-O 3.6Å; I660-L670 VanDerWaalsContact CA-O 3.31Å; I660-L670 WeakPolarHBondContact CA-O 3.22Å
661	C	89.5	Confident	83.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.007	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	135.3	170.8	-64.1	0	0	0	0	110.7	C636 L667 R668 Y669 L670	C636-C661 HydrophobicContact CB-CB 3.57Å; C636-C661 WeakPolarHBondContact CB-SG 3.44Å; C636-C661 WeakPolarHBondContact SG-CA 3.48Å; C636-C661 WeakPolarHBondContact SG-CB 3.06Å; C636-C661 CovalentContact SG-SG 2.02Å; C636-C661 PolarHBondContact SG-SG 2.85Å; C661-L667 HydrophobicContact CB-CB 4.07Å; C661-L667 VanDerWaalsContact CB-O 3.22Å; C661-L667 WeakPolarHBondContact CB-O 3.42Å; C661-R668 WeakPolarHBondContact O-CA 3.26Å; C661-Y669 PolarHBondContact O-N 3.37Å; C661-L670 PolarHBondContact N-O 3.31Å; C661-L670 PolarHBondContact SG-O 2.98Å; C661-L670 VanDerWaalsContact SG-O 3.39Å
662	Y	91.3	Very high	83.1	Confident	124 Å²	124	50.5 Å²	50.5	49%	0.486	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-42.1	175.6	-171.1	-97.6	0	0	0	111.6	P633 L634	P633-Y662 HydrophobicContact CB-CD1 3.99Å; P633-Y662 HydrophobicContact CB-CD2 4.44Å; P633-Y662 HydrophobicContact CB-CG 3.92Å; L634-Y662 PolarHBondContact O-N 3Å
663	T	88.7	Confident	82.7	Confident	47 Å²	47	51.3 Å²	51.3	29%	0.288	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156	170.7	52.2	0	0	0	0	111.1	L634 D635 C636	L634-T663 PolarHBondContact O-N 3.4Å; D635-T663 CarbonylContact C-O 3.19Å; D635-T663 VanDerWaalsContact CA-OG1 3.3Å; D635-T663 WeakPolarHBondContact CA-OG1 3.41Å; D635-T663 VanDerWaalsContact CB-OG1 3.31Å; D635-T663 WeakPolarHBondContact CB-OG1 3.25Å; D635-T663 VanDerWaalsContact CG-OG1 3.3Å; D635-T663 WeakPolarHBondContact OD1-CB 3Å; D635-T663 PolarHBondContact OD1-OG1 3.42Å; C636-T663 WeakPolarHBondContact CA-O 3.33Å; C636-T663 WeakPolarHBondContact CB-O 3.46Å; C636-T663 PolarHBondContact N-O 2.97Å
664	P	87.1	Confident	82.1	Confident	33 Å²	33	58.6 Å²	58.6	21%	0.214	29%	0.292	C	S	.	.	S	Bend	cis	-67.2	162.9	-11.8	30.4	-35.7	0	0	0	112.3	S666 L667	P664-S666 PolarHBondContact O-N 3.46Å; P664-S666 VanDerWaalsContact O-N 3.07Å; P664-L667 HydrophobicContact CG-CD1 4.13Å; P664-L667 HydrophobicContact CG-CG 4.07Å; P664-L667 PolarHBondContact O-N 2.97Å
665	P	82.7	Confident	81.3	Confident	111 Å²	111	60.2 Å²	60.2	72%	0.721	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-53.9	-29.7	-177.7	-28.4	35.5	0	0	0	115.2	L667 R668	P665-L667 PolarHBondContact O-N 3.24Å; P665-R668 WeakPolarHBondContact O-CB 3.28Å; P665-R668 PolarHBondContact O-N 2.8Å
666	S	80.3	Confident	80.8	Confident	73 Å²	73	60.1 Å²	60.1	51%	0.51	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-64.7	-23.7	177.1	49.9	0	0	0	0	113.9	P664	P664-S666 PolarHBondContact O-N 3.46Å; P664-S666 VanDerWaalsContact O-N 3.07Å
667	L	82.3	Confident	80.7	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-104.6	2.4	179.4	-55.4	-174.9	0	0	0	113.2	C636 C661 P664 P665 Y669 L670 M676 W690	C636-L667 HydrophobicContact CB-CD1 3.91Å; C636-L667 WeakPolarHBondContact O-CD1 3.49Å; C661-L667 HydrophobicContact CB-CB 4.07Å; C661-L667 VanDerWaalsContact CB-O 3.22Å; C661-L667 WeakPolarHBondContact CB-O 3.42Å; P664-L667 HydrophobicContact CG-CD1 4.13Å; P664-L667 HydrophobicContact CG-CG 4.07Å; P664-L667 PolarHBondContact O-N 2.97Å; P665-L667 PolarHBondContact O-N 3.24Å; L667-Y669 PolarHBondContact O-N 3.09Å; L667-L670 HydrophobicContact CB-CD1 4.39Å; L667-L670 HydrophobicContact CD2-CD1 3.93Å; L667-L670 VanDerWaalsContact O-CB 3.26Å; L667-L670 WeakPolarHBondContact O-CB 3.49Å; L667-L670 WeakPolarHBondContact O-CG 2.97Å; L667-L670 PolarHBondContact O-N 3.35Å; L667-M676 HydrophobicContact CD1-CE 4.02Å; L667-M676 HydrophobicContact CD1-SD 4.39Å; L667-W690 HydrophobicContact CD1-CD2 3.8Å; L667-W690 HydrophobicContact CD1-CG 3.83Å; L667-W690 HydrophobicContact CD1-CZ2 4.1Å; L667-W690 HydrophobicContact CD2-CD2 3.53Å; L667-W690 HydrophobicContact CD2-CE3 3.39Å; L667-W690 HydrophobicContact CD2-CG 4.28Å; L667-W690 HydrophobicContact CD2-CH2 3.47Å; L667-W690 VanDerWaalsContact CD2-CH2 3.47Å; L667-W690 HydrophobicContact CD2-CZ2 3.65Å; L667-W690 HydrophobicContact CD2-CZ3 3.35Å; L667-W690 HydrophobicContact CG-CD2 4.13Å; L667-W690 HydrophobicContact CG-CE3 4.4Å; L667-W690 HydrophobicContact CG-CG 4.41Å
668	R	85.3	Confident	80.5	Confident	112 Å²	112	58.1 Å²	58.1	42%	0.423	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	134.3	-173.5	-165.8	177.1	174.1	165.2	-1.8	110.1	C661 P665 L670	C661-R668 WeakPolarHBondContact O-CA 3.26Å; P665-R668 WeakPolarHBondContact O-CB 3.28Å; P665-R668 PolarHBondContact O-N 2.8Å; R668-L670 PolarHBondContact O-N 3.33Å
669	Y	84.3	Confident	79.6	Confident	150 Å²	150	60.2 Å²	60.2	59%	0.588	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	0.3	-177.7	-44.4	-69	0	0	0	116.3	I660 C661 L667	I660-Y669 HydrophobicContact CD1-CD1 3.71Å; I660-Y669 HydrophobicContact CD1-CE1 4.35Å; C661-Y669 PolarHBondContact O-N 3.37Å; L667-Y669 PolarHBondContact O-N 3.09Å
670	L	84.8	Confident	78.5	Confident	63 Å²	63	60.2 Å²	60.2	33%	0.33	30%	0.295	S	S	.	.			trans	-82	153.3	171.4	-58.7	-176.7	0	0	0	111.4	I660 C661 L667 R668 D675	I660-L670 CarbonylContact C-O 3.6Å; I660-L670 VanDerWaalsContact CA-O 3.31Å; I660-L670 WeakPolarHBondContact CA-O 3.22Å; C661-L670 PolarHBondContact N-O 3.31Å; C661-L670 PolarHBondContact SG-O 2.98Å; C661-L670 VanDerWaalsContact SG-O 3.39Å; L667-L670 HydrophobicContact CB-CD1 4.39Å; L667-L670 HydrophobicContact CD2-CD1 3.93Å; L667-L670 VanDerWaalsContact O-CB 3.26Å; L667-L670 WeakPolarHBondContact O-CB 3.49Å; L667-L670 WeakPolarHBondContact O-CG 2.97Å; L667-L670 PolarHBondContact O-N 3.35Å; R668-L670 PolarHBondContact O-N 3.33Å; L670-D675 HydrophobicContact CB-CB 3.98Å
671	H	83.4	Confident	77.4	Confident	15 Å²	15	58 Å²	58	7%	0.069	29%	0.285	C	S	.	.			trans	-88.7	125.8	178	-177.6	-83.8	0	0	0	110.9	S655 T659 V673 R674 D675	S655-H671 PolarHBondContact O-NE2 3.34Å; T659-H671 PolarHBondContact O-CD2 3.39Å; H671-V673 VanDerWaalsContact C-N 3.35Å; H671-V673 PolarHBondContact ND1-N 2.9Å; H671-V673 PolarHBondContact O-N 2.68Å; H671-R674 HydrophobicContact CB-CB 4.08Å; H671-R674 PolarHBondContact ND1-N 3.25Å; H671-R674 PolarHBondContact O-N 3.44Å; H671-D675 PolarHBondContact N-OD2 2.85Å; H671-D675 WeakPolarHBondContact O-CB 3.38Å; H671-D675 PolarHBondContact O-N 3.17Å
672	P	78.7	Confident	75.8	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-36.5	-167.4	20.9	-32.5	0	0	0	114.4	L634 L640 I644 L654 T659 M676	L634-P672 HydrophobicContact CD1-CG 4.4Å; L640-P672 HydrophobicContact CD2-CB 3.76Å; I644-P672 WeakPolarHBondContact CD1-O 3.43Å; L654-P672 HydrophobicContact CD2-CG 4.07Å; T659-P672 HydrophobicContact CG2-CG 4.17Å; T659-P672 WeakPolarHBondContact O-CD 2.93Å; P672-M676 HydrophobicContact CB-SD 4.1Å; P672-M676 VanDerWaalsContact O-CB 3.3Å; P672-M676 WeakPolarHBondContact O-CB 3.36Å; P672-M676 WeakPolarHBondContact O-CG 3.42Å
673	V	76.3	Confident	74	Confident	18 Å²	18	62.6 Å²	62.6	11%	0.109	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-26.3	-178.3	-179.4	0	0	0	0	112.6	L647 L654 H671	L647-V673 HydrophobicContact CD1-CG2 3.7Å; L654-V673 HydrophobicContact CD2-CG2 3.86Å; H671-V673 VanDerWaalsContact C-N 3.35Å; H671-V673 PolarHBondContact ND1-N 2.9Å; H671-V673 PolarHBondContact O-N 2.68Å
674	R	69.2	Low	72.1	Confident	154 Å²	154	64.7 Å²	64.7	58%	0.581	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-37	-171.4	-173.2	-172.5	65.5	-155.9	-9.6	111	H671	H671-R674 HydrophobicContact CB-CB 4.08Å; H671-R674 PolarHBondContact ND1-N 3.25Å; H671-R674 PolarHBondContact O-N 3.44Å
675	D	69.2	Low	70.1	Confident	40 Å²	40	66 Å²	66	21%	0.214	35%	0.345	C	S	.	.	S	Bend	trans	-110	-3.8	-165.1	-54.7	-27.7	0	0	0	112.3	L670 H671	L670-D675 HydrophobicContact CB-CB 3.98Å; H671-D675 PolarHBondContact N-OD2 2.85Å; H671-D675 WeakPolarHBondContact O-CB 3.38Å; H671-D675 PolarHBondContact O-N 3.17Å
676	M	68.2	Low	68.1	Low	4 Å²	4	67.7 Å²	67.7	2%	0.02	35%	0.353	C	S	.	.			trans	-112.4	147.9	-179.9	-53.4	175.4	61.1	0	0	114.3	C636 L640 M641 I644 L667 P672 W690	C636-M676 HydrophobicContact CB-CE 3.79Å; C636-M676 HydrophobicContact CB-SD 3.53Å; C636-M676 VanDerWaalsContact CB-SD 3.53Å; C636-M676 WeakPolarHBondContact O-CE 3.31Å; L640-M676 HydrophobicContact CD2-SD 4.47Å; M641-M676 HydrophobicContact CE-CE 4.2Å; I644-M676 HydrophobicContact CD1-CB 4.41Å; I644-M676 HydrophobicContact CD1-CE 4.43Å; I644-M676 HydrophobicContact CD1-SD 4.24Å; L667-M676 HydrophobicContact CD1-CE 4.02Å; L667-M676 HydrophobicContact CD1-SD 4.39Å; P672-M676 HydrophobicContact CB-SD 4.1Å; P672-M676 VanDerWaalsContact O-CB 3.3Å; P672-M676 WeakPolarHBondContact O-CB 3.36Å; P672-M676 WeakPolarHBondContact O-CG 3.42Å; M676-W690 HydrophobicContact CB-CZ2 4.01Å; M676-W690 HydrophobicContact CG-CZ2 3.93Å
677	C	65.7	Low	66.6	Low	28 Å²	28	66.9 Å²	66.9	19%	0.189	36%	0.356	C	S	.	.			trans	-135.2	154.8	177.2	-64.6	0	0	0	0	112.2	M641 S679 T680 C696	M641-C677 WeakPolarHBondContact CE-O 3.34Å; C677-S679 WeakPolarHBondContact CB-OG 3.3Å; C677-S679 PolarHBondContact O-N 3.3Å; C677-T680 PolarHBondContact O-N 2.76Å; C677-T680 PolarHBondContact O-OG1 3.47Å; C677-C696 HydrophobicContact CB-CB 4.45Å; C677-C696 WeakPolarHBondContact CB-SG 3.44Å; C677-C696 PolarHBondContact N-SG 3.01Å; C677-C696 WeakPolarHBondContact SG-CB 3.47Å; C677-C696 CovalentContact SG-SG 2.02Å; C677-C696 PolarHBondContact SG-SG 2.67Å
678	W	64.6	Low	65	Low	148 Å²	148	72.6 Å²	72.6	56%	0.561	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-57.4	-35.4	168.9	-90.9	95.3	0	0	0	113.4	M641 D645 T680 C681	M641-W678 HydrophobicContact CB-CD2 4.44Å; M641-W678 HydrophobicContact CB-CH2 4.23Å; M641-W678 HydrophobicContact CB-CZ2 3.83Å; M641-W678 HydrophobicContact CG-CD2 3.43Å; M641-W678 VanDerWaalsContact CG-CD2 3.43Å; M641-W678 HydrophobicContact CG-CE3 4.1Å; M641-W678 HydrophobicContact CG-CG 3.71Å; M641-W678 HydrophobicContact CG-CH2 4.17Å; M641-W678 HydrophobicContact CG-CZ2 3.5Å; M641-W678 VanDerWaalsContact CG-CZ2 3.5Å; M641-W678 HydrophobicContact CG-CZ3 4.44Å; M641-W678 HydrophobicContact SD-CG 4.24Å; D645-W678 PolarHBondContact OD1-NE1 3.32Å; D645-W678 WeakPolarHBondContact OD2-CZ2 3.34Å; D645-W678 PolarHBondContact OD2-NE1 3.15Å; W678-T680 PolarHBondContact O-N 2.74Å; W678-T680 VanDerWaalsContact O-N 3.17Å; W678-C681 WeakPolarHBondContact O-CB 3.41Å; W678-C681 PolarHBondContact O-N 3.21Å
679	S	63.7	Low	63.3	Low	77 Å²	77	76.3 Å²	76.3	54%	0.538	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-63	-22	-177.1	55.2	0	0	0	0	113.9	C677 C681 L694	C677-S679 WeakPolarHBondContact CB-OG 3.3Å; C677-S679 PolarHBondContact O-N 3.3Å; S679-C681 VanDerWaalsContact C-N 3.26Å; S679-L694 WeakPolarHBondContact O-CD1 3.2Å
680	T	64	Low	61.6	Low	1 Å²	1	71.1 Å²	71.1	1%	0.006	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-82.4	-6.5	176.5	62.9	0	0	0	0	112.7	C677 W678 W690 D691 L694	C677-T680 PolarHBondContact O-N 2.76Å; C677-T680 PolarHBondContact O-OG1 3.47Å; W678-T680 PolarHBondContact O-N 2.74Å; W678-T680 VanDerWaalsContact O-N 3.17Å; T680-W690 HydrophobicContact CG2-CD2 4.46Å; T680-W690 HydrophobicContact CG2-CE3 4.33Å; T680-W690 HydrophobicContact CG2-CH2 3.99Å; T680-W690 HydrophobicContact CG2-CZ2 4.04Å; T680-W690 HydrophobicContact CG2-CZ3 4.12Å; T680-W690 WeakPolarHBondContact OG1-CZ2 3.39Å; T680-W690 PolarHBondContact OG1-NE1 3.29Å; T680-W690 VanDerWaalsContact OG1-NE1 3.09Å; T680-D691 PolarHBondContact O-N 2.83Å; T680-D691 VanDerWaalsContact O-N 3.12Å; T680-L694 HydrophobicContact CG2-CB 3.96Å; T680-L694 VanDerWaalsContact CG2-O 3.28Å; T680-L694 WeakPolarHBondContact CG2-O 2.97Å
681	C	65.3	Low	60.3	Low	18 Å²	18	71.8 Å²	71.8	12%	0.122	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-101	95.3	177.3	-76.5	0	0	0	0	110.4	C638 W678 S679	C638-C681 WeakPolarHBondContact CA-SG 3.49Å; C638-C681 HydrophobicContact CB-CB 3.86Å; C638-C681 WeakPolarHBondContact CB-SG 2.97Å; C638-C681 VanDerWaalsContact SG-CA 3.53Å; C638-C681 WeakPolarHBondContact SG-CB 3.34Å; C638-C681 CovalentContact SG-SG 2.03Å; C638-C681 PolarHBondContact SG-SG 2.97Å; W678-C681 WeakPolarHBondContact O-CB 3.41Å; W678-C681 PolarHBondContact O-N 3.21Å; S679-C681 VanDerWaalsContact C-N 3.26Å
682	H	56.8	Low	58.8	Low	100 Å²	100	74.6 Å²	74.6	46%	0.463	40%	0.401	S	S	.	.			trans	-85.2	125.3	-177.7	-152.6	-85.3	0	0	0	111.7	S684 V685	H682-S684 VanDerWaalsContact C-N 3.3Å; H682-S684 PolarHBondContact CE1-OG 3.12Å; H682-S684 PolarHBondContact ND1-N 3.07Å; H682-S684 PolarHBondContact ND1-OG 2.03Å; H682-S684 PolarHBondContact O-N 3.34Å; H682-V685 HydrophobicContact CB-CG2 4.28Å
683	P	53.2	Low	57.4	Low	120 Å²	120	78.5 Å²	78.5	78%	0.779	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.7	179.7	-20.2	31.2	0	0	0	114	V685	P683-V685 VanDerWaalsContact C-N 3.32Å; P683-V685 PolarHBondContact O-N 3.4Å
684	S	49.6	Very low	56	Low	91 Å²	91	81.5 Å²	81.5	64%	0.636	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.9	-173.2	76.9	0	0	0	0	115	H682	H682-S684 VanDerWaalsContact C-N 3.3Å; H682-S684 PolarHBondContact CE1-OG 3.12Å; H682-S684 PolarHBondContact ND1-N 3.07Å; H682-S684 PolarHBondContact ND1-OG 2.03Å; H682-S684 PolarHBondContact O-N 3.34Å
685	V	44	Very low	54.6	Low	60 Å²	60	84.5 Å²	84.5	36%	0.364	46%	0.457	S	S	.	.	S	Bend	trans	-91.1	110.8	172.3	-176.6	0	0	0	0	107.5	H682 P683 G687 H688 R689	H682-V685 HydrophobicContact CB-CG2 4.28Å; P683-V685 VanDerWaalsContact C-N 3.32Å; P683-V685 PolarHBondContact O-N 3.4Å; V685-G687 PolarHBondContact O-N 2.95Å; V685-H688 PolarHBondContact O-N 3.15Å; V685-H688 VanDerWaalsContact O-N 3.15Å; V685-R689 HydrophobicContact CG1-CB 4.12Å; V685-R689 HydrophobicContact CG1-CG 4.47Å
686	T	41.4	Very low	53.8	Low	147 Å²	147	84.3 Å²	84.3	90%	0.902	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	110.4	171.4	42.1	0	0	0	0	108.8
687	G	47.6	Very low	52.4	Low	56 Å²	56	93.3 Å²	93.3	58%	0.577	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	46.1	-173.7	0	0	0	0	0	115.2	V685 R689	V685-G687 PolarHBondContact O-N 2.95Å; G687-R689 VanDerWaalsContact C-N 3.28Å; G687-R689 WeakPolarHBondContact O-CG 3.48Å; G687-R689 PolarHBondContact O-N 3.42Å
688	H	49.9	Very low	51	Low	122 Å²	122	96.2 Å²	96.2	57%	0.565	52%	0.516	S	S	*	.			trans	33.9	51.6	155.6	-62.7	-63.4	0	0	0	115.6	C638 V685	C638-H688 HydrophobicContact CB-CB 4.05Å; V685-H688 PolarHBondContact O-N 3.15Å; V685-H688 VanDerWaalsContact O-N 3.15Å
689	R	49.4	Very low	49.8	Very low	189 Å²	189	94.3 Å²	94.3	71%	0.713	52%	0.515	S	S	*	.			trans	-86.8	140.6	-178.6	-77.8	-174.3	179.4	-178.2	0.3	110.5	V685 G687	V685-R689 HydrophobicContact CG1-CB 4.12Å; V685-R689 HydrophobicContact CG1-CG 4.47Å; G687-R689 VanDerWaalsContact C-N 3.28Å; G687-R689 WeakPolarHBondContact O-CG 3.48Å; G687-R689 PolarHBondContact O-N 3.42Å
690	W	49.4	Very low	48.1	Very low	41 Å²	41	96.4 Å²	96.4	16%	0.155	53%	0.525	C	S	.	.	B	Isolated β-bridge	trans	-79	130.9	177	-140.5	88.7	0	0	0	110.7	L667 M676 T680	L667-W690 HydrophobicContact CD1-CD2 3.8Å; L667-W690 HydrophobicContact CD1-CG 3.83Å; L667-W690 HydrophobicContact CD1-CZ2 4.1Å; L667-W690 HydrophobicContact CD2-CD2 3.53Å; L667-W690 HydrophobicContact CD2-CE3 3.39Å; L667-W690 HydrophobicContact CD2-CG 4.28Å; L667-W690 HydrophobicContact CD2-CH2 3.47Å; L667-W690 VanDerWaalsContact CD2-CH2 3.47Å; L667-W690 HydrophobicContact CD2-CZ2 3.65Å; L667-W690 HydrophobicContact CD2-CZ3 3.35Å; L667-W690 HydrophobicContact CG-CD2 4.13Å; L667-W690 HydrophobicContact CG-CE3 4.4Å; L667-W690 HydrophobicContact CG-CG 4.41Å; M676-W690 HydrophobicContact CB-CZ2 4.01Å; M676-W690 HydrophobicContact CG-CZ2 3.93Å; T680-W690 HydrophobicContact CG2-CD2 4.46Å; T680-W690 HydrophobicContact CG2-CE3 4.33Å; T680-W690 HydrophobicContact CG2-CH2 3.99Å; T680-W690 HydrophobicContact CG2-CZ2 4.04Å; T680-W690 HydrophobicContact CG2-CZ3 4.12Å; T680-W690 WeakPolarHBondContact OG1-CZ2 3.39Å; T680-W690 PolarHBondContact OG1-NE1 3.29Å; T680-W690 VanDerWaalsContact OG1-NE1 3.09Å
691	D	55.6	Low	46.7	Very low	77 Å²	77	99.5 Å²	99.5	41%	0.412	56%	0.557	S	S	.	*			trans	-101.4	114.4	173.6	-171.1	-14.7	0	0	0	110.9	T680 S693	T680-D691 PolarHBondContact O-N 2.83Å; T680-D691 VanDerWaalsContact O-N 3.12Å; D691-S693 VanDerWaalsContact C-N 3.27Å; D691-S693 PolarHBondContact O-N 3.43Å; D691-S693 WeakPolarHBondContact OD1-CB 3.34Å; D691-S693 PolarHBondContact OD1-N 3.35Å; D691-S693 PolarHBondContact OD1-OG 3.22Å; D691-S693 PolarHBondContact OD2-OG 2.69Å
692	S	52.5	Low	45	Very low	74 Å²	74	104 Å²	104	52%	0.517	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.1	-7.9	-178.4	57.8	0	0	0	0	114.6	L694	S692-L694 PolarHBondContact O-N 2.96Å
693	S	50.2	Low	44.4	Very low	83 Å²	83	104.2 Å²	104.2	58%	0.58	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-13.8	179.6	66	0	0	0	0	113.5	D691	D691-S693 VanDerWaalsContact C-N 3.27Å; D691-S693 PolarHBondContact O-N 3.43Å; D691-S693 WeakPolarHBondContact OD1-CB 3.34Å; D691-S693 PolarHBondContact OD1-N 3.35Å; D691-S693 PolarHBondContact OD1-OG 3.22Å; D691-S693 PolarHBondContact OD2-OG 2.69Å
694	L	47.3	Very low	43.9	Very low	82 Å²	82	103.4 Å²	103.4	43%	0.429	61%	0.605	S	S	.	*	S	Bend	trans	-101.5	87.6	-179.1	-71.3	160.1	0	0	0	110.1	S679 T680 S692	S679-L694 WeakPolarHBondContact O-CD1 3.2Å; T680-L694 HydrophobicContact CG2-CB 3.96Å; T680-L694 VanDerWaalsContact CG2-O 3.28Å; T680-L694 WeakPolarHBondContact CG2-O 2.97Å; S692-L694 PolarHBondContact O-N 2.96Å
695	Y	39.4	Very low	43.6	Very low	217 Å²	217	104.1 Å²	104.1	85%	0.851	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-72.4	130.3	177.3	-72.9	-86.4	0	0	0	112.2
696	C	52.3	Low	43.6	Very low	36 Å²	36	106.6 Å²	106.6	24%	0.243	62%	0.617	C	S	.	*	P	Polyproline II helix	trans	-68.5	132.3	174.8	-69.9	0	0	0	0	112.3	C677	C677-C696 HydrophobicContact CB-CB 4.45Å; C677-C696 WeakPolarHBondContact CB-SG 3.44Å; C677-C696 PolarHBondContact N-SG 3.01Å; C677-C696 WeakPolarHBondContact SG-CB 3.47Å; C677-C696 CovalentContact SG-SG 2.02Å; C677-C696 PolarHBondContact SG-SG 2.67Å
697	K	38.5	Very low	43.7	Very low	192 Å²	192	104.1 Å²	104.1	84%	0.835	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-71.3	138	151.4	-78.4	-178.5	177.8	176.1	0	107.4	I699	K697-I699 PolarHBondContact O-N 2.95Å
698	P	36.1	Very low	43.5	Very low	90 Å²	90	107.3 Å²	107.3	58%	0.584	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-54.3	143.8	179.9	21.8	-31.8	0	0	0	109.9	V700	P698-V700 HydrophobicContact CB-CG2 4.12Å; P698-V700 HydrophobicContact CG-CG2 4.13Å; P698-V700 PolarHBondContact O-N 2.72Å
699	I	39.7	Very low	43	Very low	107 Å²	107	106.3 Å²	106.3	55%	0.549	60%	0.603	S	S	.	*			trans	-63.5	78.4	170.1	-55.3	173.3	0	0	0	107.6	K697	K697-I699 PolarHBondContact O-N 2.95Å
700	V	28.7	Very low	42.5	Very low	121 Å²	121	99.9 Å²	99.9	73%	0.733	60%	0.595	S	S	*	*			trans	-109.2	72.1	163.3	-172.8	0	0	0	0	104	P698	P698-V700 HydrophobicContact CB-CG2 4.12Å; P698-V700 HydrophobicContact CG-CG2 4.13Å; P698-V700 PolarHBondContact O-N 2.72Å
701	G	32.9	Very low	41.9	Very low	66 Å²	66	104.8 Å²	104.8	68%	0.68	63%	0.632	S	S	*	*			trans	-92	113.7	-178.9	0	0	0	0	0	111.1
702	G	30.2	Very low	40.7	Very low	113 Å²	113	107.4 Å²	107.4	100%	1.165	65%	0.652	S	S	*	*			trans	70.2	0	145.2	0	0	0	0	0	118.7	Y60	Y60-G702 VanDerWaalsContact CZ-O 3.26Å; Y60-G702 PolarHBondContact OH-O 3.35Å

Retrieved 702 of 702 residues in 584 ms (Link to these results)

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