A0A087YLZ5_POEFO Loading...

Rab proteins geranylgeranyltransferase component A

Substrate-binding subunit (component A) of the Rab geranylgeranyltransferase (GGTase) complex. Binds unprenylated Rab proteins and presents the substrate peptide to the catalytic component B. The component A is thought to be regenerated by transferring its prenylated Rab back to the donor membrane.

AlphaFold DB , UniProt , Accession A0A087YLZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 657 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	30.7	Very low	240 Å²	240	166.1 Å²	166.1	100%	1.182	83%	0.832	S	S	*	*				0	112.7	0	-74.7	153.3	164.5	0	0	106.5
2	N	28.8	Very low	30.5	Very low	163 Å²	163	157.8 Å²	157.8	87%	0.872	81%	0.808	S	S	*	*			trans	-135.4	107	-176.7	-92.4	21.9	0	0	0	108.8
3	T	30.3	Very low	30.6	Very low	134 Å²	134	151.5 Å²	151.5	82%	0.822	79%	0.788	S	S	*	*			trans	-158.3	75.2	168.6	42.4	0	0	0	0	110.3
4	F	28.8	Very low	30.7	Very low	224 Å²	224	148.4 Å²	148.4	98%	0.982	79%	0.785	S	S	*	*			trans	-147	69.4	164.1	-109.3	-80.4	0	0	0	108
5	S	31.9	Very low	30.6	Very low	113 Å²	113	143.6 Å²	143.6	79%	0.79	78%	0.775	S	S	*	*			trans	-163.1	59.3	-170.7	-178.8	0	0	0	0	112
6	S	31.6	Very low	30.5	Very low	86 Å²	86	141.7 Å²	141.7	60%	0.601	76%	0.764	S	S	*	*	S	Bend	trans	-144.2	-22.9	173.8	53.3	0	0	0	0	114.8	S8	S6-S8 VanDerWaalsContact C-N 3.27Å; S6-S8 PolarHBondContact O-N 3.32Å; S6-S8 VanDerWaalsContact O-N 3.12Å
7	W	29.4	Very low	31	Very low	253 Å²	253	142.4 Å²	142.4	96%	0.958	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	41.9	-175.9	-85.6	48.2	0	0	0	114.3
8	S	29.3	Very low	31.5	Very low	96 Å²	96	139.6 Å²	139.6	67%	0.671	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.5	12.7	-177	59.4	0	0	0	0	115.5	S6	S6-S8 VanDerWaalsContact C-N 3.27Å; S6-S8 PolarHBondContact O-N 3.32Å; S6-S8 VanDerWaalsContact O-N 3.12Å
9	H	29	Very low	32	Very low	150 Å²	150	138.2 Å²	138.2	69%	0.694	76%	0.759	S	S	*	*	S	Bend	trans	-103.4	-34.5	174.4	-84.8	38.6	0	0	0	113.6	R11 A12	H9-R11 VanDerWaalsContact C-N 3.32Å; H9-R11 PolarHBondContact O-N 3.12Å; H9-A12 WeakPolarHBondContact O-CB 3.31Å; H9-A12 PolarHBondContact O-N 3.2Å
10	D	33.6	Very low	33.3	Very low	122 Å²	122	138.8 Å²	138.8	65%	0.652	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-68	-26.2	-168.2	-56.9	-44.5	0	0	0	114.7	A12 S13	D10-A12 PolarHBondContact O-N 3.23Å; D10-S13 VanDerWaalsContact O-CB 3.31Å; D10-S13 WeakPolarHBondContact O-CB 3.46Å; D10-S13 PolarHBondContact O-N 2.83Å
11	R	29.6	Very low	35.3	Very low	246 Å²	246	139 Å²	139	93%	0.928	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-69.8	-9.5	173.6	-73.3	-165.9	179.9	-153	-0.1	114.3	H9	H9-R11 VanDerWaalsContact C-N 3.32Å; H9-R11 PolarHBondContact O-N 3.12Å
12	A	28.2	Very low	37.8	Very low	66 Å²	66	128.4 Å²	128.4	55%	0.545	71%	0.705	S	S	.	*	G	3₁₀ helix	trans	-86.2	-19.3	168.8	0	0	0	0	0	112.8	H9 D10	H9-A12 WeakPolarHBondContact O-CB 3.31Å; H9-A12 PolarHBondContact O-N 3.2Å; D10-A12 PolarHBondContact O-N 3.23Å
13	S	31.1	Very low	40.9	Very low	77 Å²	77	123.5 Å²	123.5	54%	0.538	68%	0.682	S	S	.	*	G	3₁₀ helix	trans	-70.2	-47.8	-175.2	-168.8	0	0	0	0	112.2	D10 A15 N16	D10-S13 VanDerWaalsContact O-CB 3.31Å; D10-S13 WeakPolarHBondContact O-CB 3.46Å; D10-S13 PolarHBondContact O-N 2.83Å; S13-A15 PolarHBondContact O-N 3Å; S13-N16 PolarHBondContact O-N 3.21Å; S13-N16 VanDerWaalsContact O-N 3.09Å
14	S	32.9	Very low	43.9	Very low	108 Å²	108	120.8 Å²	120.8	76%	0.755	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-65.8	-8.5	-177	-49	0	0	0	0	115.3
15	A	28.6	Very low	47.2	Very low	76 Å²	76	113.4 Å²	113.4	63%	0.628	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-94.6	-14.3	176.5	0	0	0	0	0	113.7	S13	S13-A15 PolarHBondContact O-N 3Å
16	N	29.2	Very low	50.3	Low	113 Å²	113	108.4 Å²	108.4	60%	0.604	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-6.3	-172.7	-88.1	6.3	0	0	0	115	S13 A18 T19	S13-N16 PolarHBondContact O-N 3.21Å; S13-N16 VanDerWaalsContact O-N 3.09Å; N16-A18 PolarHBondContact O-N 3.15Å; N16-T19 PolarHBondContact O-N 3.49Å; N16-T19 PolarHBondContact O-OG1 3.03Å; N16-T19 VanDerWaalsContact O-OG1 3.11Å
17	M	38.8	Very low	53.5	Low	154 Å²	154	105.9 Å²	105.9	76%	0.759	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-66.2	-3.3	178	-83.9	-177.9	153.2	0	0	114.7	T19	M17-T19 VanDerWaalsContact C-N 3.26Å; M17-T19 PolarHBondContact O-N 3.01Å
18	A	39.3	Very low	56.8	Low	91 Å²	91	93.9 Å²	93.9	75%	0.752	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-78.7	-5	174.1	0	0	0	0	0	114	N16	N16-A18 PolarHBondContact O-N 3.15Å
19	T	41	Very low	60.1	Low	113 Å²	113	89.3 Å²	89.3	69%	0.693	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-134.6	27.8	-170.4	54.6	0	0	0	0	114.4	N16 M17	N16-T19 PolarHBondContact O-N 3.49Å; N16-T19 PolarHBondContact O-OG1 3.03Å; N16-T19 VanDerWaalsContact O-OG1 3.11Å; M17-T19 VanDerWaalsContact C-N 3.26Å; M17-T19 PolarHBondContact O-N 3.01Å
20	E	58.2	Low	63.4	Low	151 Å²	151	82.1 Å²	82.1	71%	0.706	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-89	129.2	160.3	-65.8	-168	148	0	0	109
21	D	76.1	Confident	66.4	Low	142 Å²	142	76.3 Å²	76.3	76%	0.759	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-69	141.3	172.9	-70.6	-46.1	0	0	0	109.7
22	L	89.1	Confident	69.6	Low	19 Å²	19	64.9 Å²	64.9	10%	0.099	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-61.9	142.3	177.9	-86.2	163.9	0	0	0	110.3	S24 L52 I379 H384 Q407 I409	L22-S24 PolarHBondContact O-N 3.09Å; L22-L52 HydrophobicContact CD2-CD1 3.83Å; L22-I379 HydrophobicContact CD2-CG2 3.97Å; L22-H384 WeakPolarHBondContact CD1-NE2 3.41Å; L22-Q407 PolarHBondContact O-NE2 3.48Å; L22-I409 HydrophobicContact CB-CD1 4.47Å; L22-I409 HydrophobicContact CD1-CD1 4.29Å
23	P	93.6	Very high	72.9	Confident	60 Å²	60	61.8 Å²	61.8	39%	0.39	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-53.3	137.3	168.2	-25.5	34.2	0	0	0	111.2	D25 F26 I379	P23-D25 VanDerWaalsContact C-N 3.25Å; P23-D25 PolarHBondContact O-N 3.26Å; P23-F26 HydrophobicContact CB-CE2 3.86Å; P23-F26 HydrophobicContact CB-CZ 3.87Å; P23-F26 HydrophobicContact CG-CE2 4.35Å; P23-F26 HydrophobicContact CG-CZ 3.9Å; P23-F26 WeakPolarHBondContact O-CE2 3.42Å; P23-I379 HydrophobicContact CG-CD1 4.04Å
24	S	93.3	Very high	76.1	Confident	77 Å²	77	58.3 Å²	58.3	54%	0.538	35%	0.351	S	S	.	.	S	Bend	trans	-84.1	5.9	-177.7	63.3	0	0	0	0	114.1	L22 S410	L22-S24 PolarHBondContact O-N 3.09Å; S24-S410 PolarHBondContact O-N 3.46Å
25	D	96.5	Very high	79.1	Confident	69 Å²	69	53.2 Å²	53.2	37%	0.369	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	126	-173.8	-173.5	82.1	0	0	0	111.4	P23 R50 S410	P23-D25 VanDerWaalsContact C-N 3.25Å; P23-D25 PolarHBondContact O-N 3.26Å; D25-R50 PolarHBondContact O-NH1 3.17Å; D25-R50 IonicContact OD2-CZ 3.77Å; D25-R50 VanDerWaalsContact OD2-CZ 3.22Å; D25-R50 IonicContact OD2-NH1 3.61Å; D25-R50 PolarHBondContact OD2-NH1 2.94Å; D25-R50 IonicContact OD2-NH2 2.86Å; D25-R50 PolarHBondContact OD2-NH2 3.19Å; D25-S410 VanDerWaalsContact OD1-CB 3.31Å; D25-S410 WeakPolarHBondContact OD1-CB 3.48Å
26	F	98.3	Very high	82.4	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	165.5	178	-73.2	-89.8	0	0	0	110.3	P23 R50 L52 I379 I409 S410 C411	P23-F26 HydrophobicContact CB-CE2 3.86Å; P23-F26 HydrophobicContact CB-CZ 3.87Å; P23-F26 HydrophobicContact CG-CE2 4.35Å; P23-F26 HydrophobicContact CG-CZ 3.9Å; P23-F26 WeakPolarHBondContact O-CE2 3.42Å; F26-R50 HydrophobicContact CD1-CB 4.07Å; F26-L52 HydrophobicContact CB-CB 4.49Å; F26-L52 HydrophobicContact CD1-CB 3.74Å; F26-L52 HydrophobicContact CD2-CB 3.81Å; F26-L52 HydrophobicContact CD2-CD2 4.01Å; F26-L52 HydrophobicContact CD2-CG 4.45Å; F26-L52 HydrophobicContact CE1-CB 3.76Å; F26-L52 HydrophobicContact CE1-CD1 4.41Å; F26-L52 HydrophobicContact CE2-CB 3.82Å; F26-L52 HydrophobicContact CE2-CD1 4.17Å; F26-L52 HydrophobicContact CE2-CD2 3.72Å; F26-L52 HydrophobicContact CE2-CG 4.11Å; F26-L52 HydrophobicContact CG-CB 3.76Å; F26-L52 HydrophobicContact CZ-CB 3.8Å; F26-L52 HydrophobicContact CZ-CD1 3.87Å; F26-L52 HydrophobicContact CZ-CD2 4.27Å; F26-L52 HydrophobicContact CZ-CG 4.18Å; F26-I379 HydrophobicContact CE1-CB 4.26Å; F26-I379 HydrophobicContact CE1-CD1 3.96Å; F26-I379 HydrophobicContact CE1-CG1 4.29Å; F26-I379 HydrophobicContact CZ-CB 4.39Å; F26-I379 HydrophobicContact CZ-CD1 3.95Å; F26-I409 HydrophobicContact CD2-CG2 3.66Å; F26-I409 HydrophobicContact CE2-CG2 4.07Å; F26-S410 PolarHBondContact N-O 3.02Å; F26-C411 WeakPolarHBondContact O-CA 3.35Å
27	D	98.2	Very high	85.7	Confident	33 Å²	33	44.3 Å²	44.3	18%	0.176	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-40.6	172.6	-55.9	-50.9	0	0	0	109.9	Q49 R50 S412 H413	D27-Q49 HydrophobicContact CB-CB 4.3Å; D27-R50 PolarHBondContact N-O 2.58Å; D27-R50 IonicContact OD1-CZ 2.58Å; D27-R50 IonicContact OD1-NE 2.68Å; D27-R50 PolarHBondContact OD1-NE 2.99Å; D27-R50 IonicContact OD1-NH2 3.36Å; D27-R50 PolarHBondContact OD1-NH2 2.86Å; D27-R50 WeakPolarHBondContact OD2-CB 3.5Å; D27-R50 VanDerWaalsContact OD2-CG 3.27Å; D27-R50 WeakPolarHBondContact OD2-CG 3.47Å; D27-R50 IonicContact OD2-CZ 2.75Å; D27-R50 PolarHBondContact OD2-N 2.8Å; D27-R50 IonicContact OD2-NE 3.8Å; D27-R50 PolarHBondContact OD2-NE 3.08Å; D27-R50 IonicContact OD2-NH2 3.25Å; D27-S412 WeakPolarHBondContact O-CA 3.45Å; D27-S412 VanDerWaalsContact O-CB 3.28Å; D27-S412 WeakPolarHBondContact O-CB 3.31Å; D27-S412 PolarHBondContact O-N 3.11Å; D27-H413 PolarHBondContact O-N 2.8Å
28	I	98.4	Very high	88.6	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132.7	-178.3	-48.1	178.6	0	0	0	110.8	I30 C44 Q49 R50 V51 L52 H413 V415 I573	I28-I30 HydrophobicContact CG2-CD1 4.25Å; I28-I30 HydrophobicContact CG2-CG1 3.87Å; I28-C44 HydrophobicContact CD1-CB 3.62Å; I28-C44 WeakPolarHBondContact CD1-SG 3.21Å; I28-Q49 HydrophobicContact CD1-CB 4.28Å; I28-Q49 HydrophobicContact CD1-CG 4.24Å; I28-R50 PolarHBondContact N-O 3.2Å; I28-V51 WeakPolarHBondContact O-CA 3.47Å; I28-L52 PolarHBondContact O-N 3.03Å; I28-H413 WeakPolarHBondContact CA-O 3.43Å; I28-H413 HydrophobicContact CG1-CB 4.38Å; I28-H413 HydrophobicContact CG2-CB 4.37Å; I28-V415 HydrophobicContact CG2-CG2 4.17Å; I28-I573 HydrophobicContact CD1-CD1 4.38Å; I28-I573 HydrophobicContact CD1-CG2 3.91Å
29	V	98.6	Very high	91.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.8	169	173.1	0	0	0	0	109.4	L31 L52 L54 V401 C411 H413 I414 V415	V29-L31 HydrophobicContact CG1-CD2 3.76Å; V29-L31 HydrophobicContact CG1-CG 4.47Å; V29-L52 CarbonylContact C-O 3.55Å; V29-L52 WeakPolarHBondContact CA-O 3.21Å; V29-L52 HydrophobicContact CG2-CB 4.27Å; V29-L52 HydrophobicContact CG2-CD2 4.37Å; V29-L54 HydrophobicContact CG1-CD1 4.48Å; V29-V401 HydrophobicContact CG1-CG1 4.26Å; V29-V401 HydrophobicContact CG1-CG2 4.32Å; V29-V401 HydrophobicContact CG2-CG2 4.48Å; V29-C411 HydrophobicContact CB-CB 4.26Å; V29-C411 HydrophobicContact CG2-CB 3.6Å; V29-H413 PolarHBondContact N-O 2.99Å; V29-I414 HydrophobicContact CB-CG1 4.49Å; V29-I414 CarbonylContact O-C 3.35Å; V29-I414 VanDerWaalsContact O-CA 3.28Å; V29-I414 WeakPolarHBondContact O-CA 3.48Å; V29-V415 PolarHBondContact O-N 3.33Å
30	I	98.6	Very high	94.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.4	-175.6	-54.2	-175.2	0	0	0	109.5	I28 E37 V40 A41 V51 L52 H53 L54 V415	I28-I30 HydrophobicContact CG2-CD1 4.25Å; I28-I30 HydrophobicContact CG2-CG1 3.87Å; I30-E37 HydrophobicContact CG2-CB 3.96Å; I30-V40 HydrophobicContact CD1-CG1 4.3Å; I30-A41 HydrophobicContact CD1-CB 3.59Å; I30-V51 HydrophobicContact CD1-CG1 3.68Å; I30-V51 HydrophobicContact CG1-CG1 4.1Å; I30-L52 PolarHBondContact N-O 3.05Å; I30-H53 WeakPolarHBondContact CG2-NE2 3.48Å; I30-H53 WeakPolarHBondContact O-CA 3.32Å; I30-L54 PolarHBondContact O-N 3.28Å; I30-V415 CarbonylContact C-O 3.55Å; I30-V415 VanDerWaalsContact CA-O 3.26Å; I30-V415 WeakPolarHBondContact CA-O 3.39Å; I30-V415 HydrophobicContact CG1-CB 4.16Å; I30-V415 HydrophobicContact CG1-CG2 4.41Å; I30-V415 HydrophobicContact CG2-CB 4.31Å
31	L	97.4	Very high	96.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.1	-174.8	-48	-178.7	0	0	0	111.4	V29 L54 L104 V386 V415 M416 E417 Y420	V29-L31 HydrophobicContact CG1-CD2 3.76Å; V29-L31 HydrophobicContact CG1-CG 4.47Å; L31-L54 HydrophobicContact CD2-CB 4Å; L31-L54 HydrophobicContact CD2-CD1 3.89Å; L31-L54 HydrophobicContact CD2-CG 4.3Å; L31-L104 HydrophobicContact CD1-CD1 3.54Å; L31-V386 HydrophobicContact CD1-CB 4.19Å; L31-V386 HydrophobicContact CD1-CG1 4.42Å; L31-V386 HydrophobicContact CD1-CG2 4.47Å; L31-V386 HydrophobicContact CD2-CB 4.25Å; L31-V386 HydrophobicContact CD2-CG2 3.69Å; L31-V415 PolarHBondContact N-O 2.79Å; L31-M416 HydrophobicContact CB-CB 3.79Å; L31-M416 HydrophobicContact CD1-CB 4.16Å; L31-M416 HydrophobicContact CD1-CE 4.19Å; L31-M416 HydrophobicContact CG-CB 4.23Å; L31-M416 WeakPolarHBondContact O-CA 3.19Å; L31-E417 PolarHBondContact O-N 3.42Å; L31-Y420 HydrophobicContact CB-CD1 4.09Å; L31-Y420 HydrophobicContact CB-CD2 4.19Å; L31-Y420 HydrophobicContact CB-CE1 4.11Å; L31-Y420 HydrophobicContact CB-CE2 4.23Å; L31-Y420 HydrophobicContact CB-CG 4.13Å; L31-Y420 HydrophobicContact CD1-CD1 4.36Å
32	G	96.4	Very high	97.1	Very high	5 Å²	5	13.4 Å²	13.4	5%	0.052	8%	0.083	C	C	.	.			trans	93.3	135.3	-172	0	0	0	0	0	111.7	E37 H53 L54 D55	G32-E37 WeakPolarHBondContact O-CB 3.29Å; G32-E37 WeakPolarHBondContact O-CG 2.92Å; G32-H53 CovalentContact O-NE2 1.82Å; G32-H53 PolarHBondContact O-NE2 2.8Å; G32-L54 PolarHBondContact N-O 2.62Å; G32-D55 WeakPolarHBondContact CA-OD2 3.44Å
33	T	97.4	Very high	97.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	8%	0.078	C	C	.	.			trans	-103.9	27.5	-171.7	53.9	0	0	0	0	114.2	H53 D55 Y60 A61 L382	T33-H53 WeakPolarHBondContact CA-NE2 3.49Å; T33-H53 PolarHBondContact N-NE2 3Å; T33-D55 WeakPolarHBondContact CB-OD2 3.25Å; T33-D55 HydrophobicContact CG2-CB 3.89Å; T33-D55 PolarHBondContact N-OD2 2.84Å; T33-D55 PolarHBondContact OG1-OD2 3.04Å; T33-Y60 HydrophobicContact CG2-CD1 3.99Å; T33-Y60 HydrophobicContact CG2-CE1 4.46Å; T33-Y60 VanDerWaalsContact OG1-CA 3.3Å; T33-Y60 WeakPolarHBondContact OG1-CA 3.46Å; T33-A61 WeakPolarHBondContact O-CA 3.46Å; T33-A61 PolarHBondContact O-N 2.88Å; T33-A61 VanDerWaalsContact O-N 3.16Å; T33-A61 PolarHBondContact OG1-N 2.94Å; T33-L382 HydrophobicContact CG2-CD2 4.4Å
34	G	97.3	Very high	97.8	Very high	5 Å²	5	9.6 Å²	9.6	5%	0.052	6%	0.06	C	C	.	.	S	Bend	trans	-67.8	-177.5	178.8	0	0	0	0	0	114.5	E37 S38 A61	G34-E37 WeakPolarHBondContact CA-OE2 3.41Å; G34-E37 PolarHBondContact N-OE2 3.16Å; G34-S38 WeakPolarHBondContact O-CB 3.47Å; G34-S38 PolarHBondContact O-N 2.75Å; G34-S38 PolarHBondContact O-OG 2.96Å; G34-A61 WeakPolarHBondContact CA-O 3.4Å
35	L	97.8	Very high	98	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-64.4	-47.2	-173.8	-177.2	59.5	0	0	0	112.7	E37 S38 V39 W64 I365 P366 F369 H559 A562	L35-E37 PolarHBondContact N-OE2 2.68Å; L35-S38 PolarHBondContact O-OG 3.35Å; L35-S38 VanDerWaalsContact O-OG 3.05Å; L35-V39 HydrophobicContact CD1-CG2 4.18Å; L35-V39 WeakPolarHBondContact O-CB 3.49Å; L35-V39 WeakPolarHBondContact O-CG2 3.42Å; L35-V39 PolarHBondContact O-N 2.83Å; L35-V39 VanDerWaalsContact O-N 3.08Å; L35-W64 HydrophobicContact CB-CD2 3.75Å; L35-W64 HydrophobicContact CB-CE3 4.12Å; L35-W64 HydrophobicContact CB-CG 4.15Å; L35-W64 HydrophobicContact CB-CH2 4.38Å; L35-W64 HydrophobicContact CB-CZ2 4.03Å; L35-W64 HydrophobicContact CB-CZ3 4.41Å; L35-W64 HydrophobicContact CD2-CE3 4.12Å; L35-W64 HydrophobicContact CD2-CH2 3.86Å; L35-W64 HydrophobicContact CD2-CZ2 4.31Å; L35-W64 HydrophobicContact CD2-CZ3 3.74Å; L35-I365 HydrophobicContact CD1-CB 4.45Å; L35-I365 HydrophobicContact CD1-CG2 3.69Å; L35-P366 HydrophobicContact CB-CG 4.16Å; L35-P366 HydrophobicContact CD1-CG 4.29Å; L35-F369 HydrophobicContact CD1-CD2 4.35Å; L35-F369 HydrophobicContact CD1-CE2 4.49Å; L35-H559 HydrophobicContact CD2-CB 4.35Å; L35-A562 HydrophobicContact CD2-CB 3.99Å; L35-A562 HydrophobicContact CG-CB 4.3Å
36	T	97.6	Very high	97.9	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.006	3%	0.025	C	C	.	.	H	α-helix	trans	-64.2	-44.7	-179.7	-51.1	0	0	0	0	110.5	V39 V40 C550 Q565 A566	T36-V39 PolarHBondContact O-N 3.37Å; T36-V40 WeakPolarHBondContact O-CG2 3.28Å; T36-V40 PolarHBondContact O-N 3.15Å; T36-C550 HydrophobicContact CG2-CB 4.04Å; T36-C550 WeakPolarHBondContact CG2-SG 3.44Å; T36-Q565 HydrophobicContact CG2-CB 3.89Å; T36-Q565 HydrophobicContact CG2-CG 3.69Å; T36-A566 HydrophobicContact CG2-CB 4.02Å
37	E	98.3	Very high	97.8	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-67.1	-43.9	-176.3	-56.7	78.9	-178.4	0	0	111.6	I30 G32 G34 L35 V40 A41 H53 E417 C550	I30-E37 HydrophobicContact CG2-CB 3.96Å; G32-E37 WeakPolarHBondContact O-CB 3.29Å; G32-E37 WeakPolarHBondContact O-CG 2.92Å; G34-E37 WeakPolarHBondContact CA-OE2 3.41Å; G34-E37 PolarHBondContact N-OE2 3.16Å; L35-E37 PolarHBondContact N-OE2 2.68Å; E37-V40 PolarHBondContact O-N 3.39Å; E37-A41 WeakPolarHBondContact O-CB 3.24Å; E37-A41 PolarHBondContact O-N 3.36Å; E37-H53 WeakPolarHBondContact CB-NE2 3.31Å; E37-H53 PolarHBondContact O-CE1 3.14Å; E37-E417 VanDerWaalsContact OE1-CB 3.23Å; E37-E417 WeakPolarHBondContact OE1-CB 3.44Å; E37-E417 VanDerWaalsContact OE1-CG 3.29Å; E37-E417 WeakPolarHBondContact OE1-CG 3.47Å; E37-C550 HydrophobicContact CG-CB 3.8Å; E37-C550 WeakPolarHBondContact OE1-CB 3.46Å
38	S	98.6	Very high	97.7	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-67	-38.2	175.8	58.3	0	0	0	0	112.5	G34 L35 A41 A42 H53 P366 C370	G34-S38 WeakPolarHBondContact O-CB 3.47Å; G34-S38 PolarHBondContact O-N 2.75Å; G34-S38 PolarHBondContact O-OG 2.96Å; L35-S38 PolarHBondContact O-OG 3.35Å; L35-S38 VanDerWaalsContact O-OG 3.05Å; S38-A41 PolarHBondContact O-N 2.86Å; S38-A42 WeakPolarHBondContact O-CB 3.15Å; S38-A42 PolarHBondContact O-N 3.35Å; S38-H53 WeakPolarHBondContact CA-CE1 3.45Å; S38-H53 PolarHBondContact N-CE1 3.03Å; S38-P366 WeakPolarHBondContact CB-O 3.49Å; S38-P366 WeakPolarHBondContact OG-CA 3.42Å; S38-C370 WeakPolarHBondContact CB-SG 3.46Å
39	V	98.6	Very high	97.6	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-66.3	-41.6	174.2	173.1	0	0	0	0	111.4	L35 T36 A42 A43 L231 F369 A566 F579	L35-V39 HydrophobicContact CD1-CG2 4.18Å; L35-V39 WeakPolarHBondContact O-CB 3.49Å; L35-V39 WeakPolarHBondContact O-CG2 3.42Å; L35-V39 PolarHBondContact O-N 2.83Å; L35-V39 VanDerWaalsContact O-N 3.08Å; T36-V39 PolarHBondContact O-N 3.37Å; V39-A42 PolarHBondContact O-N 3.28Å; V39-A43 WeakPolarHBondContact O-CB 3.47Å; V39-A43 PolarHBondContact O-N 3.24Å; V39-L231 HydrophobicContact CG1-CD2 3.76Å; V39-L231 HydrophobicContact CG2-CD2 4.33Å; V39-F369 HydrophobicContact CG2-CB 4.4Å; V39-F369 HydrophobicContact CG2-CD1 4.01Å; V39-F369 HydrophobicContact CG2-CD2 3.52Å; V39-F369 HydrophobicContact CG2-CE1 4.15Å; V39-F369 HydrophobicContact CG2-CE2 3.68Å; V39-F369 HydrophobicContact CG2-CG 3.71Å; V39-F369 HydrophobicContact CG2-CZ 3.99Å; V39-A566 HydrophobicContact CB-CB 3.83Å; V39-A566 HydrophobicContact CG1-CB 3.55Å; V39-F579 HydrophobicContact CG1-CE2 4.14Å; V39-F579 HydrophobicContact CG1-CZ 3.6Å
40	V	98.6	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-45.4	173.5	175	0	0	0	0	110.8	I30 T36 E37 A42 A43 C44 V415 A566 I569	I30-V40 HydrophobicContact CD1-CG1 4.3Å; T36-V40 WeakPolarHBondContact O-CG2 3.28Å; T36-V40 PolarHBondContact O-N 3.15Å; E37-V40 PolarHBondContact O-N 3.39Å; V40-A42 VanDerWaalsContact C-N 3.33Å; V40-A42 PolarHBondContact O-N 3.04Å; V40-A43 PolarHBondContact O-N 3.46Å; V40-C44 WeakPolarHBondContact O-CB 3.44Å; V40-C44 PolarHBondContact O-N 3.05Å; V40-C44 PolarHBondContact O-SG 3.3Å; V40-C44 VanDerWaalsContact O-SG 3.37Å; V40-V415 HydrophobicContact CG1-CG2 4.12Å; V40-A566 HydrophobicContact CG2-CB 3.77Å; V40-I569 HydrophobicContact CG1-CG2 4.09Å; V40-I569 HydrophobicContact CG2-CB 4.07Å; V40-I569 HydrophobicContact CG2-CG2 3.98Å
41	A	98.6	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57	-46.1	176.1	0	0	0	0	0	112	I30 E37 S38 S45 V51 H53 S373 Y380	I30-A41 HydrophobicContact CD1-CB 3.59Å; E37-A41 WeakPolarHBondContact O-CB 3.24Å; E37-A41 PolarHBondContact O-N 3.36Å; S38-A41 PolarHBondContact O-N 2.86Å; A41-S45 WeakPolarHBondContact O-CB 3.06Å; A41-S45 PolarHBondContact O-N 3.34Å; A41-S45 PolarHBondContact O-OG 2.89Å; A41-V51 HydrophobicContact CB-CG1 4.22Å; A41-H53 VanDerWaalsContact CB-ND1 3.27Å; A41-H53 WeakPolarHBondContact CB-ND1 3.45Å; A41-S373 PolarHBondContact O-OG 3.41Å; A41-Y380 WeakPolarHBondContact CB-OH 2.92Å
42	A	98.2	Very high	97.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.8	-45.4	176.9	0	0	0	0	0	112.2	S38 V39 V40 R46 F369 M372	S38-A42 WeakPolarHBondContact O-CB 3.15Å; S38-A42 PolarHBondContact O-N 3.35Å; V39-A42 PolarHBondContact O-N 3.28Å; V40-A42 VanDerWaalsContact C-N 3.33Å; V40-A42 PolarHBondContact O-N 3.04Å; A42-R46 WeakPolarHBondContact O-CB 3.22Å; A42-R46 PolarHBondContact O-N 3.48Å; A42-F369 HydrophobicContact CB-CB 4.04Å; A42-F369 HydrophobicContact CB-CD1 3.87Å; A42-F369 HydrophobicContact CB-CG 4.44Å; A42-M372 HydrophobicContact CB-CB 4.08Å; A42-M372 HydrophobicContact CB-CG 4.07Å; A42-M372 HydrophobicContact CB-SD 3.9Å
43	A	98.2	Very high	97.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.1	-48.7	179.6	0	0	0	0	0	111.8	V39 V40 R46 V47 F570 F579 C580	V39-A43 WeakPolarHBondContact O-CB 3.47Å; V39-A43 PolarHBondContact O-N 3.24Å; V40-A43 PolarHBondContact O-N 3.46Å; A43-R46 PolarHBondContact O-N 2.87Å; A43-V47 PolarHBondContact O-N 3.08Å; A43-F570 HydrophobicContact CB-CD2 3.39Å; A43-F570 HydrophobicContact CB-CE2 3.73Å; A43-F570 HydrophobicContact CB-CG 4.11Å; A43-F579 HydrophobicContact CB-CD2 3.75Å; A43-F579 HydrophobicContact CB-CE2 3.71Å; A43-C580 VanDerWaalsContact CA-SG 3.57Å; A43-C580 VanDerWaalsContact CB-SG 3.55Å
44	C	98.3	Very high	97.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.3	-45.7	-178.8	-66.9	0	0	0	0	112.9	I28 V40 R46 V47 G48 Q49 V51	I28-C44 HydrophobicContact CD1-CB 3.62Å; I28-C44 WeakPolarHBondContact CD1-SG 3.21Å; V40-C44 WeakPolarHBondContact O-CB 3.44Å; V40-C44 PolarHBondContact O-N 3.05Å; V40-C44 PolarHBondContact O-SG 3.3Å; V40-C44 VanDerWaalsContact O-SG 3.37Å; C44-R46 VanDerWaalsContact C-N 3.3Å; C44-R46 PolarHBondContact O-N 2.8Å; C44-V47 WeakPolarHBondContact O-CG2 3.49Å; C44-V47 PolarHBondContact O-N 2.94Å; C44-G48 PolarHBondContact O-N 3.19Å; C44-Q49 HydrophobicContact CB-CB 4.18Å; C44-Q49 HydrophobicContact CB-CG 4.2Å; C44-Q49 WeakPolarHBondContact O-CB 3.41Å; C44-Q49 WeakPolarHBondContact O-CG 3.27Å; C44-Q49 PolarHBondContact O-N 3.42Å; C44-Q49 VanDerWaalsContact O-N 3.09Å; C44-V51 HydrophobicContact CB-CG2 3.85Å
45	S	97.4	Very high	97.7	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.007	8%	0.079	C	C	.	.	H	α-helix	trans	-61.3	-40.1	175.2	-59.4	0	0	0	0	111.1	A41 V47 G48 V51 S373 F376	A41-S45 WeakPolarHBondContact O-CB 3.06Å; A41-S45 PolarHBondContact O-N 3.34Å; A41-S45 PolarHBondContact O-OG 2.89Å; S45-V47 PolarHBondContact O-N 2.87Å; S45-G48 PolarHBondContact O-N 2.94Å; S45-V51 WeakPolarHBondContact OG-CB 3.4Å; S45-V51 VanDerWaalsContact OG-CG2 3.27Å; S45-V51 WeakPolarHBondContact OG-CG2 3.4Å; S45-S373 PolarHBondContact OG-OG 2.67Å; S45-F376 WeakPolarHBondContact O-CB 3.48Å
46	R	95.2	Very high	97.5	Very high	44 Å²	44	15.9 Å²	15.9	17%	0.166	9%	0.085	C	C	.	.	H	α-helix	trans	-60.5	-28.6	179	172.8	63.4	-167.8	93.4	0.5	113.6	A42 A43 C44 M372 F376 P581 P582	A42-R46 WeakPolarHBondContact O-CB 3.22Å; A42-R46 PolarHBondContact O-N 3.48Å; A43-R46 PolarHBondContact O-N 2.87Å; C44-R46 VanDerWaalsContact C-N 3.3Å; C44-R46 PolarHBondContact O-N 2.8Å; R46-M372 HydrophobicContact CB-CE 3.71Å; R46-M372 HydrophobicContact CG-CE 3.68Å; R46-F376 HydrophobicContact CB-CD2 4.28Å; R46-F376 VanDerWaalsContact CD-CE2 3.49Å; R46-F376 VanDerWaalsContact CD-CZ 3.45Å; R46-P581 HydrophobicContact CG-CG 3.92Å; R46-P581 PolarHBondContact NE-O 2.79Å; R46-P582 PolarHBondContact NH2-O 2.9Å
47	V	96	Very high	97.3	Very high	30 Å²	30	16.9 Å²	16.9	18%	0.182	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	19.7	173.2	-56.3	0	0	0	0	113	A43 C44 S45 Q49 F570 L574 E577 P581	A43-V47 PolarHBondContact O-N 3.08Å; C44-V47 WeakPolarHBondContact O-CG2 3.49Å; C44-V47 PolarHBondContact O-N 2.94Å; S45-V47 PolarHBondContact O-N 2.87Å; V47-Q49 HydrophobicContact CG2-CG 4.41Å; V47-F570 HydrophobicContact CG1-CZ 4.22Å; V47-F570 HydrophobicContact CG2-CE2 3.89Å; V47-F570 HydrophobicContact CG2-CZ 4Å; V47-L574 HydrophobicContact CG2-CD1 3.42Å; V47-L574 VanDerWaalsContact CG2-CD1 3.42Å; V47-E577 HydrophobicContact CB-CG 4.48Å; V47-E577 HydrophobicContact CG1-CB 4.45Å; V47-E577 HydrophobicContact CG2-CG 4.37Å; V47-P581 HydrophobicContact CG1-CG 4.24Å
48	G	95.5	Very high	97.1	Very high	60 Å²	60	19.7 Å²	19.7	62%	0.619	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	10.9	167.3	0	0	0	0	0	116.3	C44 S45	C44-G48 PolarHBondContact O-N 3.19Å; S45-G48 PolarHBondContact O-N 2.94Å
49	Q	97.9	Very high	97	Very high	49 Å²	49	21.8 Å²	21.8	23%	0.229	12%	0.116	C	C	.	.			trans	-72.4	141.3	174.1	-56.6	-58.6	-61.8	0	0	111.2	D27 I28 C44 V47 V51 L574	D27-Q49 HydrophobicContact CB-CB 4.3Å; I28-Q49 HydrophobicContact CD1-CB 4.28Å; I28-Q49 HydrophobicContact CD1-CG 4.24Å; C44-Q49 HydrophobicContact CB-CB 4.18Å; C44-Q49 HydrophobicContact CB-CG 4.2Å; C44-Q49 WeakPolarHBondContact O-CB 3.41Å; C44-Q49 WeakPolarHBondContact O-CG 3.27Å; C44-Q49 PolarHBondContact O-N 3.42Å; C44-Q49 VanDerWaalsContact O-N 3.09Å; V47-Q49 HydrophobicContact CG2-CG 4.41Å; Q49-V51 HydrophobicContact CB-CG2 4.36Å; Q49-V51 PolarHBondContact O-N 2.74Å; Q49-V51 VanDerWaalsContact O-N 3.14Å; Q49-L574 HydrophobicContact CG-CD1 3.76Å
50	R	98.3	Very high	96.9	Very high	107 Å²	107	25.3 Å²	25.3	40%	0.404	13%	0.13	S	C	.	.			trans	-75.8	101.4	169.7	-57.1	169.2	-63.5	149.3	-1.8	108.8	D25 F26 D27 I28	D25-R50 PolarHBondContact O-NH1 3.17Å; D25-R50 IonicContact OD2-CZ 3.77Å; D25-R50 VanDerWaalsContact OD2-CZ 3.22Å; D25-R50 IonicContact OD2-NH1 3.61Å; D25-R50 PolarHBondContact OD2-NH1 2.94Å; D25-R50 IonicContact OD2-NH2 2.86Å; D25-R50 PolarHBondContact OD2-NH2 3.19Å; F26-R50 HydrophobicContact CD1-CB 4.07Å; D27-R50 PolarHBondContact N-O 2.58Å; D27-R50 IonicContact OD1-CZ 2.58Å; D27-R50 IonicContact OD1-NE 2.68Å; D27-R50 PolarHBondContact OD1-NE 2.99Å; D27-R50 IonicContact OD1-NH2 3.36Å; D27-R50 PolarHBondContact OD1-NH2 2.86Å; D27-R50 WeakPolarHBondContact OD2-CB 3.5Å; D27-R50 VanDerWaalsContact OD2-CG 3.27Å; D27-R50 WeakPolarHBondContact OD2-CG 3.47Å; D27-R50 IonicContact OD2-CZ 2.75Å; D27-R50 PolarHBondContact OD2-N 2.8Å; D27-R50 IonicContact OD2-NE 3.8Å; D27-R50 PolarHBondContact OD2-NE 3.08Å; D27-R50 IonicContact OD2-NH2 3.25Å; I28-R50 PolarHBondContact N-O 3.2Å
51	V	98.6	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.9	178.4	178.8	0	0	0	0	110.7	I28 I30 A41 C44 S45 Q49 G378 I379	I28-V51 WeakPolarHBondContact O-CA 3.47Å; I30-V51 HydrophobicContact CD1-CG1 3.68Å; I30-V51 HydrophobicContact CG1-CG1 4.1Å; A41-V51 HydrophobicContact CB-CG1 4.22Å; C44-V51 HydrophobicContact CB-CG2 3.85Å; S45-V51 WeakPolarHBondContact OG-CB 3.4Å; S45-V51 VanDerWaalsContact OG-CG2 3.27Å; S45-V51 WeakPolarHBondContact OG-CG2 3.4Å; Q49-V51 HydrophobicContact CB-CG2 4.36Å; Q49-V51 PolarHBondContact O-N 2.74Å; Q49-V51 VanDerWaalsContact O-N 3.14Å; V51-G378 WeakPolarHBondContact O-CA 3.45Å; V51-I379 PolarHBondContact O-N 3.2Å
52	L	98.6	Very high	96.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.4	161.5	179.6	62.9	0	0	0	109	L22 F26 I28 V29 I30 L54 I379 I409	L22-L52 HydrophobicContact CD2-CD1 3.83Å; F26-L52 HydrophobicContact CB-CB 4.49Å; F26-L52 HydrophobicContact CD1-CB 3.74Å; F26-L52 HydrophobicContact CD2-CB 3.81Å; F26-L52 HydrophobicContact CD2-CD2 4.01Å; F26-L52 HydrophobicContact CD2-CG 4.45Å; F26-L52 HydrophobicContact CE1-CB 3.76Å; F26-L52 HydrophobicContact CE1-CD1 4.41Å; F26-L52 HydrophobicContact CE2-CB 3.82Å; F26-L52 HydrophobicContact CE2-CD1 4.17Å; F26-L52 HydrophobicContact CE2-CD2 3.72Å; F26-L52 HydrophobicContact CE2-CG 4.11Å; F26-L52 HydrophobicContact CG-CB 3.76Å; F26-L52 HydrophobicContact CZ-CB 3.8Å; F26-L52 HydrophobicContact CZ-CD1 3.87Å; F26-L52 HydrophobicContact CZ-CD2 4.27Å; F26-L52 HydrophobicContact CZ-CG 4.18Å; I28-L52 PolarHBondContact O-N 3.03Å; V29-L52 CarbonylContact C-O 3.55Å; V29-L52 WeakPolarHBondContact CA-O 3.21Å; V29-L52 HydrophobicContact CG2-CB 4.27Å; V29-L52 HydrophobicContact CG2-CD2 4.37Å; I30-L52 PolarHBondContact N-O 3.05Å; L52-L54 HydrophobicContact CD1-CD2 3.79Å; L52-L54 HydrophobicContact CD2-CD1 4.14Å; L52-L54 HydrophobicContact CD2-CD2 4.02Å; L52-L54 HydrophobicContact CD2-CG 4.2Å; L52-L54 HydrophobicContact CG-CD1 4.46Å; L52-L54 HydrophobicContact CG-CD2 3.76Å; L52-L54 HydrophobicContact CG-CG 3.98Å; L52-I379 HydrophobicContact CD1-CB 4.07Å; L52-I379 HydrophobicContact CD1-CG2 3.82Å; L52-I409 HydrophobicContact CD2-CD1 3.96Å; L52-I409 HydrophobicContact CD2-CG2 4.19Å
53	H	98.4	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.3	-178.8	-157.7	152.5	0	0	0	110.3	I30 G32 T33 E37 S38 A41 I379 Y380 C381	I30-H53 WeakPolarHBondContact CG2-NE2 3.48Å; I30-H53 WeakPolarHBondContact O-CA 3.32Å; G32-H53 CovalentContact O-NE2 1.82Å; G32-H53 PolarHBondContact O-NE2 2.8Å; T33-H53 WeakPolarHBondContact CA-NE2 3.49Å; T33-H53 PolarHBondContact N-NE2 3Å; E37-H53 WeakPolarHBondContact CB-NE2 3.31Å; E37-H53 PolarHBondContact O-CE1 3.14Å; S38-H53 WeakPolarHBondContact CA-CE1 3.45Å; S38-H53 PolarHBondContact N-CE1 3.03Å; A41-H53 VanDerWaalsContact CB-ND1 3.27Å; A41-H53 WeakPolarHBondContact CB-ND1 3.45Å; H53-I379 PolarHBondContact N-O 2.89Å; H53-Y380 HydrophobicContact CB-CD1 3.77Å; H53-Y380 HydrophobicContact CB-CE1 3.39Å; H53-Y380 HydrophobicContact CB-CE2 4.24Å; H53-Y380 HydrophobicContact CB-CG 4.32Å; H53-Y380 AromaticContact CG-CE1 3.33Å; H53-Y380 AromaticContact CG-CZ 3.75Å; H53-Y380 AromaticContact ND1-CE1 3.26Å; H53-Y380 VanDerWaalsContact ND1-CE1 3.26Å; H53-Y380 WeakPolarHBondContact ND1-CE1 3.48Å; H53-Y380 AromaticContact ND1-CZ 3.4Å; H53-Y380 PolarHBondContact ND1-OH 3.37Å; H53-Y380 WeakPolarHBondContact O-CA 3.31Å; H53-C381 PolarHBondContact O-N 3.28Å
54	L	97.6	Very high	96.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	146.1	-174.9	-55.1	-179	0	0	0	111.1	V29 I30 L31 G32 L52 C381 V386	V29-L54 HydrophobicContact CG1-CD1 4.48Å; I30-L54 PolarHBondContact O-N 3.28Å; L31-L54 HydrophobicContact CD2-CB 4Å; L31-L54 HydrophobicContact CD2-CD1 3.89Å; L31-L54 HydrophobicContact CD2-CG 4.3Å; G32-L54 PolarHBondContact N-O 2.62Å; L52-L54 HydrophobicContact CD1-CD2 3.79Å; L52-L54 HydrophobicContact CD2-CD1 4.14Å; L52-L54 HydrophobicContact CD2-CD2 4.02Å; L52-L54 HydrophobicContact CD2-CG 4.2Å; L52-L54 HydrophobicContact CG-CD1 4.46Å; L52-L54 HydrophobicContact CG-CD2 3.76Å; L52-L54 HydrophobicContact CG-CG 3.98Å; L54-C381 WeakPolarHBondContact CA-O 3.3Å; L54-C381 HydrophobicContact CD2-CB 3.66Å; L54-V386 HydrophobicContact CD1-CG2 3.54Å
55	D	96.3	Very high	96.3	Very high	3 Å²	3	27 Å²	27	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.6	162.8	-148.9	-48.4	0	0	0	111.1	G32 T33 R57 C381 L382 R383 H384 Y420	G32-D55 WeakPolarHBondContact CA-OD2 3.44Å; T33-D55 WeakPolarHBondContact CB-OD2 3.25Å; T33-D55 HydrophobicContact CG2-CB 3.89Å; T33-D55 PolarHBondContact N-OD2 2.84Å; T33-D55 PolarHBondContact OG1-OD2 3.04Å; D55-R57 PolarHBondContact O-N 3.09Å; D55-R57 WeakPolarHBondContact OD1-CB 3.39Å; D55-R57 PolarHBondContact OD1-N 2.93Å; D55-C381 PolarHBondContact N-O 2.82Å; D55-L382 HydrophobicContact CB-CD2 3.68Å; D55-L382 CarbonylContact O-C 3.59Å; D55-R383 PolarHBondContact O-N 3.37Å; D55-H384 CarbonylContact C-O 3.56Å; D55-H384 PolarHBondContact O-N 2.78Å; D55-Y420 PolarHBondContact OD1-OH 3.48Å
56	R	93.3	Very high	96.3	Very high	36 Å²	36	28.3 Å²	28.3	14%	0.136	15%	0.15	C	C	.	.	S	Bend	trans	-65.6	-26.1	171	69.3	-175.2	176.1	-137.5	-14.6	112.1	S105 Q106 D108 S419 Y420	R56-S105 PolarHBondContact NH1-O 3.25Å; R56-Q106 WeakPolarHBondContact CD-O 3.36Å; R56-D108 IonicContact CZ-OD2 2.91Å; R56-D108 IonicContact NE-OD2 3.99Å; R56-D108 PolarHBondContact NE-OD2 3.37Å; R56-D108 VanDerWaalsContact NE-OD2 3.15Å; R56-D108 IonicContact NH2-OD1 3.48Å; R56-D108 PolarHBondContact NH2-OD1 3.38Å; R56-D108 IonicContact NH2-OD2 2.65Å; R56-D108 PolarHBondContact NH2-OD2 2.88Å; R56-S419 PolarHBondContact NH1-O 3.41Å; R56-S419 PolarHBondContact NH2-O 3.02Å; R56-S419 PolarHBondContact NH2-OG 3.26Å; R56-Y420 HydrophobicContact CG-CE1 4.35Å; R56-Y420 PolarHBondContact N-OH 2.92Å; R56-Y420 VanDerWaalsContact N-OH 3.14Å
57	R	93.1	Very high	96.5	Very high	22 Å²	22	27 Å²	27	8%	0.083	15%	0.146	C	C	.	.	S	Bend	trans	-75.1	161.6	-179.1	-65.9	174.3	174.3	-153.4	17.2	112.3	D55 Y59 G62 N63 D108 R383	D55-R57 PolarHBondContact O-N 3.09Å; D55-R57 WeakPolarHBondContact OD1-CB 3.39Å; D55-R57 PolarHBondContact OD1-N 2.93Å; R57-Y59 VanDerWaalsContact C-N 3.32Å; R57-Y59 HydrophobicContact CB-CD1 4.41Å; R57-Y59 HydrophobicContact CB-CE1 4.14Å; R57-Y59 HydrophobicContact CB-CE2 4.43Å; R57-Y59 PolarHBondContact NH1-OH 2.88Å; R57-G62 PolarHBondContact NH1-O 2.71Å; R57-N63 PolarHBondContact NH1-OD1 2.86Å; R57-N63 PolarHBondContact NH2-OD1 3.36Å; R57-D108 IonicContact CZ-OD1 3.23Å; R57-D108 IonicContact CZ-OD2 2.71Å; R57-D108 VanDerWaalsContact CZ-OD2 3.31Å; R57-D108 IonicContact NE-OD2 3.8Å; R57-D108 PolarHBondContact NE-OD2 3.49Å; R57-D108 IonicContact NH2-OD1 3.44Å; R57-D108 PolarHBondContact NH2-OD1 2.69Å; R57-D108 IonicContact NH2-OD2 2.85Å; R57-D108 PolarHBondContact NH2-OD2 3.38Å; R57-R383 PolarHBondContact O-N 2.74Å
58	S	94.8	Very high	96.6	Very high	60 Å²	60	27.9 Å²	27.9	42%	0.42	15%	0.151	S	C	.	.	S	Bend	trans	-83.9	-6	178.8	54.7	0	0	0	0	114.5	R383	S58-R383 PolarHBondContact O-NH1 3.13Å
59	Y	95.8	Very high	96.7	Very high	44 Å²	44	25 Å²	25	17%	0.173	12%	0.122	C	C	.	.	S	Bend	trans	-138.5	164.1	-173.7	54.4	-88.7	0	0	0	110.2	R57 A65 F67	R57-Y59 VanDerWaalsContact C-N 3.32Å; R57-Y59 HydrophobicContact CB-CD1 4.41Å; R57-Y59 HydrophobicContact CB-CE1 4.14Å; R57-Y59 HydrophobicContact CB-CE2 4.43Å; R57-Y59 PolarHBondContact NH1-OH 2.88Å; Y59-A65 HydrophobicContact CD2-CB 3.87Å; Y59-A65 HydrophobicContact CE2-CB 3.84Å; Y59-F67 HydrophobicContact CD1-CE1 4.17Å; Y59-F67 HydrophobicContact CD2-CE1 4.14Å; Y59-F67 HydrophobicContact CD2-CZ 4.01Å; Y59-F67 AromaticContact CE1-CE1 3.98Å; Y59-F67 HydrophobicContact CE1-CE1 3.98Å; Y59-F67 HydrophobicContact CE1-CZ 4.16Å; Y59-F67 AromaticContact CE2-CE1 3.96Å; Y59-F67 HydrophobicContact CE2-CE1 3.96Å; Y59-F67 HydrophobicContact CE2-CE2 4.48Å; Y59-F67 AromaticContact CE2-CZ 3.48Å; Y59-F67 HydrophobicContact CE2-CZ 3.48Å; Y59-F67 VanDerWaalsContact CE2-CZ 3.48Å; Y59-F67 HydrophobicContact CG-CE1 4.28Å; Y59-F67 AromaticContact CZ-CE1 3.89Å; Y59-F67 AromaticContact CZ-CZ 3.58Å
60	Y	97.1	Very high	96.7	Very high	75 Å²	75	25.4 Å²	25.4	29%	0.294	13%	0.126	S	C	.	.	S	Bend	trans	-79.4	-177.9	-179.2	-71.7	-71.3	0	0	0	113.6	T33 G62 Q367 Y380 L382	T33-Y60 HydrophobicContact CG2-CD1 3.99Å; T33-Y60 HydrophobicContact CG2-CE1 4.46Å; T33-Y60 VanDerWaalsContact OG1-CA 3.3Å; T33-Y60 WeakPolarHBondContact OG1-CA 3.46Å; Y60-G62 PolarHBondContact O-N 2.8Å; Y60-Q367 HydrophobicContact CD2-CG 3.9Å; Y60-Q367 HydrophobicContact CG-CG 3.9Å; Y60-Y380 AromaticContact CE1-CD1 3.98Å; Y60-Y380 HydrophobicContact CE1-CD1 3.98Å; Y60-L382 HydrophobicContact CD1-CD1 4.39Å; Y60-L382 HydrophobicContact CD1-CD2 3.92Å; Y60-L382 HydrophobicContact CD2-CD1 4.13Å; Y60-L382 HydrophobicContact CE1-CD1 4.19Å; Y60-L382 HydrophobicContact CE1-CD2 3.96Å; Y60-L382 HydrophobicContact CE1-CG 4.19Å; Y60-L382 HydrophobicContact CE2-CD1 3.91Å; Y60-L382 HydrophobicContact CG-CD1 4.35Å; Y60-L382 HydrophobicContact CG-CD2 4.44Å
61	A	96.1	Very high	96.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	12%	0.118	C	C	.	.	S	Bend	trans	68.6	-13.7	168	0	0	0	0	0	116.6	T33 G34 N63 W64 A65 P366	T33-A61 WeakPolarHBondContact O-CA 3.46Å; T33-A61 PolarHBondContact O-N 2.88Å; T33-A61 VanDerWaalsContact O-N 3.16Å; T33-A61 PolarHBondContact OG1-N 2.94Å; G34-A61 WeakPolarHBondContact CA-O 3.4Å; A61-N63 PolarHBondContact O-N 2.81Å; A61-W64 HydrophobicContact CB-CB 4.15Å; A61-W64 WeakPolarHBondContact O-CA 3.24Å; A61-W64 VanDerWaalsContact O-CB 3.28Å; A61-W64 WeakPolarHBondContact O-CB 3.5Å; A61-W64 PolarHBondContact O-N 2.73Å; A61-A65 HydrophobicContact CB-CB 4.09Å; A61-P366 HydrophobicContact CB-CB 3.93Å; A61-P366 HydrophobicContact CB-CG 3.81Å
62	G	93.3	Very high	96.6	Very high	9 Å²	9	21.5 Å²	21.5	9%	0.093	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	56.9	-124.1	178.3	0	0	0	0	0	111.7	R57 Y60 W64 A65	R57-G62 PolarHBondContact NH1-O 2.71Å; Y60-G62 PolarHBondContact O-N 2.8Å; G62-W64 PolarHBondContact O-N 2.99Å; G62-A65 WeakPolarHBondContact O-CB 3.48Å; G62-A65 PolarHBondContact O-N 2.95Å
63	N	94.4	Very high	96.5	Very high	14 Å²	14	23.1 Å²	23.1	8%	0.075	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-74.8	-5.2	175.5	-79	-4.7	0	0	0	114.6	R57 A61 A65 S111 V218 M530 P553	R57-N63 PolarHBondContact NH1-OD1 2.86Å; R57-N63 PolarHBondContact NH2-OD1 3.36Å; A61-N63 PolarHBondContact O-N 2.81Å; N63-A65 VanDerWaalsContact C-N 3.34Å; N63-S111 WeakPolarHBondContact ND2-CB 3.12Å; N63-S111 PolarHBondContact ND2-OG 3.35Å; N63-V218 VanDerWaalsContact O-CG2 3.3Å; N63-V218 WeakPolarHBondContact O-CG2 3.45Å; N63-M530 HydrophobicContact CB-CE 4.19Å; N63-M530 HydrophobicContact CB-SD 4.36Å; N63-M530 WeakPolarHBondContact O-CE 3.26Å; N63-P553 HydrophobicContact CB-CG 4.22Å
64	W	96.9	Very high	96.4	Very high	8 Å²	8	26.4 Å²	26.4	3%	0.03	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-87.9	2.2	169.2	-58.5	83.6	0	0	0	113.2	L35 A61 G62 V218 K220 G363 P366 P553 H559 A562	L35-W64 HydrophobicContact CB-CD2 3.75Å; L35-W64 HydrophobicContact CB-CE3 4.12Å; L35-W64 HydrophobicContact CB-CG 4.15Å; L35-W64 HydrophobicContact CB-CH2 4.38Å; L35-W64 HydrophobicContact CB-CZ2 4.03Å; L35-W64 HydrophobicContact CB-CZ3 4.41Å; L35-W64 HydrophobicContact CD2-CE3 4.12Å; L35-W64 HydrophobicContact CD2-CH2 3.86Å; L35-W64 HydrophobicContact CD2-CZ2 4.31Å; L35-W64 HydrophobicContact CD2-CZ3 3.74Å; A61-W64 HydrophobicContact CB-CB 4.15Å; A61-W64 WeakPolarHBondContact O-CA 3.24Å; A61-W64 VanDerWaalsContact O-CB 3.28Å; A61-W64 WeakPolarHBondContact O-CB 3.5Å; A61-W64 PolarHBondContact O-N 2.73Å; G62-W64 PolarHBondContact O-N 2.99Å; W64-V218 HydrophobicContact CD2-CG2 4.47Å; W64-V218 HydrophobicContact CE3-CG1 4.34Å; W64-V218 HydrophobicContact CE3-CG2 4.27Å; W64-V218 HydrophobicContact CZ3-CG1 4.36Å; W64-K220 HydrophobicContact CH2-CD 4.1Å; W64-K220 HydrophobicContact CZ3-CD 3.66Å; W64-G363 WeakPolarHBondContact O-CA 3.12Å; W64-P366 HydrophobicContact CB-CG 4.11Å; W64-P553 HydrophobicContact CD2-CG 3.98Å; W64-P553 HydrophobicContact CG-CG 4.18Å; W64-P553 HydrophobicContact CZ2-CB 4.24Å; W64-P553 HydrophobicContact CZ2-CG 4.21Å; W64-H559 AromaticContact CZ3-CD2 3.7Å; W64-A562 HydrophobicContact CH2-CB 4.2Å; W64-A562 HydrophobicContact CZ2-CB 4.14Å
65	A	97.4	Very high	96.2	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.025	15%	0.147	C	C	.	.			trans	-67.9	152.9	-172	0	0	0	0	0	115	Y59 A61 G62 N63 F67 L217	Y59-A65 HydrophobicContact CD2-CB 3.87Å; Y59-A65 HydrophobicContact CE2-CB 3.84Å; A61-A65 HydrophobicContact CB-CB 4.09Å; G62-A65 WeakPolarHBondContact O-CB 3.48Å; G62-A65 PolarHBondContact O-N 2.95Å; N63-A65 VanDerWaalsContact C-N 3.34Å; A65-F67 HydrophobicContact CB-CE2 3.77Å; A65-F67 HydrophobicContact CB-CZ 4.02Å; A65-L217 PolarHBondContact O-N 3.03Å
66	S	98.1	Very high	96.1	Very high	28 Å²	28	27 Å²	27	20%	0.196	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	144.8	169.1	-47.4	0	0	0	0	109.3	I215 D216 G363	S66-I215 WeakPolarHBondContact CA-O 3.36Å; S66-D216 WeakPolarHBondContact CB-OD1 3.32Å; S66-D216 PolarHBondContact OG-OD1 3Å; S66-G363 VanDerWaalsContact OG-CA 3.27Å; S66-G363 WeakPolarHBondContact OG-CA 3.42Å; S66-G363 PolarHBondContact OG-N 2.91Å
67	F	98.5	Very high	96	Very high	17 Å²	17	31.2 Å²	31.2	8%	0.075	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.6	-178.9	-65	-92.4	0	0	0	113.1	Y59 A65 L72 W75 N214 I215 L217	Y59-F67 HydrophobicContact CD1-CE1 4.17Å; Y59-F67 HydrophobicContact CD2-CE1 4.14Å; Y59-F67 HydrophobicContact CD2-CZ 4.01Å; Y59-F67 AromaticContact CE1-CE1 3.98Å; Y59-F67 HydrophobicContact CE1-CE1 3.98Å; Y59-F67 HydrophobicContact CE1-CZ 4.16Å; Y59-F67 AromaticContact CE2-CE1 3.96Å; Y59-F67 HydrophobicContact CE2-CE1 3.96Å; Y59-F67 HydrophobicContact CE2-CE2 4.48Å; Y59-F67 AromaticContact CE2-CZ 3.48Å; Y59-F67 HydrophobicContact CE2-CZ 3.48Å; Y59-F67 VanDerWaalsContact CE2-CZ 3.48Å; Y59-F67 HydrophobicContact CG-CE1 4.28Å; Y59-F67 AromaticContact CZ-CE1 3.89Å; Y59-F67 AromaticContact CZ-CZ 3.58Å; A65-F67 HydrophobicContact CB-CE2 3.77Å; A65-F67 HydrophobicContact CB-CZ 4.02Å; F67-L72 HydrophobicContact CB-CB 3.83Å; F67-L72 HydrophobicContact CB-CD1 4.22Å; F67-L72 HydrophobicContact CD2-CD1 4.05Å; F67-L72 HydrophobicContact CG-CD1 4.28Å; F67-W75 HydrophobicContact CD1-CB 4.4Å; F67-W75 HydrophobicContact CE1-CB 4.01Å; F67-W75 HydrophobicContact CE1-CG 4.18Å; F67-W75 HydrophobicContact CE2-CG 4.35Å; F67-W75 HydrophobicContact CZ-CB 4.22Å; F67-W75 AromaticContact CZ-CD1 3.7Å; F67-W75 AromaticContact CZ-CG 3.89Å; F67-W75 HydrophobicContact CZ-CG 3.89Å; F67-N214 WeakPolarHBondContact O-CA 3.41Å; F67-I215 PolarHBondContact N-O 3.4Å; F67-I215 PolarHBondContact O-N 3.02Å; F67-L217 HydrophobicContact CD2-CD2 4.32Å; F67-L217 HydrophobicContact CD2-CG 4.27Å; F67-L217 HydrophobicContact CE2-CD1 3.82Å; F67-L217 HydrophobicContact CE2-CD2 4.07Å; F67-L217 HydrophobicContact CE2-CG 3.79Å
68	T	98.5	Very high	95.8	Very high	48 Å²	48	34.5 Å²	34.5	29%	0.294	19%	0.187	S	C	.	.			trans	-59.5	154.6	158	60.4	0	0	0	0	110.2	N70 G71 L72 G210 Y213	T68-N70 VanDerWaalsContact C-N 3.3Å; T68-N70 PolarHBondContact O-N 3.27Å; T68-G71 CarbonylContact O-C 3.58Å; T68-G71 WeakPolarHBondContact O-CA 3.4Å; T68-G71 PolarHBondContact O-N 2.92Å; T68-G71 PolarHBondContact OG1-N 3.19Å; T68-L72 PolarHBondContact O-N 3.13Å; T68-G210 WeakPolarHBondContact CB-O 3.37Å; T68-Y213 WeakPolarHBondContact CA-O 3.37Å
69	F	98.3	Very high	95.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57	-44.8	-176.6	-174.1	-114.4	0	0	0	111.7	G71 L72 L73 Y203 L206 V207 G210 Y213 I215 I439 W524	F69-G71 PolarHBondContact O-N 2.89Å; F69-L72 PolarHBondContact O-N 3.4Å; F69-L73 HydrophobicContact CD1-CD1 4.17Å; F69-L73 HydrophobicContact CE1-CD1 3.89Å; F69-L73 HydrophobicContact CZ-CD1 4.34Å; F69-L73 WeakPolarHBondContact O-CG 3.2Å; F69-L73 PolarHBondContact O-N 2.91Å; F69-Y203 HydrophobicContact CE1-CE2 4.2Å; F69-Y203 HydrophobicContact CZ-CE2 4.02Å; F69-L206 HydrophobicContact CD1-CB 4.23Å; F69-L206 WeakPolarHBondContact CD1-O 3.35Å; F69-L206 HydrophobicContact CE1-CB 3.83Å; F69-L206 HydrophobicContact CZ-CB 4.28Å; F69-V207 HydrophobicContact CD1-CG2 4.36Å; F69-V207 HydrophobicContact CE1-CG2 3.96Å; F69-G210 PolarHBondContact N-O 2.95Å; F69-Y213 HydrophobicContact CB-CD2 4.08Å; F69-Y213 HydrophobicContact CB-CG 4.28Å; F69-I215 HydrophobicContact CD2-CD1 4.06Å; F69-I439 HydrophobicContact CD2-CD1 3.98Å; F69-I439 HydrophobicContact CE2-CD1 3.83Å; F69-W524 AromaticContact CE2-CD2 3.79Å; F69-W524 HydrophobicContact CE2-CD2 3.79Å; F69-W524 AromaticContact CE2-CE2 3.75Å; F69-W524 HydrophobicContact CE2-CE3 4.14Å; F69-W524 HydrophobicContact CE2-CG 4.16Å; F69-W524 HydrophobicContact CE2-CH2 4.36Å; F69-W524 HydrophobicContact CE2-CZ2 4.05Å; F69-W524 HydrophobicContact CE2-CZ3 4.42Å; F69-W524 HydrophobicContact CZ-CD2 4.29Å; F69-W524 HydrophobicContact CZ-CG 4.25Å; F69-W524 AromaticContact CZ-NE1 3.98Å
70	N	97.1	Very high	94.8	Very high	58 Å²	58	36.9 Å²	36.9	31%	0.31	20%	0.196	S	C	.	.	H	α-helix	trans	-63.7	-40.5	175.4	-42.5	73.3	0	0	0	111.8	T68 L72 L73 T74 V207 G210	T68-N70 VanDerWaalsContact C-N 3.3Å; T68-N70 PolarHBondContact O-N 3.27Å; N70-L72 VanDerWaalsContact C-N 3.34Å; N70-L73 PolarHBondContact O-N 2.95Å; N70-T74 PolarHBondContact O-N 2.97Å; N70-T74 PolarHBondContact O-OG1 2.83Å; N70-V207 PolarHBondContact ND2-O 2.92Å; N70-V207 VanDerWaalsContact ND2-O 3.15Å; N70-G210 VanDerWaalsContact OD1-CA 3.29Å; N70-G210 WeakPolarHBondContact OD1-CA 3.36Å
71	G	97.5	Very high	94	Very high	23 Å²	23	38.7 Å²	38.7	24%	0.237	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-35.1	176	0	0	0	0	0	113.2	T68 F69 T74 W75	T68-G71 CarbonylContact O-C 3.58Å; T68-G71 WeakPolarHBondContact O-CA 3.4Å; T68-G71 PolarHBondContact O-N 2.92Å; T68-G71 PolarHBondContact OG1-N 3.19Å; F69-G71 PolarHBondContact O-N 2.89Å; G71-T74 PolarHBondContact O-N 3.16Å; G71-W75 WeakPolarHBondContact O-CB 3.47Å; G71-W75 PolarHBondContact O-N 3.29Å
72	L	97.8	Very high	92.5	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-67.9	-38.5	174.2	-171.3	66.7	0	0	0	111	F67 T68 F69 N70 W75 I76 I215 L217 W524 L526	F67-L72 HydrophobicContact CB-CB 3.83Å; F67-L72 HydrophobicContact CB-CD1 4.22Å; F67-L72 HydrophobicContact CD2-CD1 4.05Å; F67-L72 HydrophobicContact CG-CD1 4.28Å; T68-L72 PolarHBondContact O-N 3.13Å; F69-L72 PolarHBondContact O-N 3.4Å; N70-L72 VanDerWaalsContact C-N 3.34Å; L72-W75 HydrophobicContact CD1-CD2 4.47Å; L72-W75 HydrophobicContact CD1-CE3 3.7Å; L72-W75 HydrophobicContact CD1-CZ3 4.17Å; L72-W75 PolarHBondContact O-N 3.28Å; L72-I76 HydrophobicContact CG-CD1 4.08Å; L72-I76 WeakPolarHBondContact O-CB 3.45Å; L72-I76 WeakPolarHBondContact O-CD1 3.49Å; L72-I76 WeakPolarHBondContact O-CG1 3.47Å; L72-I76 PolarHBondContact O-N 3.37Å; L72-I215 HydrophobicContact CD2-CB 4.11Å; L72-I215 HydrophobicContact CD2-CD1 3.71Å; L72-I215 HydrophobicContact CD2-CG2 3.76Å; L72-L217 HydrophobicContact CD1-CD2 4.26Å; L72-W524 HydrophobicContact CD2-CH2 3.7Å; L72-W524 HydrophobicContact CD2-CZ3 4.24Å; L72-L526 HydrophobicContact CD1-CD2 4.29Å; L72-L526 HydrophobicContact CD2-CD2 4.08Å; L72-L526 HydrophobicContact CG-CD2 4.42Å
73	L	96.4	Very high	91.1	Very high	35 Å²	35	50.9 Å²	50.9	18%	0.183	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-39.5	173.3	-67	173.4	0	0	0	112	F69 N70 I76 Q77 Y203 W524	F69-L73 HydrophobicContact CD1-CD1 4.17Å; F69-L73 HydrophobicContact CE1-CD1 3.89Å; F69-L73 HydrophobicContact CZ-CD1 4.34Å; F69-L73 WeakPolarHBondContact O-CG 3.2Å; F69-L73 PolarHBondContact O-N 2.91Å; N70-L73 PolarHBondContact O-N 2.95Å; L73-I76 HydrophobicContact CD2-CD1 4.31Å; L73-I76 PolarHBondContact O-N 3.01Å; L73-Q77 WeakPolarHBondContact O-CG 3.33Å; L73-Q77 PolarHBondContact O-N 3.11Å; L73-Q77 VanDerWaalsContact O-N 3.09Å; L73-Y203 WeakPolarHBondContact CD1-OH 3.49Å; L73-W524 HydrophobicContact CD2-CZ2 4.47Å
74	T	95.3	Very high	89.6	Confident	68 Å²	68	57.3 Å²	57.3	42%	0.417	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-46.1	171.2	-58.9	0	0	0	0	111.5	N70 G71 I76 Q77 E78	N70-T74 PolarHBondContact O-N 2.97Å; N70-T74 PolarHBondContact O-OG1 2.83Å; G71-T74 PolarHBondContact O-N 3.16Å; T74-I76 VanDerWaalsContact C-N 3.33Å; T74-I76 PolarHBondContact O-N 2.98Å; T74-Q77 WeakPolarHBondContact O-CB 3.3Å; T74-Q77 PolarHBondContact O-N 3.28Å; T74-E78 HydrophobicContact CG2-CG 4.5Å; T74-E78 WeakPolarHBondContact O-CG 3.22Å; T74-E78 PolarHBondContact O-N 3.03Å
75	W	94.7	Very high	87.6	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-41.3	176.2	175.4	82.2	0	0	0	112.3	F67 G71 L72 Q77 E78 Q79 I112 L115 L217 L526	F67-W75 HydrophobicContact CD1-CB 4.4Å; F67-W75 HydrophobicContact CE1-CB 4.01Å; F67-W75 HydrophobicContact CE1-CG 4.18Å; F67-W75 HydrophobicContact CE2-CG 4.35Å; F67-W75 HydrophobicContact CZ-CB 4.22Å; F67-W75 AromaticContact CZ-CD1 3.7Å; F67-W75 AromaticContact CZ-CG 3.89Å; F67-W75 HydrophobicContact CZ-CG 3.89Å; G71-W75 WeakPolarHBondContact O-CB 3.47Å; G71-W75 PolarHBondContact O-N 3.29Å; L72-W75 HydrophobicContact CD1-CD2 4.47Å; L72-W75 HydrophobicContact CD1-CE3 3.7Å; L72-W75 HydrophobicContact CD1-CZ3 4.17Å; L72-W75 PolarHBondContact O-N 3.28Å; W75-Q77 VanDerWaalsContact C-N 3.29Å; W75-Q77 PolarHBondContact O-N 3.48Å; W75-E78 PolarHBondContact O-N 2.8Å; W75-Q79 HydrophobicContact CD2-CG 4.04Å; W75-Q79 HydrophobicContact CE3-CG 4.42Å; W75-Q79 HydrophobicContact CH2-CG 4.21Å; W75-Q79 HydrophobicContact CZ2-CG 3.81Å; W75-Q79 HydrophobicContact CZ3-CG 4.49Å; W75-Q79 WeakPolarHBondContact O-CG 3.5Å; W75-Q79 PolarHBondContact O-N 2.89Å; W75-I112 HydrophobicContact CH2-CD1 4.49Å; W75-I112 HydrophobicContact CH2-CG2 4.06Å; W75-I112 HydrophobicContact CZ2-CD1 4.21Å; W75-I112 HydrophobicContact CZ2-CG1 3.99Å; W75-I112 HydrophobicContact CZ2-CG2 4.25Å; W75-L115 HydrophobicContact CH2-CD1 4.35Å; W75-L115 HydrophobicContact CZ3-CD1 3.99Å; W75-L217 HydrophobicContact CD2-CD2 4.46Å; W75-L217 HydrophobicContact CE3-CD2 4.26Å; W75-L217 HydrophobicContact CH2-CD1 4.43Å; W75-L217 HydrophobicContact CH2-CD2 3.59Å; W75-L217 HydrophobicContact CZ2-CD1 3.81Å; W75-L217 HydrophobicContact CZ2-CD2 3.78Å; W75-L217 HydrophobicContact CZ2-CG 4.48Å; W75-L217 HydrophobicContact CZ3-CD2 3.85Å; W75-L526 HydrophobicContact CZ3-CD2 4.44Å
76	I	93.9	Very high	85.9	Confident	16 Å²	16	68.6 Å²	68.6	8%	0.082	36%	0.361	C	S	.	.	H	α-helix	trans	-57.5	-41.4	172.6	-76.7	159.2	0	0	0	111	L72 L73 T74 N80 L115 V117 W524 L526	L72-I76 HydrophobicContact CG-CD1 4.08Å; L72-I76 WeakPolarHBondContact O-CB 3.45Å; L72-I76 WeakPolarHBondContact O-CD1 3.49Å; L72-I76 WeakPolarHBondContact O-CG1 3.47Å; L72-I76 PolarHBondContact O-N 3.37Å; L73-I76 HydrophobicContact CD2-CD1 4.31Å; L73-I76 PolarHBondContact O-N 3.01Å; T74-I76 VanDerWaalsContact C-N 3.33Å; T74-I76 PolarHBondContact O-N 2.98Å; I76-N80 PolarHBondContact O-N 2.95Å; I76-N80 PolarHBondContact O-ND2 3.31Å; I76-L115 HydrophobicContact CG1-CD1 4.26Å; I76-L115 HydrophobicContact CG1-CD2 4.27Å; I76-L115 HydrophobicContact CG2-CD2 3.88Å; I76-V117 HydrophobicContact CD1-CG2 3.9Å; I76-V117 HydrophobicContact CG1-CG2 4.39Å; I76-V117 HydrophobicContact CG2-CG2 4.15Å; I76-W524 HydrophobicContact CD1-CH2 4.31Å; I76-W524 HydrophobicContact CD1-CZ2 4.05Å; I76-L526 HydrophobicContact CD1-CD1 4.39Å; I76-L526 HydrophobicContact CD1-CD2 4.39Å; I76-L526 HydrophobicContact CG1-CD1 4.43Å
77	Q	91.6	Very high	84	Confident	123 Å²	123	74.7 Å²	74.7	58%	0.575	39%	0.386	S	S	*	.	H	α-helix	trans	-67	-46.7	176.3	-69.8	164.6	-3.1	0	0	110.9	L73 T74 W75 Q79 N80 E81	L73-Q77 WeakPolarHBondContact O-CG 3.33Å; L73-Q77 PolarHBondContact O-N 3.11Å; L73-Q77 VanDerWaalsContact O-N 3.09Å; T74-Q77 WeakPolarHBondContact O-CB 3.3Å; T74-Q77 PolarHBondContact O-N 3.28Å; W75-Q77 VanDerWaalsContact C-N 3.29Å; W75-Q77 PolarHBondContact O-N 3.48Å; Q77-Q79 VanDerWaalsContact C-N 3.3Å; Q77-Q79 PolarHBondContact O-N 3.14Å; Q77-N80 PolarHBondContact O-N 3.21Å; Q77-E81 PolarHBondContact O-N 3.4Å; Q77-E81 VanDerWaalsContact O-N 3.15Å
78	E	88.4	Confident	82.3	Confident	92 Å²	92	80.4 Å²	80.4	43%	0.43	42%	0.422	S	S	.	.	H	α-helix	trans	-58.5	-36.7	176.6	-69.4	175.2	169.9	0	0	113	T74 W75 N80	T74-E78 HydrophobicContact CG2-CG 4.5Å; T74-E78 WeakPolarHBondContact O-CG 3.22Å; T74-E78 PolarHBondContact O-N 3.03Å; W75-E78 PolarHBondContact O-N 2.8Å; E78-N80 VanDerWaalsContact C-N 3.26Å; E78-N80 PolarHBondContact O-N 2.86Å
79	Q	86.4	Confident	81.2	Confident	46 Å²	46	84.5 Å²	84.5	22%	0.215	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.5	175.5	-63.8	-40.9	-81.2	0	0	113.9	W75 Q77 I112 L115	W75-Q79 HydrophobicContact CD2-CG 4.04Å; W75-Q79 HydrophobicContact CE3-CG 4.42Å; W75-Q79 HydrophobicContact CH2-CG 4.21Å; W75-Q79 HydrophobicContact CZ2-CG 3.81Å; W75-Q79 HydrophobicContact CZ3-CG 4.49Å; W75-Q79 WeakPolarHBondContact O-CG 3.5Å; W75-Q79 PolarHBondContact O-N 2.89Å; Q77-Q79 VanDerWaalsContact C-N 3.3Å; Q77-Q79 PolarHBondContact O-N 3.14Å; Q79-I112 HydrophobicContact CG-CG2 4.45Å; Q79-L115 HydrophobicContact CB-CD1 3.98Å; Q79-L115 HydrophobicContact CG-CD1 4.29Å
80	N	83.2	Confident	80.4	Confident	107 Å²	107	90.7 Å²	90.7	57%	0.572	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-8.7	178.7	-75.9	-67.4	0	0	0	113.5	I76 Q77 E78	I76-N80 PolarHBondContact O-N 2.95Å; I76-N80 PolarHBondContact O-ND2 3.31Å; Q77-N80 PolarHBondContact O-N 3.21Å; E78-N80 VanDerWaalsContact C-N 3.26Å; E78-N80 PolarHBondContact O-N 2.86Å
81	E	80.1	Confident	79.8	Confident	114 Å²	114	89.4 Å²	89.4	53%	0.533	46%	0.456	S	S	.	.	S	Bend	trans	-72.6	135.5	170.6	-71.2	-163.5	179.9	0	0	110.9	Q77 K84	Q77-E81 PolarHBondContact O-N 3.4Å; Q77-E81 VanDerWaalsContact O-N 3.15Å; E81-K84 WeakPolarHBondContact OE2-CE 3.46Å; E81-K84 IonicContact OE2-NZ 2.79Å; E81-K84 PolarHBondContact OE2-NZ 2.8Å
82	E	65.4	Low	79.1	Confident	176 Å²	176	91.1 Å²	91.1	82%	0.822	47%	0.465	S	S	*	.			trans	-62.6	136.9	168.4	-70.4	-170.4	158	0	0	109.9	K84	E82-K84 PolarHBondContact O-N 3.23Å
83	P	64.2	Low	78.4	Confident	89 Å²	89	94.6 Å²	94.6	58%	0.578	50%	0.501	S	S	*	.			trans	-61.1	115.2	178.3	25.2	-33.4	0	0	0	109.6
84	K	61	Low	77.9	Confident	149 Å²	149	95.8 Å²	95.8	65%	0.648	51%	0.507	S	S	*	.			trans	-56.7	129.9	-178.4	-70.6	158.5	-173.6	136.4	0	108.8	E81 E82 E86	E81-K84 WeakPolarHBondContact OE2-CE 3.46Å; E81-K84 IonicContact OE2-NZ 2.79Å; E81-K84 PolarHBondContact OE2-NZ 2.8Å; E82-K84 PolarHBondContact O-N 3.23Å; K84-E86 PolarHBondContact O-N 2.85Å
85	P	55.5	Low	77.6	Confident	130 Å²	130	94.8 Å²	94.8	84%	0.844	50%	0.501	S	S	*	.			trans	-63.5	113.7	-174.2	24.9	-33.8	0	0	0	109.8
86	E	62	Low	77.4	Confident	118 Å²	118	100.5 Å²	100.5	55%	0.551	53%	0.527	S	S	*	.			trans	-67.5	139.1	-176	-62.1	-162.6	115.3	0	0	111.7	K84 V88 Q106	K84-E86 PolarHBondContact O-N 2.85Å; E86-V88 PolarHBondContact O-N 2.77Å; E86-Q106 VanDerWaalsContact OE1-CB 3.24Å; E86-Q106 WeakPolarHBondContact OE1-CB 3.48Å; E86-Q106 VanDerWaalsContact OE1-CG 3.28Å; E86-Q106 WeakPolarHBondContact OE1-CG 3.44Å; E86-Q106 WeakPolarHBondContact OE2-CB 3.34Å; E86-Q106 VanDerWaalsContact OE2-CG 3.22Å; E86-Q106 WeakPolarHBondContact OE2-CG 3.39Å
87	E	58.7	Low	77.2	Confident	157 Å²	157	109.4 Å²	109.4	73%	0.734	57%	0.569	S	S	*	*			trans	-65.6	103.8	162.1	-67.8	-172.9	150	0	0	108.2	R89	E87-R89 VanDerWaalsContact C-N 3.29Å; E87-R89 PolarHBondContact O-N 3.49Å; E87-R89 IonicContact OE2-NH2 2.8Å
88	V	62.8	Low	77	Confident	136 Å²	136	105 Å²	105	82%	0.824	56%	0.557	S	S	*	*			trans	-65.4	91.6	174.6	-177.8	0	0	0	0	108.9	E86	E86-V88 PolarHBondContact O-N 2.77Å
89	R	74.7	Confident	77.2	Confident	134 Å²	134	101 Å²	101	51%	0.506	54%	0.538	S	S	.	.			trans	-72	131.3	175.3	-70.2	-179.7	-179.7	178	1.9	109.5	E87 W91	E87-R89 VanDerWaalsContact C-N 3.29Å; E87-R89 PolarHBondContact O-N 3.49Å; E87-R89 IonicContact OE2-NH2 2.8Å; R89-W91 HydrophobicContact CB-CD2 4.35Å; R89-W91 HydrophobicContact CB-CH2 4.45Å; R89-W91 HydrophobicContact CB-CZ2 3.87Å; R89-W91 HydrophobicContact CG-CZ2 4.49Å; R89-W91 PolarHBondContact O-N 2.81Å
90	D	81.3	Confident	77.5	Confident	130 Å²	130	102.5 Å²	102.5	70%	0.695	55%	0.545	S	S	*	.			trans	-78.1	102.2	175.4	-175.7	1.5	0	0	0	109.8	S92	D90-S92 VanDerWaalsContact C-N 3.34Å; D90-S92 VanDerWaalsContact CG-OG 3.28Å; D90-S92 WeakPolarHBondContact OD1-CB 3.13Å; D90-S92 PolarHBondContact OD1-N 3.4Å; D90-S92 PolarHBondContact OD1-OG 3.09Å; D90-S92 PolarHBondContact OD2-OG 2.91Å
91	W	85	Confident	77.9	Confident	31 Å²	31	99.4 Å²	99.4	12%	0.117	53%	0.528	C	S	.	.			trans	-87.6	2.4	177.8	-58.8	118.4	0	0	0	113.4	R89 G93 L94 L101 H387 I402	R89-W91 HydrophobicContact CB-CD2 4.35Å; R89-W91 HydrophobicContact CB-CH2 4.45Å; R89-W91 HydrophobicContact CB-CZ2 3.87Å; R89-W91 HydrophobicContact CG-CZ2 4.49Å; R89-W91 PolarHBondContact O-N 2.81Å; W91-G93 PolarHBondContact O-N 3.24Å; W91-G93 VanDerWaalsContact O-N 3.17Å; W91-L94 HydrophobicContact CE3-CD1 3.91Å; W91-L94 HydrophobicContact CZ3-CD1 4.46Å; W91-L94 WeakPolarHBondContact O-CB 3.47Å; W91-L94 PolarHBondContact O-N 3.4Å; W91-L101 HydrophobicContact CB-CD1 3.91Å; W91-H387 AromaticContact CE2-CD2 3.93Å; W91-H387 AromaticContact CZ2-CD2 3.5Å; W91-H387 AromaticContact NE1-CD2 3.91Å; W91-H387 AromaticContact NE1-CG 3.79Å; W91-I402 HydrophobicContact CB-CD1 3.87Å; W91-I402 HydrophobicContact CD2-CG2 3.95Å; W91-I402 HydrophobicContact CE3-CG2 3.96Å; W91-I402 HydrophobicContact CG-CG2 4.29Å; W91-I402 HydrophobicContact CZ3-CG2 4.4Å
92	S	82.3	Confident	78.3	Confident	60 Å²	60	95.5 Å²	95.5	42%	0.42	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-62.1	-23.4	-178.7	66.1	0	0	0	0	113.8	D90 L94 T95	D90-S92 VanDerWaalsContact C-N 3.34Å; D90-S92 VanDerWaalsContact CG-OG 3.28Å; D90-S92 WeakPolarHBondContact OD1-CB 3.13Å; D90-S92 PolarHBondContact OD1-N 3.4Å; D90-S92 PolarHBondContact OD1-OG 3.09Å; D90-S92 PolarHBondContact OD2-OG 2.91Å; S92-L94 PolarHBondContact O-N 2.91Å; S92-L94 VanDerWaalsContact O-N 3.08Å; S92-T95 PolarHBondContact O-N 3.39Å; S92-T95 PolarHBondContact O-OG1 3.32Å
93	G	84.1	Confident	79.5	Confident	74 Å²	74	92.2 Å²	92.2	76%	0.763	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-63.8	-7.3	171.4	0	0	0	0	0	115.1	W91	W91-G93 PolarHBondContact O-N 3.24Å; W91-G93 VanDerWaalsContact O-N 3.17Å
94	L	85.6	Confident	80.7	Confident	59 Å²	59	88.6 Å²	88.6	31%	0.309	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-107.1	1.5	177.4	-61.9	174.7	0	0	0	113.7	W91 S92 I402 G406 R408	W91-L94 HydrophobicContact CE3-CD1 3.91Å; W91-L94 HydrophobicContact CZ3-CD1 4.46Å; W91-L94 WeakPolarHBondContact O-CB 3.47Å; W91-L94 PolarHBondContact O-N 3.4Å; S92-L94 PolarHBondContact O-N 2.91Å; S92-L94 VanDerWaalsContact O-N 3.08Å; L94-I402 HydrophobicContact CB-CD1 3.98Å; L94-I402 HydrophobicContact CD1-CD1 4.06Å; L94-I402 HydrophobicContact CD1-CG1 4.43Å; L94-I402 HydrophobicContact CD1-CG2 3.86Å; L94-G406 WeakPolarHBondContact CD1-O 3.22Å; L94-R408 PolarHBondContact O-NH1 3.06Å
95	T	89.3	Confident	81.9	Confident	47 Å²	47	83 Å²	83	29%	0.288	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-92.7	143.4	174.5	54	0	0	0	0	112.8	S92 E99 L101	S92-T95 PolarHBondContact O-N 3.39Å; S92-T95 PolarHBondContact O-OG1 3.32Å; T95-E99 HydrophobicContact CG2-CB 4.48Å; T95-L101 HydrophobicContact CG2-CD1 4.16Å; T95-L101 HydrophobicContact CG2-CD2 3.49Å; T95-L101 VanDerWaalsContact CG2-CD2 3.49Å; T95-L101 HydrophobicContact CG2-CG 3.61Å
96	E	90.5	Very high	83.1	Confident	122 Å²	122	78.2 Å²	78.2	57%	0.57	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-94	172.4	173.1	-60.1	176.7	-164.2	0	0	111.7	G98 E99 R408	E96-G98 PolarHBondContact O-N 2.83Å; E96-E99 HydrophobicContact CB-CG 4.21Å; E96-E99 WeakPolarHBondContact CB-OE2 3.3Å; E96-E99 PolarHBondContact N-OE2 2.83Å; E96-E99 WeakPolarHBondContact O-CB 3.47Å; E96-E99 PolarHBondContact O-N 2.88Å; E96-E99 VanDerWaalsContact O-N 3.14Å; E96-R408 IonicContact OE1-CZ 3.25Å; E96-R408 IonicContact OE1-NH2 2.89Å
97	E	88.4	Confident	83.7	Confident	203 Å²	203	74.5 Å²	74.5	95%	0.949	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	126.9	178.9	-171.4	169.9	-163.5	0	0	111
98	G	87.6	Confident	84.1	Confident	32 Å²	32	68.2 Å²	68.2	33%	0.33	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	-7.1	-174	0	0	0	0	0	115	E96 R393	E96-G98 PolarHBondContact O-N 2.83Å; G98-R393 WeakPolarHBondContact O-CB 3.39Å; G98-R393 WeakPolarHBondContact O-CG 3.3Å; G98-R393 PolarHBondContact O-N 2.88Å
99	E	93.3	Very high	83.9	Confident	8 Å²	8	64.8 Å²	64.8	4%	0.037	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	162.7	-179.3	-57.6	-172.8	148.5	0	0	113.8	T95 E96 I390 V391 K399 R408	T95-E99 HydrophobicContact CG2-CB 4.48Å; E96-E99 HydrophobicContact CB-CG 4.21Å; E96-E99 WeakPolarHBondContact CB-OE2 3.3Å; E96-E99 PolarHBondContact N-OE2 2.83Å; E96-E99 WeakPolarHBondContact O-CB 3.47Å; E96-E99 PolarHBondContact O-N 2.88Å; E96-E99 VanDerWaalsContact O-N 3.14Å; E99-I390 HydrophobicContact CB-CG2 4Å; E99-I390 HydrophobicContact CG-CG2 4.22Å; E99-I390 VanDerWaalsContact OE2-CG2 3.3Å; E99-I390 WeakPolarHBondContact OE2-CG2 3.41Å; E99-V391 CarbonylContact C-O 3.47Å; E99-V391 VanDerWaalsContact CA-O 3.25Å; E99-V391 WeakPolarHBondContact CA-O 3.45Å; E99-K399 HydrophobicContact CG-CD 4.5Å; E99-K399 WeakPolarHBondContact OE1-CD 3.28Å; E99-K399 IonicContact OE1-NZ 3.59Å; E99-K399 PolarHBondContact OE1-NZ 2.71Å; E99-K399 VanDerWaalsContact OE1-NZ 3.15Å; E99-R408 IonicContact OE1-CZ 3.44Å; E99-R408 IonicContact OE1-NH1 2.73Å; E99-R408 IonicContact OE1-NH2 3.74Å; E99-R408 PolarHBondContact OE1-NH2 2.97Å; E99-R408 IonicContact OE2-CZ 3.22Å; E99-R408 IonicContact OE2-NH1 2.81Å; E99-R408 PolarHBondContact OE2-NH1 2.84Å; E99-R408 IonicContact OE2-NH2 2.69Å; E99-R408 PolarHBondContact OE2-NH2 3.46Å
100	E	91.9	Very high	83.4	Confident	76 Å²	76	60.8 Å²	60.8	36%	0.355	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	165.6	170.1	67.7	-176.7	-167.5	0	0	113.4	V391 R393	E100-V391 HydrophobicContact CG-CB 4.19Å; E100-V391 PolarHBondContact N-O 3.24Å; E100-V391 PolarHBondContact O-N 3.29Å; E100-R393 HydrophobicContact CB-CG 4.45Å; E100-R393 HydrophobicContact CG-CG 4.01Å; E100-R393 IonicContact OE2-CZ 3.82Å; E100-R393 VanDerWaalsContact OE2-CZ 3.24Å; E100-R393 IonicContact OE2-NE 3.71Å; E100-R393 PolarHBondContact OE2-NE 3.38Å; E100-R393 IonicContact OE2-NH2 3.15Å; E100-R393 PolarHBondContact OE2-NH2 2.94Å
101	L	91.5	Very high	83.4	Confident	42 Å²	42	54.6 Å²	54.6	22%	0.22	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.2	-177	-61.7	179	0	0	0	111.6	W91 T95 C388 L389 I390 I402	W91-L101 HydrophobicContact CB-CD1 3.91Å; T95-L101 HydrophobicContact CG2-CD1 4.16Å; T95-L101 HydrophobicContact CG2-CD2 3.49Å; T95-L101 VanDerWaalsContact CG2-CD2 3.49Å; T95-L101 HydrophobicContact CG2-CG 3.61Å; L101-C388 HydrophobicContact CB-CB 4.45Å; L101-C388 HydrophobicContact CD2-CB 4.04Å; L101-L389 WeakPolarHBondContact CA-O 3.31Å; L101-I390 HydrophobicContact CD2-CG1 3.94Å; L101-I402 HydrophobicContact CD2-CD1 3.77Å
102	I	90.3	Very high	83.6	Confident	33 Å²	33	53.6 Å²	53.6	17%	0.169	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	113.3	163.4	-56.4	-178.6	0	0	0	107.6	C388 L389 V391 P544	I102-C388 CarbonylContact O-C 3.51Å; I102-C388 WeakPolarHBondContact O-CA 3.27Å; I102-L389 HydrophobicContact CB-CB 4.22Å; I102-L389 HydrophobicContact CB-CD1 4.32Å; I102-L389 HydrophobicContact CB-CG 4.43Å; I102-L389 HydrophobicContact CG2-CD1 4.47Å; I102-L389 PolarHBondContact N-O 3.4Å; I102-L389 PolarHBondContact O-N 2.93Å; I102-V391 HydrophobicContact CD1-CG2 3.79Å; I102-V391 HydrophobicContact CG1-CG2 3.98Å; I102-P544 HydrophobicContact CD1-CG 4.26Å
103	H	89.2	Confident	84.1	Confident	107 Å²	107	53 Å²	53	50%	0.495	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136	178.5	-71.2	-99.2	0	0	0	111.6	H387 C388	H103-H387 WeakPolarHBondContact CA-O 3.26Å; H103-C388 VanDerWaalsContact CE1-SG 3.53Å; H103-C388 PolarHBondContact ND1-SG 2.94Å; H103-C388 VanDerWaalsContact ND1-SG 3.41Å
104	L	89.4	Confident	84.5	Confident	13 Å²	13	53.5 Å²	53.5	7%	0.068	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-97.3	151.1	177.7	-61.3	-171.8	0	0	0	112.1	L31 Q106 V386 H387 L389 M416 Y420 L421	L31-L104 HydrophobicContact CD1-CD1 3.54Å; L104-Q106 PolarHBondContact O-N 3.15Å; L104-Q106 PolarHBondContact O-NE2 2.77Å; L104-V386 HydrophobicContact CD1-CB 4.1Å; L104-V386 HydrophobicContact CD1-CG1 3.7Å; L104-H387 PolarHBondContact N-O 2.88Å; L104-L389 HydrophobicContact CD1-CD2 3.97Å; L104-L389 HydrophobicContact CD2-CD1 4.2Å; L104-L389 HydrophobicContact CD2-CD2 4.17Å; L104-L389 HydrophobicContact CD2-CG 3.94Å; L104-L389 HydrophobicContact CG-CD2 4.29Å; L104-L389 HydrophobicContact CG-CG 4.32Å; L104-M416 HydrophobicContact CD1-CE 4.46Å; L104-M416 HydrophobicContact CD2-CE 4.15Å; L104-M416 HydrophobicContact CD2-SD 4.1Å; L104-Y420 CarbonylContact C-O 3.57Å; L104-Y420 WeakPolarHBondContact CA-O 3.15Å; L104-Y420 WeakPolarHBondContact CB-O 3.27Å; L104-L421 HydrophobicContact CD2-CD2 4.42Å
105	S	86.3	Confident	85	Confident	32 Å²	32	52.2 Å²	52.2	22%	0.224	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-69.2	121.1	173.2	-173.5	0	0	0	0	111.1	R56 A107 Y420	R56-S105 PolarHBondContact NH1-O 3.25Å; S105-A107 PolarHBondContact OG-N 3.4Å; S105-A107 PolarHBondContact OG-O 2.98Å; S105-Y420 PolarHBondContact N-O 2.89Å
106	Q	81.4	Confident	85.4	Confident	29 Å²	29	52.9 Å²	52.9	14%	0.136	29%	0.292	C	S	.	.			trans	-84.1	-22.8	169.3	-51	-50.6	-69	0	0	111.7	R56 E86 L104 S385 V386 H387	R56-Q106 WeakPolarHBondContact CD-O 3.36Å; E86-Q106 VanDerWaalsContact OE1-CB 3.24Å; E86-Q106 WeakPolarHBondContact OE1-CB 3.48Å; E86-Q106 VanDerWaalsContact OE1-CG 3.28Å; E86-Q106 WeakPolarHBondContact OE1-CG 3.44Å; E86-Q106 WeakPolarHBondContact OE2-CB 3.34Å; E86-Q106 VanDerWaalsContact OE2-CG 3.22Å; E86-Q106 WeakPolarHBondContact OE2-CG 3.39Å; L104-Q106 PolarHBondContact O-N 3.15Å; L104-Q106 PolarHBondContact O-NE2 2.77Å; Q106-S385 PolarHBondContact OE1-OG 3.03Å; Q106-V386 PolarHBondContact NE2-O 2.55Å; Q106-H387 PolarHBondContact OE1-ND1 3.44Å
107	A	73.1	Confident	85.7	Confident	40 Å²	40	49.7 Å²	49.7	33%	0.331	28%	0.28	S	S	.	.			trans	-83.2	137.8	179	0	0	0	0	0	112.3	S105	S105-A107 PolarHBondContact OG-N 3.4Å; S105-A107 PolarHBondContact OG-O 2.98Å
108	D	67.1	Low	86.1	Confident	24 Å²	24	43.3 Å²	43.3	13%	0.128	25%	0.249	C	C	.	.			trans	-96.2	-16.6	177.9	-140.6	-54.8	0	0	0	113.2	R56 R57 A110 S111	R56-D108 IonicContact CZ-OD2 2.91Å; R56-D108 IonicContact NE-OD2 3.99Å; R56-D108 PolarHBondContact NE-OD2 3.37Å; R56-D108 VanDerWaalsContact NE-OD2 3.15Å; R56-D108 IonicContact NH2-OD1 3.48Å; R56-D108 PolarHBondContact NH2-OD1 3.38Å; R56-D108 IonicContact NH2-OD2 2.65Å; R56-D108 PolarHBondContact NH2-OD2 2.88Å; R57-D108 IonicContact CZ-OD1 3.23Å; R57-D108 IonicContact CZ-OD2 2.71Å; R57-D108 VanDerWaalsContact CZ-OD2 3.31Å; R57-D108 IonicContact NE-OD2 3.8Å; R57-D108 PolarHBondContact NE-OD2 3.49Å; R57-D108 IonicContact NH2-OD1 3.44Å; R57-D108 PolarHBondContact NH2-OD1 2.69Å; R57-D108 IonicContact NH2-OD2 2.85Å; R57-D108 PolarHBondContact NH2-OD2 3.38Å; D108-A110 PolarHBondContact O-N 3.33Å; D108-S111 PolarHBondContact O-N 3.15Å; D108-S111 PolarHBondContact O-OG 3.14Å; D108-S111 PolarHBondContact OD1-OG 2.96Å; D108-S111 VanDerWaalsContact OD1-OG 3.07Å
109	S	60.4	Low	86.4	Confident	64 Å²	64	44 Å²	44	45%	0.448	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-3.2	-166.3	54.1	0	0	0	0	116.4
110	A	63.1	Low	86.3	Confident	50 Å²	50	46.6 Å²	46.6	41%	0.413	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.1	170.4	0	0	0	0	0	113.4	D108	D108-A110 PolarHBondContact O-N 3.33Å
111	S	80.9	Confident	86.2	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.007	25%	0.246	C	C	.	.	S	Bend	trans	-94.2	-19.7	-175	81	0	0	0	0	114.6	N63 D108 M530 A531	N63-S111 WeakPolarHBondContact ND2-CB 3.12Å; N63-S111 PolarHBondContact ND2-OG 3.35Å; D108-S111 PolarHBondContact O-N 3.15Å; D108-S111 PolarHBondContact O-OG 3.14Å; D108-S111 PolarHBondContact OD1-OG 2.96Å; D108-S111 VanDerWaalsContact OD1-OG 3.07Å; S111-M530 WeakPolarHBondContact O-CA 3.36Å; S111-A531 PolarHBondContact O-N 3.41Å
112	I	90.3	Very high	85.7	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.3	-178.6	-57.8	-68.3	0	0	0	109.7	W75 Q79 F528 N529 M530	W75-I112 HydrophobicContact CH2-CD1 4.49Å; W75-I112 HydrophobicContact CH2-CG2 4.06Å; W75-I112 HydrophobicContact CZ2-CD1 4.21Å; W75-I112 HydrophobicContact CZ2-CG1 3.99Å; W75-I112 HydrophobicContact CZ2-CG2 4.25Å; Q79-I112 HydrophobicContact CG-CG2 4.45Å; I112-F528 HydrophobicContact CD1-CD2 3.98Å; I112-F528 HydrophobicContact CD1-CE2 3.99Å; I112-F528 HydrophobicContact CG2-CB 4.4Å; I112-F528 HydrophobicContact CG2-CD2 4.13Å; I112-N529 CarbonylContact C-O 3.56Å; I112-N529 WeakPolarHBondContact CA-O 3.37Å; I112-M530 HydrophobicContact CD1-CB 4.09Å; I112-M530 HydrophobicContact CD1-CE 4.25Å; I112-M530 HydrophobicContact CD1-CG 4.01Å
113	T	91.9	Very high	84.9	Confident	46 Å²	46	50.4 Å²	50.4	28%	0.282	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	170.5	-179.5	56.9	0	0	0	0	112.8	L115 F432 N529	T113-L115 PolarHBondContact O-N 2.79Å; T113-L115 VanDerWaalsContact O-N 3.16Å; T113-F432 HydrophobicContact CG2-CE1 4.45Å; T113-N529 PolarHBondContact N-O 3.33Å; T113-N529 PolarHBondContact O-N 3.46Å; T113-N529 WeakPolarHBondContact OG1-CB 3.37Å
114	N	93.8	Very high	83.5	Confident	86 Å²	86	52.2 Å²	52.2	46%	0.46	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56	29.7	173.6	-56.4	-36.9	0	0	0	115.7	Q116 N529	N114-Q116 PolarHBondContact O-N 3.11Å; N114-Q116 PolarHBondContact O-NE2 3.39Å; N114-N529 WeakPolarHBondContact CB-OD1 3.36Å; N114-N529 PolarHBondContact ND2-OD1 3.47Å
115	L	95.4	Very high	81.5	Confident	31 Å²	31	59.6 Å²	59.6	16%	0.162	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	125.6	-175.7	-165.3	156.1	0	0	0	111.4	W75 I76 Q79 T113 V117 L526 Y527 F528	W75-L115 HydrophobicContact CH2-CD1 4.35Å; W75-L115 HydrophobicContact CZ3-CD1 3.99Å; I76-L115 HydrophobicContact CG1-CD1 4.26Å; I76-L115 HydrophobicContact CG1-CD2 4.27Å; I76-L115 HydrophobicContact CG2-CD2 3.88Å; Q79-L115 HydrophobicContact CB-CD1 3.98Å; Q79-L115 HydrophobicContact CG-CD1 4.29Å; T113-L115 PolarHBondContact O-N 2.79Å; T113-L115 VanDerWaalsContact O-N 3.16Å; L115-V117 HydrophobicContact CD2-CG2 3.79Å; L115-L526 HydrophobicContact CD1-CD1 4.4Å; L115-L526 HydrophobicContact CD2-CD1 3.95Å; L115-L526 HydrophobicContact CG-CD1 3.84Å; L115-Y527 CarbonylContact C-O 3.52Å; L115-Y527 WeakPolarHBondContact CA-O 3.21Å; L115-F528 HydrophobicContact CB-CB 4.46Å; L115-F528 HydrophobicContact CG-CB 4.45Å
116	Q	97	Very high	79.5	Confident	62 Å²	62	62.4 Å²	62.4	29%	0.29	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.4	178.3	-74.2	165.4	74.6	0	0	110	N114 F118 L526 Y527	N114-Q116 PolarHBondContact O-N 3.11Å; N114-Q116 PolarHBondContact O-NE2 3.39Å; Q116-F118 HydrophobicContact CB-CE2 3.89Å; Q116-F118 HydrophobicContact CB-CZ 4.19Å; Q116-L526 CarbonylContact O-C 3.51Å; Q116-L526 WeakPolarHBondContact O-CA 3.47Å; Q116-Y527 PolarHBondContact N-O 3.1Å; Q116-Y527 PolarHBondContact O-N 3.18Å
117	V	97.1	Very high	77.7	Confident	55 Å²	55	69.8 Å²	69.8	33%	0.333	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.5	-177.5	-179.3	0	0	0	0	109.5	I76 L115 W524 S525 L526	I76-V117 HydrophobicContact CD1-CG2 3.9Å; I76-V117 HydrophobicContact CG1-CG2 4.39Å; I76-V117 HydrophobicContact CG2-CG2 4.15Å; L115-V117 HydrophobicContact CD2-CG2 3.79Å; V117-W524 HydrophobicContact CG1-CZ2 3.75Å; V117-S525 WeakPolarHBondContact CA-O 3.37Å; V117-L526 HydrophobicContact CG2-CD1 3.86Å
118	F	96.3	Very high	76.3	Confident	68 Å²	68	75.8 Å²	75.8	30%	0.298	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.6	178.4	-52.1	-89.3	0	0	0	109.9	Q116 Y120 H497 W524 S525 Y527	Q116-F118 HydrophobicContact CB-CE2 3.89Å; Q116-F118 HydrophobicContact CB-CZ 4.19Å; F118-Y120 HydrophobicContact CB-CE1 4.17Å; F118-Y120 HydrophobicContact CB-CE2 4.03Å; F118-Y120 WeakPolarHBondContact CB-OH 3.4Å; F118-H497 AromaticContact CE2-CD2 3.74Å; F118-H497 AromaticContact CZ-CD2 3.98Å; F118-H497 AromaticContact CZ-NE2 3.97Å; F118-W524 CarbonylContact O-C 3.58Å; F118-W524 WeakPolarHBondContact O-CA 3.46Å; F118-S525 PolarHBondContact N-O 3.22Å; F118-S525 PolarHBondContact O-N 3.25Å; F118-Y527 AromaticContact CD2-CD2 3.91Å; F118-Y527 HydrophobicContact CD2-CD2 3.91Å; F118-Y527 AromaticContact CD2-CE2 3.8Å; F118-Y527 HydrophobicContact CD2-CE2 3.8Å; F118-Y527 AromaticContact CE2-CD2 3.73Å; F118-Y527 HydrophobicContact CE2-CD2 3.73Å; F118-Y527 AromaticContact CE2-CE2 3.87Å; F118-Y527 HydrophobicContact CE2-CE2 3.87Å
119	S	94.1	Very high	75.1	Confident	46 Å²	46	80.8 Å²	80.8	32%	0.322	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	145	165.8	-168.4	0	0	0	0	109.2	V121	S119-V121 WeakPolarHBondContact OG-CG2 3.08Å
120	Y	92.1	Very high	73.9	Confident	63 Å²	63	81.9 Å²	81.9	25%	0.247	43%	0.426	C	S	.	.			trans	-125	-8.5	175.8	-51.4	-74.6	0	0	0	112.3	F118 T510 T511 V522 L523	F118-Y120 HydrophobicContact CB-CE1 4.17Å; F118-Y120 HydrophobicContact CB-CE2 4.03Å; F118-Y120 WeakPolarHBondContact CB-OH 3.4Å; Y120-T510 HydrophobicContact CD1-CG2 3.92Å; Y120-T510 HydrophobicContact CE1-CG2 4.07Å; Y120-T511 WeakPolarHBondContact O-CB 3.46Å; Y120-T511 WeakPolarHBondContact O-CG2 3.35Å; Y120-T511 PolarHBondContact O-OG1 2.93Å; Y120-V522 WeakPolarHBondContact CB-O 3.4Å; Y120-V522 HydrophobicContact CD2-CB 3.95Å; Y120-V522 HydrophobicContact CD2-CG1 3.74Å; Y120-V522 HydrophobicContact CE2-CB 4.04Å; Y120-V522 HydrophobicContact CE2-CG1 3.62Å; Y120-L523 PolarHBondContact N-O 3.28Å
121	V	90	Very high	72.7	Confident	13 Å²	13	82.6 Å²	82.6	8%	0.079	43%	0.431	C	S	.	.	S	Bend	trans	-82.5	153.6	172.7	-71.8	0	0	0	0	110.7	S119 I201 Y203 L206 L523	S119-V121 WeakPolarHBondContact OG-CG2 3.08Å; V121-I201 WeakPolarHBondContact CB-O 3.32Å; V121-I201 WeakPolarHBondContact CG1-O 3.12Å; V121-Y203 HydrophobicContact CG2-CD2 4.13Å; V121-L206 HydrophobicContact CG2-CD1 4.03Å; V121-L523 HydrophobicContact CG1-CB 3.71Å; V121-L523 HydrophobicContact CG1-CD2 3.65Å; V121-L523 HydrophobicContact CG1-CG 4.19Å; V121-L523 PolarHBondContact N-O 2.77Å
122	S	81	Confident	70.5	Confident	54 Å²	54	89.6 Å²	89.6	38%	0.378	47%	0.469	S	S	.	.			trans	-64.7	142.4	179.7	55.8	0	0	0	0	111.7	E124 Y203	S122-E124 VanDerWaalsContact CB-OE2 3.24Å; S122-E124 WeakPolarHBondContact CB-OE2 3.47Å; S122-E124 PolarHBondContact O-N 3.23Å; S122-E124 PolarHBondContact OG-OE2 3.11Å; S122-Y203 WeakPolarHBondContact O-CB 3.27Å; S122-Y203 PolarHBondContact O-N 2.83Å; S122-Y203 VanDerWaalsContact O-N 3.11Å
123	E	72.8	Confident	67.9	Low	165 Å²	165	93.1 Å²	93.1	77%	0.771	49%	0.491	S	S	*	.			trans	-84.2	13.3	174.1	-58.9	-173.8	150.7	0	0	112.1	E125	E123-E125 PolarHBondContact O-N 3.36Å
124	E	59.8	Low	65.4	Low	144 Å²	144	94.5 Å²	94.5	67%	0.673	50%	0.499	S	S	*	.			trans	-62.5	116.6	-179.3	-70.4	163.4	147	0	0	110.1	S122	S122-E124 VanDerWaalsContact CB-OE2 3.24Å; S122-E124 WeakPolarHBondContact CB-OE2 3.47Å; S122-E124 PolarHBondContact O-N 3.23Å; S122-E124 PolarHBondContact OG-OE2 3.11Å
125	E	47.1	Very low	62.7	Low	169 Å²	169	98.2 Å²	98.2	79%	0.79	51%	0.514	S	S	*	.			trans	-68.4	138.7	174.2	-61	-173.4	147.7	0	0	109.8	E123 E127	E123-E125 PolarHBondContact O-N 3.36Å; E125-E127 PolarHBondContact O-N 3.22Å
126	E	45.2	Very low	59.8	Low	90 Å²	90	104.9 Å²	104.9	42%	0.421	54%	0.544	S	S	.	.			trans	-75	68.3	-179.4	-66.9	178.9	157.7	0	0	111.6	E128 A204 K208	E126-E128 PolarHBondContact O-N 2.9Å; E126-A204 HydrophobicContact CG-CB 4.44Å; E126-K208 IonicContact OE1-NZ 3.19Å; E126-K208 IonicContact OE2-NZ 3.18Å; E126-K208 PolarHBondContact OE2-NZ 3.44Å
127	E	43	Very low	57	Low	184 Å²	184	109.2 Å²	109.2	86%	0.86	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	7.1	171.9	-77.6	-154.4	126.9	0	0	113.7	E125	E125-E127 PolarHBondContact O-N 3.22Å
128	E	44.3	Very low	54	Low	167 Å²	167	113.8 Å²	113.8	78%	0.78	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	20.5	-168.1	-131.4	170.2	-130.5	0	0	117.4	E126	E126-E128 PolarHBondContact O-N 2.9Å
129	E	40.4	Very low	51	Low	129 Å²	129	114.8 Å²	114.8	60%	0.603	60%	0.6	S	S	*	*	S	Bend	trans	-93.8	-3.1	161.6	-77.3	-160	138.9	0	0	113.9	K208	E129-K208 IonicContact OE2-NZ 2.75Å; E129-K208 PolarHBondContact OE2-NZ 3.23Å
130	A	36.5	Very low	48.3	Very low	87 Å²	87	116.1 Å²	116.1	72%	0.719	62%	0.615	S	S	*	*	S	Bend	trans	-88.9	-12.2	178.3	0	0	0	0	0	114.8
131	A	37.7	Very low	45.4	Very low	64 Å²	64	119.1 Å²	119.1	53%	0.529	64%	0.635	S	S	.	*	S	Bend	trans	-93.9	-30.9	-171.5	0	0	0	0	0	114.1	T134	A131-T134 PolarHBondContact O-OG1 2.87Å
132	N	34.7	Very low	42.7	Very low	148 Å²	148	127.3 Å²	127.3	79%	0.791	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	1	-164.1	-125	12.1	0	0	0	115.4
133	T	35.2	Very low	40.5	Very low	85 Å²	85	133.9 Å²	133.9	52%	0.521	70%	0.697	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.1	-7.7	176.2	45.3	0	0	0	0	113.8
134	T	39.7	Very low	38.5	Very low	74 Å²	74	129.6 Å²	129.6	45%	0.454	69%	0.69	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.6	7.6	-169	59	0	0	0	0	116.1	A131 K138	A131-T134 PolarHBondContact O-OG1 2.87Å; T134-K138 WeakPolarHBondContact O-CE 3.33Å; T134-K138 PolarHBondContact O-NZ 3.08Å
135	E	36.7	Very low	37.2	Very low	164 Å²	164	128.9 Å²	128.9	77%	0.766	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-32.3	174.3	-61.4	-153.2	141.6	0	0	114.5
136	E	36	Very low	36.3	Very low	171 Å²	171	129.6 Å²	129.6	80%	0.799	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-37.3	176	-68.8	-164.3	137.8	0	0	113.2	K138 A139	E136-K138 PolarHBondContact O-N 3.42Å; E136-K138 VanDerWaalsContact O-N 3.15Å; E136-A139 PolarHBondContact O-N 3.11Å
137	E	37.5	Very low	35.4	Very low	153 Å²	153	134.5 Å²	134.5	72%	0.715	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-16.9	176.9	-68.6	-167.1	146.4	0	0	113.5
138	K	33.3	Very low	34.6	Very low	151 Å²	151	131.8 Å²	131.8	66%	0.657	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-8.1	177.5	-72.4	-176.2	-174.3	128.5	0	114.6	T134 E136	T134-K138 WeakPolarHBondContact O-CE 3.33Å; T134-K138 PolarHBondContact O-NZ 3.08Å; E136-K138 PolarHBondContact O-N 3.42Å; E136-K138 VanDerWaalsContact O-N 3.15Å
139	A	33.9	Very low	33.7	Very low	89 Å²	89	128.7 Å²	128.7	74%	0.736	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-16.4	175.1	0	0	0	0	0	113.2	E136	E136-A139 PolarHBondContact O-N 3.11Å
140	A	36.5	Very low	33.1	Very low	75 Å²	75	130.8 Å²	130.8	62%	0.62	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-25.3	-174.6	0	0	0	0	0	114.4
141	D	32.7	Very low	32.6	Very low	125 Å²	125	132.1 Å²	132.1	67%	0.668	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	0.3	-163.5	-143.6	25.7	0	0	0	114.7
142	E	32.5	Very low	32	Very low	185 Å²	185	137.4 Å²	137.4	86%	0.864	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-14	177.4	-72.7	-154.8	144.2	0	0	115.2
143	E	33.8	Very low	31.6	Very low	192 Å²	192	136 Å²	136	90%	0.897	74%	0.741	S	S	*	*	S	Bend	trans	-96.1	-16.7	175.4	-69	-148.2	129.6	0	0	114.3	V145	E143-V145 VanDerWaalsContact C-N 3.32Å; E143-V145 PolarHBondContact O-N 3.44Å
144	A	31.7	Very low	31.2	Very low	76 Å²	76	136.3 Å²	136.3	63%	0.628	75%	0.753	S	S	*	*	S	Bend	trans	-78.1	-5.5	-174.3	0	0	0	0	0	115.5
145	V	31.8	Very low	30.5	Very low	128 Å²	128	140.3 Å²	140.3	78%	0.776	77%	0.771	S	S	*	*	S	Bend	trans	-108.6	54.1	-173.1	-162.7	0	0	0	0	112.5	E143	E143-V145 VanDerWaalsContact C-N 3.32Å; E143-V145 PolarHBondContact O-N 3.44Å
146	K	29.5	Very low	30.1	Very low	184 Å²	184	136.8 Å²	136.8	80%	0.8	77%	0.765	S	S	*	*	S	Bend	trans	-139.1	147.2	160.6	-90.5	179.4	-175.2	160.5	0	111.4
147	E	26.9	Very low	29.7	Very low	193 Å²	193	136.5 Å²	136.5	90%	0.902	76%	0.761	S	S	*	*			trans	62.9	74.9	170.2	-60.9	-173.5	171.7	0	0	116.6
148	S	25.1	Very low	29.2	Very low	128 Å²	128	135.8 Å²	135.8	90%	0.895	76%	0.758	S	S	*	*			trans	-127.4	67.1	155.9	53.4	0	0	0	0	112.7
149	S	25.1	Very low	28.9	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	76%	0.763	S	S	*	*			trans	-167.1	119.8	163.9	57.8	0	0	0	0	108.3
150	E	27.6	Very low	28.5	Very low	173 Å²	173	138 Å²	138	81%	0.808	76%	0.764	S	S	*	*				-167.6	152.5	67.7	-80.2	-176.7	154.1	0	0	113.4
151	T	26.2	Very low	28.1	Very low	115 Å²	115	142.5 Å²	142.5	71%	0.706	77%	0.773	S	S	*	*			trans	50.3	112	148.9	57.9	0	0	0	0	124.3
152	E	25.9	Very low	27.8	Very low	175 Å²	175	144.3 Å²	144.3	82%	0.818	78%	0.777	S	S	*	*				55.2	128.3	119.8	-59	-168.3	146.5	0	0	124.7
153	S	26.1	Very low	27.6	Very low	118 Å²	118	143.4 Å²	143.4	83%	0.825	77%	0.773	S	S	*	*			trans	102.4	154.7	130.9	78.7	0	0	0	0	122.5
154	A	26.8	Very low	27.3	Very low	92 Å²	92	143 Å²	143	76%	0.76	77%	0.77	S	S	*	*			trans	64.7	99.4	167.9	0	0	0	0	0	118.3
155	D	25.2	Very low	27	Very low	157 Å²	157	142.7 Å²	142.7	84%	0.84	78%	0.775	S	S	*	*				78.5	146.4	74.7	-165.2	28.8	0	0	0	115.9
156	S	27.7	Very low	26.7	Very low	91 Å²	91	141.9 Å²	141.9	64%	0.636	78%	0.782	S	S	*	*			trans	83.1	124.8	163.6	74.8	0	0	0	0	122
157	K	27.9	Very low	26.5	Very low	165 Å²	165	136.9 Å²	136.9	72%	0.717	78%	0.782	S	S	*	*			trans	69.1	121.7	132.4	-72.4	-177	167.9	-76	0	119.1
158	E	26.9	Very low	26.5	Very low	138 Å²	138	136.8 Å²	136.8	65%	0.645	78%	0.782	S	S	*	*				93.1	143.4	60.8	-88	175.5	-173.4	0	0	112
159	D	26.8	Very low	26.6	Very low	144 Å²	144	139.6 Å²	139.6	77%	0.77	78%	0.781	S	S	*	*			trans	65.3	156.7	164.4	-48.9	-15.4	0	0	0	118.4
160	D	26.2	Very low	26.6	Very low	141 Å²	141	144 Å²	144	75%	0.754	79%	0.791	S	S	*	*			cis	-164.9	-173.5	-47.2	-146.9	-26.8	0	0	0	107.4
161	E	28.8	Very low	26.4	Very low	171 Å²	171	143.5 Å²	143.5	80%	0.799	79%	0.788	S	S	*	*			trans	65.1	168.8	160.9	-67.9	171.9	-166.6	0	0	118.1
162	E	26.6	Very low	26.2	Very low	162 Å²	162	145.8 Å²	145.8	76%	0.757	79%	0.791	S	S	*	*				-161.9	171.9	-60.8	-141.1	172.9	-159.8	0	0	108.4
163	E	27.8	Very low	26.6	Very low	167 Å²	167	143.2 Å²	143.2	78%	0.78	79%	0.789	S	S	*	*			trans	59.5	170.8	158.9	-78.2	-167.3	170.9	0	0	118.8
164	E	26.6	Very low	26.6	Very low	182 Å²	182	142.2 Å²	142.2	85%	0.85	79%	0.788	S	S	*	*			cis	-151.3	-171.9	-49.8	-142.4	-163	-151.2	0	0	107.6
165	G	25.4	Very low	26.5	Very low	70 Å²	70	147.5 Å²	147.5	72%	0.722	80%	0.797	S	S	*	*			trans	128.4	90.9	159	0	0	0	0	0	116.7
166	A	25.9	Very low	26.5	Very low	111 Å²	111	144.8 Å²	144.8	92%	0.917	80%	0.796	S	S	*	*			trans	-80.5	161.3	163.2	0	0	0	0	0	111.9
167	G	25.2	Very low	26.5	Very low	79 Å²	79	150.3 Å²	150.3	81%	0.814	81%	0.812	S	S	*	*			trans	-164.8	98.1	175.4	0	0	0	0	0	112.3
168	E	26.9	Very low	26.3	Very low	192 Å²	192	146 Å²	146	90%	0.897	82%	0.815	S	S	*	*			trans	-94.7	146.4	170	-58.4	178.8	130.1	0	0	110.2
169	E	26.5	Very low	26.2	Very low	186 Å²	186	149 Å²	149	87%	0.869	83%	0.829	S	S	*	*			trans	-173.3	102.3	153.4	-107.7	170.8	-148.5	0	0	106.4
170	E	24.7	Very low	26.2	Very low	196 Å²	196	151.1 Å²	151.1	92%	0.916	83%	0.834	S	S	*	*				88.2	159.6	88.9	-80.6	-146.1	149.1	0	0	114.2
171	E	24.2	Very low	26.8	Very low	162 Å²	162	149.8 Å²	149.8	76%	0.757	83%	0.833	S	S	*	*			trans	-138.1	158.5	-149.2	-152.2	-165.4	-138.8	0	0	113.9
172	Q	23.2	Very low	26.7	Very low	162 Å²	162	150.4 Å²	150.4	76%	0.757	84%	0.836	S	S	*	*			trans	71.6	169.4	164.2	-52.2	-174.3	29.5	0	0	117.6
173	P	34.1	Very low	26.8	Very low	122 Å²	122	148.6 Å²	148.6	79%	0.792	84%	0.836	S	S	*	*			cis	-121.2	177.1	-10.1	16.4	8.3	0	0	0	114.6
174	A	24.9	Very low	26.8	Very low	97 Å²	97	147.3 Å²	147.3	80%	0.802	83%	0.834	S	S	*	*			trans	-86	162.4	-178.8	0	0	0	0	0	115
175	Q	24.6	Very low	26.9	Very low	202 Å²	202	147.3 Å²	147.3	94%	0.944	83%	0.834	S	S	*	*			trans	-136.7	154.3	155	-91.4	-174.1	-11	0	0	110
176	A	26.5	Very low	27.1	Very low	100 Å²	100	149.8 Å²	149.8	83%	0.826	84%	0.837	S	S	*	*			trans	-144.8	134.9	-178.1	0	0	0	0	0	111.4
177	E	26.3	Very low	27.1	Very low	208 Å²	208	155.8 Å²	155.8	97%	0.972	84%	0.836	S	S	*	*			trans	-160.7	158.3	155.1	-111	167.5	-158.3	0	0	106.3
178	G	23.8	Very low	27.2	Very low	75 Å²	75	157.8 Å²	157.8	77%	0.773	84%	0.835	S	S	*	*			trans	-154.8	157.6	-169.9	0	0	0	0	0	115.1
179	E	26.2	Very low	27.2	Very low	200 Å²	200	153.7 Å²	153.7	94%	0.935	83%	0.828	S	S	*	*			trans	-140.1	138.6	173.3	-78.5	-174.4	142.7	0	0	110.5
180	E	25.5	Very low	27.4	Very low	188 Å²	188	150.8 Å²	150.8	88%	0.879	83%	0.825	S	S	*	*			trans	-114.3	166.3	159.2	-78.4	-168.1	170.7	0	0	107.5
181	P	40.1	Very low	27.6	Very low	114 Å²	114	146.4 Å²	146.4	74%	0.74	82%	0.816	S	S	*	*			cis	-132.9	175.4	6.3	41.5	-26.5	0	0	0	115
182	E	25.8	Very low	27.9	Very low	184 Å²	184	144.1 Å²	144.1	86%	0.86	82%	0.818	S	S	*	*				-170.5	131	124.9	-104.2	-161.4	157.6	0	0	114.9
183	V	29.4	Very low	28.2	Very low	123 Å²	123	145.4 Å²	145.4	75%	0.745	82%	0.824	S	S	*	*			trans	35	97.9	143.7	-168.5	0	0	0	0	121.2
184	D	27	Very low	28.2	Very low	140 Å²	140	144.6 Å²	144.6	75%	0.749	82%	0.821	S	S	*	*				47.5	101.7	121.8	-162.6	15	0	0	0	121.1
185	Q	28.9	Very low	28.5	Very low	182 Å²	182	148.4 Å²	148.4	85%	0.85	82%	0.822	S	S	*	*			trans	-139.5	143.8	139.1	-71.8	-164.6	12.6	0	0	110.3	R187	Q185-R187 PolarHBondContact O-N 3.32Å
186	P	28.7	Very low	29.1	Very low	122 Å²	122	144.7 Å²	144.7	79%	0.792	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-76.8	119.9	-170.3	29.2	-35.2	0	0	0	113.2
187	R	26.6	Very low	30	Very low	237 Å²	237	145.3 Å²	145.3	89%	0.894	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.7	147.9	159.9	-78.4	-175.9	171.7	-178.7	-2.1	110.3	Q185	Q185-R187 PolarHBondContact O-N 3.32Å
188	P	27.4	Very low	31.5	Very low	122 Å²	122	142.9 Å²	142.9	79%	0.792	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-63.1	145.1	177.2	27.5	-34.9	0	0	0	111
189	S	27.2	Very low	33.6	Very low	105 Å²	105	148.2 Å²	148.2	73%	0.734	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-57.5	143	170.1	48.6	0	0	0	0	110.7	S191	S189-S191 PolarHBondContact O-N 2.96Å; S189-S191 VanDerWaalsContact O-N 3.17Å
190	P	31.1	Very low	36.3	Very low	126 Å²	126	147.9 Å²	147.9	82%	0.818	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-57.4	125.2	171.6	25.8	-33.4	0	0	0	108.6	S192	P190-S192 PolarHBondContact O-N 2.84Å
191	S	27.5	Very low	39.3	Very low	104 Å²	104	140 Å²	140	73%	0.727	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-58	124.3	174.8	49.8	0	0	0	0	108.7	S189 Q193	S189-S191 PolarHBondContact O-N 2.96Å; S189-S191 VanDerWaalsContact O-N 3.17Å; S191-Q193 PolarHBondContact O-N 2.94Å
192	S	31.5	Very low	41.9	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	73%	0.727	S	S	*	*			trans	-55	107.6	169.9	50.6	0	0	0	0	108.7	P190 S194	P190-S192 PolarHBondContact O-N 2.84Å; S192-S194 VanDerWaalsContact C-N 3.3Å; S192-S194 PolarHBondContact O-N 3.35Å
193	Q	29.4	Very low	45.1	Very low	190 Å²	190	129.6 Å²	129.6	89%	0.888	70%	0.698	S	S	*	*			trans	-65	99.8	164.7	-73.7	-178.1	-21.3	0	0	106.2	S191 E195	S191-Q193 PolarHBondContact O-N 2.94Å; Q193-E195 PolarHBondContact O-N 3.49Å
194	S	34.4	Very low	48.2	Very low	104 Å²	104	125.3 Å²	125.3	73%	0.727	68%	0.675	S	S	*	*			trans	-57.3	127.3	170.1	49.1	0	0	0	0	108.1	S192	S192-S194 VanDerWaalsContact C-N 3.3Å; S192-S194 PolarHBondContact O-N 3.35Å
195	E	31.2	Very low	51.4	Low	177 Å²	177	121.4 Å²	121.4	83%	0.827	65%	0.653	S	S	*	*			trans	-51.1	137.6	167.4	-63.1	-177.3	144.7	0	0	108.7	Q193 S197	Q193-E195 PolarHBondContact O-N 3.49Å; E195-S197 PolarHBondContact O-N 3.06Å
196	P	36	Very low	54.5	Low	125 Å²	125	112.7 Å²	112.7	81%	0.812	61%	0.612	S	S	*	*			trans	-61.3	114	-177.6	24.8	-33.3	0	0	0	108.8	R198	P196-R198 PolarHBondContact O-N 3.38Å
197	S	45.5	Very low	57.7	Low	112 Å²	112	109.4 Å²	109.4	78%	0.783	59%	0.59	S	S	*	*			trans	-58.2	104.2	-177.1	56.3	0	0	0	0	109.6	E195 K199	E195-S197 PolarHBondContact O-N 3.06Å; S197-K199 PolarHBondContact O-N 3.38Å
198	R	58.4	Low	61.1	Low	158 Å²	158	103.7 Å²	103.7	60%	0.596	57%	0.571	S	S	*	*			trans	-53	110.9	-176.9	-166.4	-176.8	-167.5	111.3	-0.6	108.3	P196 K200 D441	P196-R198 PolarHBondContact O-N 3.38Å; R198-K200 PolarHBondContact O-N 2.95Å; R198-K200 VanDerWaalsContact O-N 3.17Å; R198-D441 PolarHBondContact NE-O 2.93Å; R198-D441 PolarHBondContact NH2-O 2.93Å
199	K	66.8	Low	64.4	Low	186 Å²	186	100.9 Å²	100.9	81%	0.809	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-51.9	124.6	-178	-76.4	-168.9	174.2	-167.9	0	108.7	S197 I201	S197-K199 PolarHBondContact O-N 3.38Å; K199-I201 PolarHBondContact O-N 2.92Å
200	K	83.4	Confident	67.7	Low	193 Å²	193	95.9 Å²	95.9	84%	0.839	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-66.9	127.2	174.8	-68.8	-173.8	177.5	-175.8	0	108	R198	R198-K200 PolarHBondContact O-N 2.95Å; R198-K200 VanDerWaalsContact O-N 3.17Å
201	I	89.9	Confident	70.8	Confident	23 Å²	23	100.2 Å²	100.2	12%	0.118	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-82.5	125.3	-178.6	-62.8	176.1	0	0	0	108	V121 K199 Q205 L206 T483 L523	V121-I201 WeakPolarHBondContact CB-O 3.32Å; V121-I201 WeakPolarHBondContact CG1-O 3.12Å; K199-I201 PolarHBondContact O-N 2.92Å; I201-Q205 HydrophobicContact CG2-CB 4.27Å; I201-Q205 HydrophobicContact CG2-CG 4.45Å; I201-L206 HydrophobicContact CG2-CD2 3.8Å; I201-L206 HydrophobicContact CG2-CG 4.09Å; I201-T483 HydrophobicContact CD1-CG2 3.4Å; I201-L523 HydrophobicContact CB-CD1 4.16Å; I201-L523 HydrophobicContact CD1-CD1 4.14Å; I201-L523 HydrophobicContact CG2-CD1 4.31Å
202	S	92.9	Very high	74.1	Confident	17 Å²	17	101 Å²	101	12%	0.119	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-89.6	165.3	179.2	64.5	0	0	0	0	111.8	A204 Q205 L206	S202-A204 VanDerWaalsContact C-N 3.27Å; S202-A204 PolarHBondContact O-N 3.09Å; S202-Q205 PolarHBondContact O-N 3.42Å; S202-Q205 WeakPolarHBondContact OG-CB 3.46Å; S202-Q205 PolarHBondContact OG-N 2.94Å; S202-L206 PolarHBondContact O-N 2.9Å
203	Y	93.7	Very high	77.3	Confident	62 Å²	62	95.6 Å²	95.6	24%	0.243	46%	0.462	C	S	.	.	H	α-helix	trans	-62.4	-39.4	170.9	-169.4	-106	0	0	0	111.4	F69 L73 V121 S122 Q205 L206 V207	F69-Y203 HydrophobicContact CE1-CE2 4.2Å; F69-Y203 HydrophobicContact CZ-CE2 4.02Å; L73-Y203 WeakPolarHBondContact CD1-OH 3.49Å; V121-Y203 HydrophobicContact CG2-CD2 4.13Å; S122-Y203 WeakPolarHBondContact O-CB 3.27Å; S122-Y203 PolarHBondContact O-N 2.83Å; S122-Y203 VanDerWaalsContact O-N 3.11Å; Y203-Q205 VanDerWaalsContact C-N 3.3Å; Y203-Q205 PolarHBondContact O-N 2.78Å; Y203-L206 PolarHBondContact O-N 2.74Å; Y203-L206 VanDerWaalsContact O-N 3.16Å; Y203-V207 HydrophobicContact CD1-CG2 4.06Å; Y203-V207 HydrophobicContact CE1-CG2 3.66Å; Y203-V207 WeakPolarHBondContact O-CG2 3.45Å; Y203-V207 PolarHBondContact O-N 3.14Å; Y203-V207 VanDerWaalsContact O-N 3.13Å
204	A	93.8	Very high	80.6	Confident	33 Å²	33	88 Å²	88	27%	0.273	43%	0.428	S	S	.	.	H	α-helix	trans	-55.5	-43.4	174.8	0	0	0	0	0	111.8	E126 S202 L206 V207 K208	E126-A204 HydrophobicContact CG-CB 4.44Å; S202-A204 VanDerWaalsContact C-N 3.27Å; S202-A204 PolarHBondContact O-N 3.09Å; A204-L206 PolarHBondContact O-N 2.99Å; A204-V207 PolarHBondContact O-N 2.87Å; A204-K208 WeakPolarHBondContact O-CB 3.26Å; A204-K208 PolarHBondContact O-N 3.17Å
205	Q	94.4	Very high	83.7	Confident	58 Å²	58	83.1 Å²	83.1	27%	0.271	39%	0.393	S	S	.	.	H	α-helix	trans	-63.4	-40.8	177.2	-170.6	-177.8	-1.1	0	0	112.8	I201 S202 Y203 V207 K208 E209	I201-Q205 HydrophobicContact CG2-CB 4.27Å; I201-Q205 HydrophobicContact CG2-CG 4.45Å; S202-Q205 PolarHBondContact O-N 3.42Å; S202-Q205 WeakPolarHBondContact OG-CB 3.46Å; S202-Q205 PolarHBondContact OG-N 2.94Å; Y203-Q205 VanDerWaalsContact C-N 3.3Å; Y203-Q205 PolarHBondContact O-N 2.78Å; Q205-V207 VanDerWaalsContact C-N 3.28Å; Q205-V207 PolarHBondContact O-N 3.36Å; Q205-K208 PolarHBondContact O-N 3.31Å; Q205-E209 HydrophobicContact CG-CG 4.47Å; Q205-E209 WeakPolarHBondContact O-CB 3.48Å; Q205-E209 PolarHBondContact O-N 2.87Å
206	L	95.2	Very high	86.9	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.7	-36.8	176.1	-62.9	177.3	0	0	0	111.8	F69 V121 I201 S202 Y203 A204 G210 Y213 I439 W524	F69-L206 HydrophobicContact CD1-CB 4.23Å; F69-L206 WeakPolarHBondContact CD1-O 3.35Å; F69-L206 HydrophobicContact CE1-CB 3.83Å; F69-L206 HydrophobicContact CZ-CB 4.28Å; V121-L206 HydrophobicContact CG2-CD1 4.03Å; I201-L206 HydrophobicContact CG2-CD2 3.8Å; I201-L206 HydrophobicContact CG2-CG 4.09Å; S202-L206 PolarHBondContact O-N 2.9Å; Y203-L206 PolarHBondContact O-N 2.74Å; Y203-L206 VanDerWaalsContact O-N 3.16Å; A204-L206 PolarHBondContact O-N 2.99Å; L206-G210 WeakPolarHBondContact O-CA 3.27Å; L206-G210 PolarHBondContact O-N 3.18Å; L206-Y213 HydrophobicContact CD2-CE2 4.37Å; L206-Y213 VanDerWaalsContact CD2-OH 3.26Å; L206-Y213 WeakPolarHBondContact CD2-OH 3.47Å; L206-I439 HydrophobicContact CD2-CG2 4.29Å; L206-W524 HydrophobicContact CD1-CB 4.31Å
207	V	96.1	Very high	89.8	Confident	53 Å²	53	68.9 Å²	68.9	32%	0.321	32%	0.316	S	S	.	.	H	α-helix	trans	-76.3	-39.1	177	178.1	0	0	0	0	112.2	F69 N70 Y203 A204 Q205 G210	F69-V207 HydrophobicContact CD1-CG2 4.36Å; F69-V207 HydrophobicContact CE1-CG2 3.96Å; N70-V207 PolarHBondContact ND2-O 2.92Å; N70-V207 VanDerWaalsContact ND2-O 3.15Å; Y203-V207 HydrophobicContact CD1-CG2 4.06Å; Y203-V207 HydrophobicContact CE1-CG2 3.66Å; Y203-V207 WeakPolarHBondContact O-CG2 3.45Å; Y203-V207 PolarHBondContact O-N 3.14Å; Y203-V207 VanDerWaalsContact O-N 3.13Å; A204-V207 PolarHBondContact O-N 2.87Å; Q205-V207 VanDerWaalsContact C-N 3.28Å; Q205-V207 PolarHBondContact O-N 3.36Å; V207-G210 PolarHBondContact O-N 3.4Å
208	K	96.6	Very high	92.3	Very high	117 Å²	117	64 Å²	64	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-48.4	178	-171.2	175.8	-174.3	177	0	110.9	E126 E129 A204 Q205	E126-K208 IonicContact OE1-NZ 3.19Å; E126-K208 IonicContact OE2-NZ 3.18Å; E126-K208 PolarHBondContact OE2-NZ 3.44Å; E129-K208 IonicContact OE2-NZ 2.75Å; E129-K208 PolarHBondContact OE2-NZ 3.23Å; A204-K208 WeakPolarHBondContact O-CB 3.26Å; A204-K208 PolarHBondContact O-N 3.17Å; Q205-K208 PolarHBondContact O-N 3.31Å
209	E	96.6	Very high	94.1	Very high	63 Å²	63	57 Å²	57	29%	0.294	26%	0.257	S	S	.	.	S	Bend	trans	-88.5	2.6	178.8	-66.8	-75.6	103.3	0	0	113.9	Q205 R211 R212 I480	Q205-E209 HydrophobicContact CG-CG 4.47Å; Q205-E209 WeakPolarHBondContact O-CB 3.48Å; Q205-E209 PolarHBondContact O-N 2.87Å; E209-R211 PolarHBondContact O-N 2.86Å; E209-R212 WeakPolarHBondContact O-CB 3.42Å; E209-R212 PolarHBondContact O-N 3.17Å; E209-R212 WeakPolarHBondContact OE2-CD 3.36Å; E209-R212 IonicContact OE2-CZ 3.92Å; E209-R212 IonicContact OE2-NE 3.6Å; E209-R212 IonicContact OE2-NH1 2.87Å; E209-R212 PolarHBondContact OE2-NH1 3.4Å; E209-I480 HydrophobicContact CB-CD1 4.29Å; E209-I480 HydrophobicContact CB-CG2 3.85Å; E209-I480 HydrophobicContact CG-CD1 4.46Å
210	G	96.6	Very high	95.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57.6	-19.5	-162.5	0	0	0	0	0	116.8	T68 F69 N70 L206 V207 R212 Y213	T68-G210 WeakPolarHBondContact CB-O 3.37Å; F69-G210 PolarHBondContact N-O 2.95Å; N70-G210 VanDerWaalsContact OD1-CA 3.29Å; N70-G210 WeakPolarHBondContact OD1-CA 3.36Å; L206-G210 WeakPolarHBondContact O-CA 3.27Å; L206-G210 PolarHBondContact O-N 3.18Å; V207-G210 PolarHBondContact O-N 3.4Å; G210-R212 PolarHBondContact O-N 2.99Å; G210-Y213 PolarHBondContact O-N 3.24Å
211	R	97.3	Very high	96.3	Very high	216 Å²	216	39.1 Å²	39.1	82%	0.815	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-67.6	-17.2	171.9	-69.1	-175.6	177.6	-178.1	0.2	114.8	E209 Y213	E209-R211 PolarHBondContact O-N 2.86Å; R211-Y213 VanDerWaalsContact C-N 3.35Å
212	R	97.3	Very high	96.7	Very high	121 Å²	121	38.1 Å²	38.1	46%	0.457	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-89.2	-5.3	179.5	-60.8	178.7	69.6	-178.8	5.2	113.1	E209 G210 I480 P481	E209-R212 WeakPolarHBondContact O-CB 3.42Å; E209-R212 PolarHBondContact O-N 3.17Å; E209-R212 WeakPolarHBondContact OE2-CD 3.36Å; E209-R212 IonicContact OE2-CZ 3.92Å; E209-R212 IonicContact OE2-NE 3.6Å; E209-R212 IonicContact OE2-NH1 2.87Å; E209-R212 PolarHBondContact OE2-NH1 3.4Å; G210-R212 PolarHBondContact O-N 2.99Å; R212-I480 HydrophobicContact CB-CG2 3.69Å; R212-I480 HydrophobicContact CG-CG2 4.47Å; R212-P481 VanDerWaalsContact NH2-CD 3.32Å
213	Y	98.5	Very high	96.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.172	C	C	.	.			trans	-86.4	145.6	168.7	-73.6	-89.8	0	0	0	110.3	T68 F69 L206 G210 R211 I215 I439 T478 C479 I480 T483	T68-Y213 WeakPolarHBondContact CA-O 3.37Å; F69-Y213 HydrophobicContact CB-CD2 4.08Å; F69-Y213 HydrophobicContact CB-CG 4.28Å; L206-Y213 HydrophobicContact CD2-CE2 4.37Å; L206-Y213 VanDerWaalsContact CD2-OH 3.26Å; L206-Y213 WeakPolarHBondContact CD2-OH 3.47Å; G210-Y213 PolarHBondContact O-N 3.24Å; R211-Y213 VanDerWaalsContact C-N 3.35Å; Y213-I215 HydrophobicContact CD1-CD1 4.31Å; Y213-I215 HydrophobicContact CD1-CG1 4.41Å; Y213-I215 HydrophobicContact CG-CD1 4.46Å; Y213-I439 HydrophobicContact CD1-CD1 4.3Å; Y213-I439 HydrophobicContact CE1-CD1 3.75Å; Y213-I439 HydrophobicContact CE1-CG1 4.08Å; Y213-I439 HydrophobicContact CE1-CG2 4.13Å; Y213-T478 VanDerWaalsContact CA-O 3.24Å; Y213-T478 WeakPolarHBondContact CA-O 3.19Å; Y213-T478 WeakPolarHBondContact CD1-O 3.29Å; Y213-C479 HydrophobicContact CD1-CB 3.8Å; Y213-C479 HydrophobicContact CE1-CB 3.56Å; Y213-I480 HydrophobicContact CD2-CG2 4.3Å; Y213-I480 HydrophobicContact CE2-CD1 4.29Å; Y213-I480 HydrophobicContact CE2-CG1 4.25Å; Y213-I480 HydrophobicContact CE2-CG2 3.82Å; Y213-I480 WeakPolarHBondContact OH-CG1 3.38Å; Y213-T483 PolarHBondContact OH-OG1 2.95Å
214	N	98.6	Very high	97.1	Very high	31 Å²	31	35.5 Å²	35.5	17%	0.166	16%	0.162	C	C	.	.			trans	-138.3	98.1	166.7	-67.6	-71.9	0	0	0	107.2	F67 Y360 M477 T478	F67-N214 WeakPolarHBondContact O-CA 3.41Å; N214-Y360 WeakPolarHBondContact CB-O 3.38Å; N214-M477 PolarHBondContact ND2-O 3.38Å; N214-T478 HydrophobicContact CB-CG2 4.41Å; N214-T478 PolarHBondContact N-O 3.06Å; N214-T478 VanDerWaalsContact O-CB 3.32Å; N214-T478 WeakPolarHBondContact O-CB 3.47Å; N214-T478 WeakPolarHBondContact O-CG2 3.25Å
215	I	98.8	Very high	97.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	109.5	-164.5	-58.3	172.6	0	0	0	109.5	S66 F67 F69 L72 Y213 V437 L485	S66-I215 WeakPolarHBondContact CA-O 3.36Å; F67-I215 PolarHBondContact N-O 3.4Å; F67-I215 PolarHBondContact O-N 3.02Å; F69-I215 HydrophobicContact CD2-CD1 4.06Å; L72-I215 HydrophobicContact CD2-CB 4.11Å; L72-I215 HydrophobicContact CD2-CD1 3.71Å; L72-I215 HydrophobicContact CD2-CG2 3.76Å; Y213-I215 HydrophobicContact CD1-CD1 4.31Å; Y213-I215 HydrophobicContact CD1-CG1 4.41Å; Y213-I215 HydrophobicContact CG-CD1 4.46Å; I215-V437 HydrophobicContact CG2-CG1 3.66Å; I215-V437 HydrophobicContact CG2-CG2 4.44Å; I215-L485 HydrophobicContact CB-CD2 4.37Å; I215-L485 HydrophobicContact CG1-CD1 4.11Å; I215-L485 HydrophobicContact CG1-CD2 3.99Å; I215-L485 HydrophobicContact CG2-CD1 4.4Å; I215-L485 HydrophobicContact CG2-CD2 4.44Å
216	D	98.6	Very high	97.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.5	-178.3	-62.8	-21.4	0	0	0	112.2	S66 V218 F357 L362 R435 H487	S66-D216 WeakPolarHBondContact CB-OD1 3.32Å; S66-D216 PolarHBondContact OG-OD1 3Å; D216-V218 VanDerWaalsContact C-N 3.27Å; D216-V218 CarbonylContact C-O 3.6Å; D216-V218 WeakPolarHBondContact CB-O 3.44Å; D216-F357 WeakPolarHBondContact OD2-CZ 3.37Å; D216-L362 HydrophobicContact CB-CD1 4.4Å; D216-L362 VanDerWaalsContact CG-N 3.29Å; D216-L362 PolarHBondContact OD1-N 3Å; D216-L362 WeakPolarHBondContact OD2-CB 3.26Å; D216-L362 WeakPolarHBondContact OD2-CD1 3.24Å; D216-L362 VanDerWaalsContact OD2-CG 3.25Å; D216-L362 WeakPolarHBondContact OD2-CG 3.41Å; D216-L362 PolarHBondContact OD2-N 2.93Å; D216-R435 PolarHBondContact O-NH2 2.8Å; D216-H487 PolarHBondContact O-CE1 2.95Å
217	L	97.5	Very high	97.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	-64.4	-36.1	167.5	-65	-174.8	0	0	0	111.2	A65 F67 L72 W75 R435 F528 M530	A65-L217 PolarHBondContact O-N 3.03Å; F67-L217 HydrophobicContact CD2-CD2 4.32Å; F67-L217 HydrophobicContact CD2-CG 4.27Å; F67-L217 HydrophobicContact CE2-CD1 3.82Å; F67-L217 HydrophobicContact CE2-CD2 4.07Å; F67-L217 HydrophobicContact CE2-CG 3.79Å; L72-L217 HydrophobicContact CD1-CD2 4.26Å; W75-L217 HydrophobicContact CD2-CD2 4.46Å; W75-L217 HydrophobicContact CE3-CD2 4.26Å; W75-L217 HydrophobicContact CH2-CD1 4.43Å; W75-L217 HydrophobicContact CH2-CD2 3.59Å; W75-L217 HydrophobicContact CZ2-CD1 3.81Å; W75-L217 HydrophobicContact CZ2-CD2 3.78Å; W75-L217 HydrophobicContact CZ2-CG 4.48Å; W75-L217 HydrophobicContact CZ3-CD2 3.85Å; L217-R435 VanDerWaalsContact O-CZ 3.3Å; L217-R435 PolarHBondContact O-NE 3.16Å; L217-R435 PolarHBondContact O-NH2 2.93Å; L217-F528 HydrophobicContact CB-CZ 4.4Å; L217-F528 HydrophobicContact CD2-CZ 4.12Å; L217-M530 HydrophobicContact CB-CE 3.76Å
218	V	96.4	Very high	97.4	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.048	16%	0.16	C	C	.	.	S	Bend	trans	-88.9	162.8	175.8	180	0	0	0	0	110.2	N63 W64 D216 K220 L362 R435 M530 P553	N63-V218 VanDerWaalsContact O-CG2 3.3Å; N63-V218 WeakPolarHBondContact O-CG2 3.45Å; W64-V218 HydrophobicContact CD2-CG2 4.47Å; W64-V218 HydrophobicContact CE3-CG1 4.34Å; W64-V218 HydrophobicContact CE3-CG2 4.27Å; W64-V218 HydrophobicContact CZ3-CG1 4.36Å; D216-V218 VanDerWaalsContact C-N 3.27Å; D216-V218 CarbonylContact C-O 3.6Å; D216-V218 WeakPolarHBondContact CB-O 3.44Å; V218-K220 HydrophobicContact CG1-CB 4.26Å; V218-K220 HydrophobicContact CG1-CD 3.61Å; V218-K220 HydrophobicContact CG1-CG 3.71Å; V218-L362 HydrophobicContact CB-CD1 4.49Å; V218-L362 HydrophobicContact CG1-CD1 4.41Å; V218-R435 VanDerWaalsContact C-NH2 3.29Å; V218-R435 PolarHBondContact O-NH2 3.29Å; V218-M530 HydrophobicContact CG2-CE 4.21Å; V218-M530 HydrophobicContact CG2-SD 4.44Å; V218-P553 HydrophobicContact CG1-CB 4.39Å; V218-P553 HydrophobicContact CG2-CB 3.62Å; V218-P553 HydrophobicContact CG2-CG 3.4Å; V218-P553 VanDerWaalsContact CG2-CG 3.4Å
219	S	97.3	Very high	97.5	Very high	13 Å²	13	31.8 Å²	31.8	9%	0.091	14%	0.139	C	C	.	.			trans	-141.1	95.2	169.6	170.6	0	0	0	0	109.4	R435 H487	S219-R435 VanDerWaalsContact CB-NH1 3.27Å; S219-H487 WeakPolarHBondContact OG-CB 3.37Å
220	K	97.9	Very high	97.5	Very high	2 Å²	2	32 Å²	32	1%	0.009	14%	0.142	C	C	.	.			trans	-131.1	166.9	-179	-76.4	172.9	173.9	-68.7	0	109.6	W64 V218 L362 D554 A556 L557 G558 H559	W64-K220 HydrophobicContact CH2-CD 4.1Å; W64-K220 HydrophobicContact CZ3-CD 3.66Å; V218-K220 HydrophobicContact CG1-CB 4.26Å; V218-K220 HydrophobicContact CG1-CD 3.61Å; V218-K220 HydrophobicContact CG1-CG 3.71Å; K220-L362 HydrophobicContact CB-CD1 4.12Å; K220-D554 WeakPolarHBondContact CE-OD1 3.32Å; K220-D554 PolarHBondContact NZ-O 2.69Å; K220-D554 IonicContact NZ-OD1 3.39Å; K220-D554 PolarHBondContact NZ-OD1 2.82Å; K220-D554 IonicContact NZ-OD2 2.82Å; K220-D554 PolarHBondContact NZ-OD2 3.21Å; K220-A556 PolarHBondContact NZ-O 1.82Å; K220-L557 CarbonylContact C-O 3.49Å; K220-L557 VanDerWaalsContact CA-O 3.29Å; K220-L557 WeakPolarHBondContact CA-O 3.47Å; K220-L557 VanDerWaalsContact CB-O 3.25Å; K220-L557 WeakPolarHBondContact CB-O 3.38Å; K220-G558 VanDerWaalsContact CD-O 3.31Å; K220-G558 WeakPolarHBondContact CD-O 3.45Å; K220-G558 PolarHBondContact NZ-O 2.95Å; K220-H559 VanDerWaalsContact CB-CE1 3.49Å; K220-H559 WeakPolarHBondContact CB-CE1 3.39Å
221	L	98.3	Very high	97.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	14%	0.144	C	C	.	.			trans	-128.7	156.4	173.8	-65.2	174.8	0	0	0	108.9	V246 F355 F357 M455 V470 L557 G558 H559	L221-V246 HydrophobicContact CD1-CG2 4.16Å; L221-V246 HydrophobicContact CD2-CG2 3.81Å; L221-F355 HydrophobicContact CB-CB 4.19Å; L221-F355 HydrophobicContact CB-CD1 3.99Å; L221-F355 HydrophobicContact CB-CG 4.22Å; L221-F355 HydrophobicContact CD1-CB 4.06Å; L221-F355 HydrophobicContact CD1-CD1 4.22Å; L221-F355 HydrophobicContact CD1-CD2 3.96Å; L221-F355 HydrophobicContact CD1-CE2 4.43Å; L221-F355 HydrophobicContact CD1-CG 3.85Å; L221-F357 HydrophobicContact CD2-CB 4.33Å; L221-F357 HydrophobicContact CD2-CD2 4.03Å; L221-M455 HydrophobicContact CD1-CB 3.81Å; L221-M455 HydrophobicContact CD1-CG 3.69Å; L221-V470 HydrophobicContact CD1-CG2 4.39Å; L221-V470 HydrophobicContact CD2-CG1 4.13Å; L221-V470 HydrophobicContact CD2-CG2 4.45Å; L221-V470 HydrophobicContact CG-CG2 4.31Å; L221-L557 HydrophobicContact CB-CD1 4.23Å; L221-L557 HydrophobicContact CB-CG 4.26Å; L221-L557 HydrophobicContact CD1-CD1 4.1Å; L221-L557 HydrophobicContact CD1-CD2 4.39Å; L221-L557 HydrophobicContact CG-CD1 4.06Å; L221-L557 PolarHBondContact N-O 3.13Å; L221-G558 WeakPolarHBondContact O-CA 3.35Å; L221-H559 PolarHBondContact O-CE1 2.99Å; L221-H559 PolarHBondContact O-ND1 2.79Å
222	L	98.4	Very high	97.5	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	113.2	174.4	-71.9	78.2	0	0	0	108	S224 L228 V229 L232 F243 F355 L356 L362	L222-S224 PolarHBondContact O-N 2.79Å; L222-L228 HydrophobicContact CD2-CD2 3.87Å; L222-L228 HydrophobicContact CD2-CG 4.23Å; L222-L228 HydrophobicContact CG-CD2 4.01Å; L222-V229 HydrophobicContact CB-CG2 3.87Å; L222-V229 HydrophobicContact CD2-CG2 3.95Å; L222-V229 HydrophobicContact CG-CG2 4.46Å; L222-L232 HydrophobicContact CD2-CD1 4.07Å; L222-F243 HydrophobicContact CD2-CD1 4.4Å; L222-F243 HydrophobicContact CD2-CE1 3.75Å; L222-F355 CarbonylContact O-C 3.55Å; L222-F355 WeakPolarHBondContact O-CA 3.15Å; L222-L356 HydrophobicContact CB-CB 4.18Å; L222-L356 PolarHBondContact N-O 2.89Å; L222-L356 PolarHBondContact O-N 3.04Å; L222-L362 HydrophobicContact CD1-CD2 4.08Å
223	F	97.9	Very high	97.5	Very high	21 Å²	21	20.3 Å²	20.3	9%	0.092	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	133.8	165.3	-82.1	-76.8	0	0	0	109	R225 G226 V229 M326 H342 P354 F355	F223-R225 PolarHBondContact O-N 2.99Å; F223-R225 VanDerWaalsContact O-N 3.09Å; F223-G226 PolarHBondContact O-N 2.91Å; F223-V229 WeakPolarHBondContact O-CG2 3.45Å; F223-M326 HydrophobicContact CE1-CE 4.31Å; F223-M326 HydrophobicContact CZ-CE 3.77Å; F223-H342 WeakPolarHBondContact CB-NE2 3.3Å; F223-H342 AromaticContact CD1-CD2 3.54Å; F223-H342 AromaticContact CD1-NE2 3.59Å; F223-H342 AromaticContact CD2-CD2 3.94Å; F223-H342 AromaticContact CD2-NE2 3.58Å; F223-H342 AromaticContact CE1-CD2 3.64Å; F223-H342 AromaticContact CG-CD2 3.68Å; F223-H342 AromaticContact CG-NE2 3.27Å; F223-H342 VanDerWaalsContact CG-NE2 3.27Å; F223-H342 WeakPolarHBondContact CG-NE2 3.47Å; F223-H342 AromaticContact CZ-CD2 3.87Å; F223-P354 HydrophobicContact CD1-CB 4.43Å; F223-F355 AromaticContact CD1-CD1 3.99Å; F223-F355 HydrophobicContact CD1-CD1 3.99Å; F223-F355 AromaticContact CD1-CE1 3.63Å; F223-F355 HydrophobicContact CD1-CE1 3.63Å; F223-F355 HydrophobicContact CD2-CE1 4.45Å; F223-F355 HydrophobicContact CE1-CD1 4.19Å; F223-F355 AromaticContact CE1-CE1 3.36Å; F223-F355 HydrophobicContact CE1-CE1 3.36Å; F223-F355 HydrophobicContact CE1-CZ 4.02Å; F223-F355 HydrophobicContact CE2-CE1 4.23Å; F223-F355 HydrophobicContact CG-CD1 4.36Å; F223-F355 HydrophobicContact CG-CE1 4.18Å; F223-F355 AromaticContact CZ-CE1 3.71Å; F223-F355 HydrophobicContact CZ-CE1 3.71Å; F223-F355 HydrophobicContact CZ-CZ 4.34Å
224	S	97.5	Very high	97.3	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.021	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.8	-179.5	84.7	0	0	0	0	112.2	L222 S346 R349 P354	L222-S224 PolarHBondContact O-N 2.79Å; S224-S346 VanDerWaalsContact OG-CA 3.3Å; S224-S346 WeakPolarHBondContact OG-CA 3.06Å; S224-S346 WeakPolarHBondContact OG-CB 3.41Å; S224-S346 PolarHBondContact OG-O 3.02Å; S224-R349 WeakPolarHBondContact O-CD 3.5Å; S224-R349 PolarHBondContact O-NE 2.95Å; S224-R349 PolarHBondContact O-NH1 3.01Å; S224-R349 WeakPolarHBondContact OG-CB 3.5Å; S224-P354 PolarHBondContact N-O 2.82Å
225	R	96.6	Very high	97.1	Very high	121 Å²	121	22.5 Å²	22.5	46%	0.457	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	34.8	169.5	-56.7	-165.3	179.3	-80.9	1.4	113.1	F223 H342 R345 S346	F223-R225 PolarHBondContact O-N 2.99Å; F223-R225 VanDerWaalsContact O-N 3.09Å; R225-H342 PolarHBondContact O-CE1 3.34Å; R225-R345 WeakPolarHBondContact CD-O 3.17Å; R225-R345 PolarHBondContact NE-O 2.98Å; R225-S346 PolarHBondContact N-OG 3Å
226	G	95.7	Very high	96.8	Very high	2 Å²	2	25 Å²	25	2%	0.021	13%	0.126	C	C	.	.	S	Bend	trans	-80.5	155.5	168.4	0	0	0	0	0	111.7	F223 L228 V229 D230	F223-G226 PolarHBondContact O-N 2.91Å; G226-L228 PolarHBondContact O-N 3.35Å; G226-V229 PolarHBondContact O-N 3.03Å; G226-D230 PolarHBondContact O-N 3.12Å
227	S	96.4	Very high	96.7	Very high	49 Å²	49	25 Å²	25	34%	0.343	13%	0.126	S	C	.	.	H	α-helix	trans	-59.5	-32.1	-177.1	59.7	0	0	0	0	112.8	L231	S227-L231 WeakPolarHBondContact O-CB 3.41Å; S227-L231 PolarHBondContact O-N 2.83Å
228	L	97.6	Very high	96.5	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-64.1	-41.8	174.7	178.2	60.5	0	0	0	112.9	L222 G226 L231 L232 I365 F369 H559 V563	L222-L228 HydrophobicContact CD2-CD2 3.87Å; L222-L228 HydrophobicContact CD2-CG 4.23Å; L222-L228 HydrophobicContact CG-CD2 4.01Å; G226-L228 PolarHBondContact O-N 3.35Å; L228-L231 PolarHBondContact O-N 2.86Å; L228-L232 HydrophobicContact CD1-CD1 4.14Å; L228-L232 HydrophobicContact CD1-CG 4.12Å; L228-L232 HydrophobicContact CG-CD1 4Å; L228-L232 HydrophobicContact CG-CG 4.44Å; L228-L232 WeakPolarHBondContact O-CB 3.09Å; L228-L232 WeakPolarHBondContact O-CG 3.42Å; L228-L232 PolarHBondContact O-N 3.35Å; L228-I365 HydrophobicContact CD1-CG2 4.02Å; L228-I365 HydrophobicContact CD2-CG2 4.17Å; L228-F369 HydrophobicContact CD1-CE2 3.88Å; L228-F369 HydrophobicContact CD1-CZ 4.25Å; L228-H559 HydrophobicContact CB-CB 3.94Å; L228-H559 HydrophobicContact CD2-CB 3.58Å; L228-H559 VanDerWaalsContact CD2-CG 3.41Å; L228-H559 HydrophobicContact CG-CB 4.37Å; L228-V563 HydrophobicContact CB-CG2 3.93Å; L228-V563 HydrophobicContact CD1-CG2 4.16Å
229	V	97.7	Very high	96.5	Very high	9 Å²	9	33.6 Å²	33.6	6%	0.055	16%	0.163	C	C	.	.	H	α-helix	trans	-68.5	-44.2	-179.7	172.3	0	0	0	0	110.5	L222 F223 G226 L231 L232 I233 Y350	L222-V229 HydrophobicContact CB-CG2 3.87Å; L222-V229 HydrophobicContact CD2-CG2 3.95Å; L222-V229 HydrophobicContact CG-CG2 4.46Å; F223-V229 WeakPolarHBondContact O-CG2 3.45Å; G226-V229 PolarHBondContact O-N 3.03Å; V229-L231 VanDerWaalsContact C-N 3.33Å; V229-L231 PolarHBondContact O-N 2.86Å; V229-L232 PolarHBondContact O-N 2.88Å; V229-I233 HydrophobicContact CG1-CD1 3.95Å; V229-I233 WeakPolarHBondContact O-CD1 3.28Å; V229-I233 VanDerWaalsContact O-CG1 3.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.26Å; V229-I233 PolarHBondContact O-N 2.91Å; V229-I233 VanDerWaalsContact O-N 3.07Å; V229-Y350 HydrophobicContact CG1-CE2 4.46Å
230	D	96.6	Very high	96.4	Very high	68 Å²	68	36.2 Å²	36.2	36%	0.364	17%	0.172	S	C	.	.	H	α-helix	trans	-70.7	-29.8	178.4	-67.3	-32	0	0	0	111.7	G226 K234 R349	G226-D230 PolarHBondContact O-N 3.12Å; D230-K234 VanDerWaalsContact O-CB 3.27Å; D230-K234 WeakPolarHBondContact O-CB 3.4Å; D230-K234 PolarHBondContact O-N 2.82Å; D230-R349 IonicContact OD1-CZ 2.74Å; D230-R349 VanDerWaalsContact OD1-CZ 3.25Å; D230-R349 IonicContact OD1-NH1 2.72Å; D230-R349 PolarHBondContact OD1-NH1 3.11Å; D230-R349 IonicContact OD1-NH2 3.24Å; D230-R349 PolarHBondContact OD1-NH2 2.87Å; D230-R349 IonicContact OD2-NH1 2.89Å
231	L	97.6	Very high	96.3	Very high	10 Å²	10	37 Å²	37	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-66.3	-47.3	168.5	176.5	63.3	0	0	0	112.6	V39 S227 L228 V229 I233 K234 S235 F369 V563 F579 C580	V39-L231 HydrophobicContact CG1-CD2 3.76Å; V39-L231 HydrophobicContact CG2-CD2 4.33Å; S227-L231 WeakPolarHBondContact O-CB 3.41Å; S227-L231 PolarHBondContact O-N 2.83Å; L228-L231 PolarHBondContact O-N 2.86Å; V229-L231 VanDerWaalsContact C-N 3.33Å; V229-L231 PolarHBondContact O-N 2.86Å; L231-I233 PolarHBondContact O-N 2.76Å; L231-K234 PolarHBondContact O-N 2.58Å; L231-S235 WeakPolarHBondContact O-CB 3.39Å; L231-S235 PolarHBondContact O-N 3.07Å; L231-S235 PolarHBondContact O-OG 2.76Å; L231-F369 HydrophobicContact CD2-CE1 4.11Å; L231-F369 HydrophobicContact CD2-CZ 3.84Å; L231-F369 HydrophobicContact CG-CE1 4.14Å; L231-F369 HydrophobicContact CG-CZ 3.99Å; L231-V563 HydrophobicContact CD2-CG1 4.02Å; L231-V563 HydrophobicContact CD2-CG2 4.32Å; L231-F579 HydrophobicContact CD1-CD1 4.48Å; L231-F579 HydrophobicContact CD1-CE1 3.95Å; L231-F579 HydrophobicContact CD2-CE1 4.27Å; L231-F579 HydrophobicContact CD2-CZ 4.42Å; L231-C580 HydrophobicContact CD1-CB 3.61Å
232	L	97.2	Very high	96.3	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-38.1	177.9	-77.5	166	0	0	0	111.5	L222 L228 V229 S235 N236 V237 S238 F243 I365 F369	L222-L232 HydrophobicContact CD2-CD1 4.07Å; L228-L232 HydrophobicContact CD1-CD1 4.14Å; L228-L232 HydrophobicContact CD1-CG 4.12Å; L228-L232 HydrophobicContact CG-CD1 4Å; L228-L232 HydrophobicContact CG-CG 4.44Å; L228-L232 WeakPolarHBondContact O-CB 3.09Å; L228-L232 WeakPolarHBondContact O-CG 3.42Å; L228-L232 PolarHBondContact O-N 3.35Å; V229-L232 PolarHBondContact O-N 2.88Å; L232-S235 PolarHBondContact O-OG 3.48Å; L232-N236 PolarHBondContact O-N 2.89Å; L232-V237 HydrophobicContact CD2-CB 4.03Å; L232-V237 HydrophobicContact CD2-CG1 3.6Å; L232-V237 PolarHBondContact O-N 2.89Å; L232-S238 PolarHBondContact O-N 2.86Å; L232-S238 PolarHBondContact O-OG 3Å; L232-F243 HydrophobicContact CD1-CZ 4.05Å; L232-I365 HydrophobicContact CD1-CD1 4.44Å; L232-F369 HydrophobicContact CD2-CE2 3.71Å; L232-F369 HydrophobicContact CD2-CZ 3.64Å; L232-F369 HydrophobicContact CG-CE2 4.36Å; L232-F369 HydrophobicContact CG-CZ 4.11Å
233	I	95.4	Very high	96.3	Very high	76 Å²	76	46.7 Å²	46.7	39%	0.39	22%	0.223	S	C	.	.	H	α-helix	trans	-70.7	-52.6	174.5	-66.2	164.8	0	0	0	110.7	V229 L231 S235 N236 R349	V229-I233 HydrophobicContact CG1-CD1 3.95Å; V229-I233 WeakPolarHBondContact O-CD1 3.28Å; V229-I233 VanDerWaalsContact O-CG1 3.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.26Å; V229-I233 PolarHBondContact O-N 2.91Å; V229-I233 VanDerWaalsContact O-N 3.07Å; L231-I233 PolarHBondContact O-N 2.76Å; I233-S235 PolarHBondContact O-N 3.02Å; I233-N236 PolarHBondContact O-N 2.74Å; I233-R349 VanDerWaalsContact CD1-NH2 3.29Å
234	K	94.9	Very high	96.3	Very high	73 Å²	73	49.3 Å²	49.3	32%	0.317	23%	0.234	S	C	.	.	H	α-helix	trans	-56.8	-48.1	-178.3	-176.3	-167	177.1	-171.5	0	112.3	D230 L231 N236 E578 F579 C580 P582	D230-K234 VanDerWaalsContact O-CB 3.27Å; D230-K234 WeakPolarHBondContact O-CB 3.4Å; D230-K234 PolarHBondContact O-N 2.82Å; L231-K234 PolarHBondContact O-N 2.58Å; K234-N236 PolarHBondContact O-N 2.75Å; K234-E578 WeakPolarHBondContact CE-OE1 3.28Å; K234-E578 IonicContact NZ-OE1 3.31Å; K234-E578 PolarHBondContact NZ-OE1 3.15Å; K234-F579 PolarHBondContact NZ-O 3.45Å; K234-C580 WeakPolarHBondContact CD-O 3.47Å; K234-C580 WeakPolarHBondContact CE-O 3.43Å; K234-P582 HydrophobicContact CG-CG 4.25Å; K234-P582 VanDerWaalsContact O-CA 3.3Å; K234-P582 WeakPolarHBondContact O-CA 3.45Å
235	S	94.3	Very high	96.3	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.028	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-9.7	178.8	59.6	0	0	0	0	113.6	L231 L232 I233 V237	L231-S235 WeakPolarHBondContact O-CB 3.39Å; L231-S235 PolarHBondContact O-N 3.07Å; L231-S235 PolarHBondContact O-OG 2.76Å; L232-S235 PolarHBondContact O-OG 3.48Å; I233-S235 PolarHBondContact O-N 3.02Å; S235-V237 PolarHBondContact O-N 2.85Å; S235-V237 WeakPolarHBondContact OG-CB 3.05Å; S235-V237 WeakPolarHBondContact OG-CG2 3.46Å
236	N	93.5	Very high	96.3	Very high	54 Å²	54	46.1 Å²	46.1	29%	0.289	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	32.2	-175.2	-151.3	-5.4	0	0	0	113	L232 I233 K234 R239	L232-N236 PolarHBondContact O-N 2.89Å; I233-N236 PolarHBondContact O-N 2.74Å; K234-N236 PolarHBondContact O-N 2.75Å; N236-R239 VanDerWaalsContact CG-CZ 3.41Å; N236-R239 VanDerWaalsContact CG-NE 3.28Å; N236-R239 PolarHBondContact O-NE 2.88Å; N236-R239 PolarHBondContact O-NH2 2.96Å; N236-R239 WeakPolarHBondContact OD1-CD 3.46Å; N236-R239 WeakPolarHBondContact OD1-CG 3.2Å; N236-R239 PolarHBondContact OD1-NE 2.74Å
237	V	95.6	Very high	96.3	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	24%	0.235	C	C	.	.			trans	-85.8	-21.6	175	172.5	0	0	0	0	111.5	L232 S235 R239 Y240 C368 F369 M372	L232-V237 HydrophobicContact CD2-CB 4.03Å; L232-V237 HydrophobicContact CD2-CG1 3.6Å; L232-V237 PolarHBondContact O-N 2.89Å; S235-V237 PolarHBondContact O-N 2.85Å; S235-V237 WeakPolarHBondContact OG-CB 3.05Å; S235-V237 WeakPolarHBondContact OG-CG2 3.46Å; V237-R239 PolarHBondContact O-N 2.84Å; V237-Y240 HydrophobicContact CG1-CD2 4.07Å; V237-Y240 WeakPolarHBondContact O-CB 3.4Å; V237-Y240 PolarHBondContact O-N 2.88Å; V237-C368 HydrophobicContact CG1-CB 3.56Å; V237-F369 HydrophobicContact CB-CE1 4.28Å; V237-F369 HydrophobicContact CG1-CD1 4.2Å; V237-F369 HydrophobicContact CG1-CE1 4.14Å; V237-F369 HydrophobicContact CG1-CG 4.45Å; V237-F369 HydrophobicContact CG1-CZ 4.34Å; V237-F369 HydrophobicContact CG2-CD1 4.16Å; V237-F369 HydrophobicContact CG2-CE1 4.07Å; V237-M372 HydrophobicContact CG2-CB 3.89Å; V237-M372 HydrophobicContact CG2-CG 4.07Å; V237-M372 HydrophobicContact CG2-SD 3.24Å; V237-M372 WeakPolarHBondContact CG2-SD 3.45Å
238	S	94.6	Very high	96.2	Very high	39 Å²	39	45.8 Å²	45.8	27%	0.273	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-51.4	-22.8	171.4	53.7	0	0	0	0	114.2	L232 Y240 A241	L232-S238 PolarHBondContact O-N 2.86Å; L232-S238 PolarHBondContact O-OG 3Å; S238-Y240 PolarHBondContact O-N 2.92Å; S238-A241 PolarHBondContact O-N 2.82Å
239	R	94.6	Very high	96.2	Very high	151 Å²	151	45.8 Å²	45.8	57%	0.57	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-66.9	-9.3	173.7	-65.9	178	-64.3	179.6	-3.7	114.8	N236 V237	N236-R239 VanDerWaalsContact CG-CZ 3.41Å; N236-R239 VanDerWaalsContact CG-NE 3.28Å; N236-R239 PolarHBondContact O-NE 2.88Å; N236-R239 PolarHBondContact O-NH2 2.96Å; N236-R239 WeakPolarHBondContact OD1-CD 3.46Å; N236-R239 WeakPolarHBondContact OD1-CG 3.2Å; N236-R239 PolarHBondContact OD1-NE 2.74Å; V237-R239 PolarHBondContact O-N 2.84Å
240	Y	95.9	Very high	96.1	Very high	68 Å²	68	45.3 Å²	45.3	27%	0.267	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-100.1	-8	-178.8	-56.5	-30.7	0	0	0	113.9	V237 S238 C368 R371	V237-Y240 HydrophobicContact CG1-CD2 4.07Å; V237-Y240 WeakPolarHBondContact O-CB 3.4Å; V237-Y240 PolarHBondContact O-N 2.88Å; S238-Y240 PolarHBondContact O-N 2.92Å; Y240-C368 VanDerWaalsContact CB-SG 3.54Å; Y240-C368 HydrophobicContact CD2-CB 4.18Å; Y240-C368 WeakPolarHBondContact CD2-O 3.36Å; Y240-R371 HydrophobicContact CD2-CB 4.2Å; Y240-R371 HydrophobicContact CD2-CG 4.14Å; Y240-R371 HydrophobicContact CE1-CG 4.43Å; Y240-R371 VanDerWaalsContact CE1-NE 3.34Å; Y240-R371 HydrophobicContact CE2-CB 4.06Å; Y240-R371 HydrophobicContact CE2-CG 3.76Å
241	A	96.8	Very high	96.1	Very high	18 Å²	18	42.1 Å²	42.1	15%	0.149	20%	0.2	C	C	.	.			trans	-141.3	143.1	-178.8	0	0	0	0	0	112.2	S238 F243	S238-A241 PolarHBondContact O-N 2.82Å; A241-F243 HydrophobicContact CB-CE2 4.11Å; A241-F243 HydrophobicContact CB-CZ 3.99Å; A241-F243 WeakPolarHBondContact O-CE2 3.34Å
242	E	98	Very high	95.9	Very high	143 Å²	143	42.5 Å²	42.5	67%	0.668	20%	0.201	S	C	*	.			trans	-94.7	158.5	168.6	-68.7	-173	-176.7	0	0	111.1	P358 V359	E242-P358 WeakPolarHBondContact O-CA 3.04Å; E242-V359 HydrophobicContact CB-CB 4.14Å; E242-V359 HydrophobicContact CB-CG2 3.74Å; E242-V359 PolarHBondContact O-N 3.09Å
243	F	98.2	Very high	95.4	Very high	62 Å²	62	44.6 Å²	44.6	27%	0.272	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.1	-177.2	-61.1	-87.8	0	0	0	111.7	L222 L232 A241 L356 F357 P358 I365	L222-F243 HydrophobicContact CD2-CD1 4.4Å; L222-F243 HydrophobicContact CD2-CE1 3.75Å; L232-F243 HydrophobicContact CD1-CZ 4.05Å; A241-F243 HydrophobicContact CB-CE2 4.11Å; A241-F243 HydrophobicContact CB-CZ 3.99Å; A241-F243 WeakPolarHBondContact O-CE2 3.34Å; F243-L356 HydrophobicContact CB-CB 4.42Å; F243-L356 HydrophobicContact CB-CD1 4.38Å; F243-L356 HydrophobicContact CB-CD2 4.5Å; F243-L356 HydrophobicContact CD1-CB 4.42Å; F243-F357 CarbonylContact C-O 3.51Å; F243-F357 WeakPolarHBondContact CA-O 3.03Å; F243-P358 HydrophobicContact CD1-CB 4.17Å; F243-P358 HydrophobicContact CE1-CB 3.99Å; F243-I365 HydrophobicContact CE1-CD1 3.99Å; F243-I365 HydrophobicContact CZ-CD1 4.06Å
244	K	97.7	Very high	95	Very high	77 Å²	77	47.9 Å²	47.9	34%	0.335	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	142	168.6	-62.6	-77.1	162	140.3	0	109.2	L356 F357 V359 I453 S475	K244-L356 CarbonylContact O-C 3.59Å; K244-L356 WeakPolarHBondContact O-CA 3.33Å; K244-F357 PolarHBondContact N-O 2.87Å; K244-F357 PolarHBondContact O-N 2.97Å; K244-V359 HydrophobicContact CG-CG2 3.91Å; K244-I453 HydrophobicContact CB-CD1 3.67Å; K244-I453 HydrophobicContact CG-CD1 4.31Å; K244-S475 WeakPolarHBondContact CD-O 3.39Å; K244-S475 WeakPolarHBondContact CE-O 3.5Å; K244-S475 PolarHBondContact NZ-O 3.24Å
245	N	97.4	Very high	94.5	Very high	56 Å²	56	46.4 Å²	46.4	30%	0.299	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	136.4	166.2	-75.4	-37.7	0	0	0	109.4	T247 Y350 L356	N245-T247 PolarHBondContact O-N 3.17Å; N245-Y350 PolarHBondContact ND2-O 2.89Å; N245-Y350 PolarHBondContact OD1-O 3.18Å; N245-L356 VanDerWaalsContact OD1-CD2 3.28Å; N245-L356 WeakPolarHBondContact OD1-CD2 3.37Å
246	V	97.4	Very high	94.3	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-69.9	124.2	157.3	-179.4	0	0	0	0	106.5	L221 R248 T353 F355 I453 M455	L221-V246 HydrophobicContact CD1-CG2 4.16Å; L221-V246 HydrophobicContact CD2-CG2 3.81Å; V246-R248 WeakPolarHBondContact CG1-O 3.37Å; V246-T353 WeakPolarHBondContact O-CB 3.46Å; V246-T353 WeakPolarHBondContact O-CG2 3.45Å; V246-T353 PolarHBondContact O-OG1 3.47Å; V246-F355 HydrophobicContact CB-CB 3.84Å; V246-F355 HydrophobicContact CG2-CB 3.57Å; V246-F355 PolarHBondContact N-O 2.72Å; V246-I453 HydrophobicContact CB-CG2 4.35Å; V246-I453 HydrophobicContact CG1-CG2 4.3Å; V246-I453 WeakPolarHBondContact CG1-O 3.1Å; V246-I453 HydrophobicContact CG2-CG2 4Å; V246-M455 HydrophobicContact CG1-CB 4.15Å
247	T	94.9	Very high	94.2	Very high	33 Å²	33	50.1 Å²	50.1	20%	0.202	25%	0.247	C	C	.	.			trans	-95.6	-21.8	-171.8	56.5	0	0	0	0	112.9	N245 N352 Q452 I453	N245-T247 PolarHBondContact O-N 3.17Å; T247-N352 PolarHBondContact O-ND2 3.05Å; T247-Q452 VanDerWaalsContact CB-OE1 3.28Å; T247-Q452 PolarHBondContact OG1-OE1 2.79Å; T247-I453 PolarHBondContact N-O 2.87Å; T247-I453 PolarHBondContact OG1-N 3.01Å; T247-I453 VanDerWaalsContact OG1-N 3.15Å; T247-I453 PolarHBondContact OG1-O 3.16Å
248	R	95.1	Very high	94	Very high	11 Å²	11	51.8 Å²	51.8	4%	0.042	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.8	-176.3	-54.4	-170.7	-64.9	-168.9	-0.7	112	V246 L250 S443 L445 I453 S454 M455 E471	V246-R248 WeakPolarHBondContact CG1-O 3.37Å; R248-L250 HydrophobicContact CB-CD2 3.98Å; R248-L250 HydrophobicContact CB-CG 4.27Å; R248-S443 PolarHBondContact NH2-OG 3.04Å; R248-L445 PolarHBondContact NH1-O 2.77Å; R248-L445 PolarHBondContact NH2-O 3.25Å; R248-I453 PolarHBondContact N-O 3.24Å; R248-I453 VanDerWaalsContact N-O 3.13Å; R248-S454 PolarHBondContact NE-OG 2.75Å; R248-S454 PolarHBondContact NH2-OG 2.94Å; R248-S454 WeakPolarHBondContact O-CA 3.32Å; R248-M455 PolarHBondContact O-N 2.88Å; R248-E471 IonicContact CZ-OE2 3.75Å; R248-E471 IonicContact NH2-OE1 3.02Å; R248-E471 IonicContact NH2-OE2 2.74Å; R248-E471 PolarHBondContact NH2-OE2 2.91Å
249	I	96.6	Very high	93.9	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.3	159.9	-62.4	178.4	0	0	0	107	V260 F343 T353 P354 F355 M455	I249-V260 HydrophobicContact CB-CB 4.42Å; I249-V260 HydrophobicContact CG2-CB 4.05Å; I249-V260 HydrophobicContact CG2-CG2 4.17Å; I249-V260 PolarHBondContact O-N 3.17Å; I249-F343 HydrophobicContact CD1-CE2 3.62Å; I249-F343 HydrophobicContact CD1-CZ 3.47Å; I249-F343 VanDerWaalsContact CD1-CZ 3.47Å; I249-T353 HydrophobicContact CG1-CG2 4.17Å; I249-P354 HydrophobicContact CD1-CG 4.27Å; I249-F355 HydrophobicContact CD1-CD2 4.03Å; I249-F355 HydrophobicContact CD1-CE2 3.62Å; I249-F355 HydrophobicContact CG1-CD2 4.37Å; I249-F355 HydrophobicContact CG1-CE2 4.19Å; I249-M455 CarbonylContact C-O 3.56Å; I249-M455 WeakPolarHBondContact CA-O 3.25Å; I249-M455 HydrophobicContact CG1-CB 4.5Å; I249-M455 HydrophobicContact CG2-SD 4.19Å
250	L	96.1	Very high	93.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	158.9	-177.2	-45.8	178.6	0	0	0	109.4	R248 I257 E258 Q259 V444 L445 M455 V456 T457	R248-L250 HydrophobicContact CB-CD2 3.98Å; R248-L250 HydrophobicContact CB-CG 4.27Å; L250-I257 HydrophobicContact CB-CG2 3.89Å; L250-I257 HydrophobicContact CD1-CG2 3.76Å; L250-I257 HydrophobicContact CG-CG2 4.33Å; L250-E258 CarbonylContact C-O 3.58Å; L250-E258 VanDerWaalsContact CA-O 3.23Å; L250-E258 WeakPolarHBondContact CA-O 3.36Å; L250-Q259 HydrophobicContact CD2-CB 3.74Å; L250-Q259 HydrophobicContact CD2-CG 3.93Å; L250-V444 HydrophobicContact CD1-CG2 4.24Å; L250-L445 HydrophobicContact CD1-CB 3.95Å; L250-L445 HydrophobicContact CD1-CD2 4.04Å; L250-L445 HydrophobicContact CD2-CD2 3.58Å; L250-L445 HydrophobicContact CG-CD2 4.5Å; L250-M455 PolarHBondContact N-O 2.75Å; L250-V456 HydrophobicContact CB-CB 4.36Å; L250-V456 HydrophobicContact CB-CG1 4.07Å; L250-V456 HydrophobicContact CB-CG2 4Å; L250-V456 HydrophobicContact CD1-CG2 3.99Å; L250-V456 HydrophobicContact CG-CG2 4.29Å; L250-V456 WeakPolarHBondContact O-CA 3.19Å; L250-T457 PolarHBondContact O-N 3.39Å; L250-T457 PolarHBondContact O-OG1 2.89Å
251	T	95.6	Very high	93.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.9	170.9	-165.1	0	0	0	0	110.4	E258 V260 H318 F319 T457	T251-E258 HydrophobicContact CG2-CB 4.27Å; T251-E258 PolarHBondContact N-O 2.95Å; T251-E258 PolarHBondContact O-N 3.34Å; T251-V260 HydrophobicContact CG2-CG2 4Å; T251-H318 WeakPolarHBondContact CG2-NE2 3.46Å; T251-H318 PolarHBondContact OG1-NE2 3.48Å; T251-F319 HydrophobicContact CG2-CD1 4.03Å; T251-F319 HydrophobicContact CG2-CE1 3.73Å; T251-T457 CarbonylContact C-O 3.55Å; T251-T457 WeakPolarHBondContact CA-O 3.37Å; T251-T457 WeakPolarHBondContact CB-OG1 3.43Å; T251-T457 PolarHBondContact OG1-O 3.23Å; T251-T457 PolarHBondContact OG1-OG1 2.95Å
252	Y	93.5	Very high	92.8	Very high	18 Å²	18	43.7 Å²	43.7	7%	0.071	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.4	176	-168.4	-110.2	0	0	0	110	G255 N256 I257 T457 V458 P459 L503 R506 M507	Y252-G255 VanDerWaalsContact CE2-O 3.28Å; Y252-G255 WeakPolarHBondContact CE2-O 3.34Å; Y252-G255 WeakPolarHBondContact OH-CA 3.42Å; Y252-G255 PolarHBondContact OH-O 3.32Å; Y252-N256 WeakPolarHBondContact CA-O 3.21Å; Y252-N256 VanDerWaalsContact CD2-O 3.22Å; Y252-N256 WeakPolarHBondContact CD2-O 3.21Å; Y252-I257 HydrophobicContact CD2-CG1 3.7Å; Y252-I257 HydrophobicContact CE2-CG1 4.2Å; Y252-T457 PolarHBondContact N-O 2.99Å; Y252-V458 HydrophobicContact CD1-CG1 4.07Å; Y252-P459 WeakPolarHBondContact O-CD 3.44Å; Y252-L503 HydrophobicContact CD1-CD1 4.4Å; Y252-L503 HydrophobicContact CE1-CD1 4.36Å; Y252-R506 WeakPolarHBondContact OH-CD 3.09Å; Y252-M507 HydrophobicContact CD2-CE 3.9Å; Y252-M507 HydrophobicContact CD2-CG 4.32Å; Y252-M507 HydrophobicContact CD2-SD 4.31Å; Y252-M507 HydrophobicContact CE2-CE 4.34Å; Y252-M507 HydrophobicContact CE2-CG 3.93Å; Y252-M507 HydrophobicContact CE2-SD 4.5Å; Y252-M507 HydrophobicContact CG-CE 4.39Å; Y252-M507 HydrophobicContact CG-SD 4.46Å
253	R	88	Confident	92	Very high	49 Å²	49	38.7 Å²	38.7	19%	0.185	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	131.6	-176	-157.3	-175.9	-172.5	-155.1	-4	111.4	G255 N256 N315 H318	R253-G255 PolarHBondContact O-N 3.01Å; R253-N256 PolarHBondContact N-O 3.27Å; R253-N256 PolarHBondContact O-N 3.01Å; R253-N315 PolarHBondContact NH1-OD1 3.03Å; R253-H318 VanDerWaalsContact CD-CE1 3.46Å; R253-H318 WeakPolarHBondContact CD-CE1 3.47Å; R253-H318 WeakPolarHBondContact CD-ND1 3.29Å; R253-H318 VanDerWaalsContact CG-CE1 3.49Å; R253-H318 WeakPolarHBondContact CG-CE1 3.23Å; R253-H318 PolarHBondContact NE-ND1 3.4Å; R253-H318 VanDerWaalsContact NE-ND1 3.19Å
254	H	85.4	Confident	91.1	Very high	146 Å²	146	44.7 Å²	44.7	68%	0.676	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	32.7	177.2	-47.9	128.7	0	0	0	114.9
255	G	85.8	Confident	90.4	Very high	42 Å²	42	44.2 Å²	44.2	43%	0.433	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	-14.3	-177.4	0	0	0	0	0	115.6	Y252 R253	Y252-G255 VanDerWaalsContact CE2-O 3.28Å; Y252-G255 WeakPolarHBondContact CE2-O 3.34Å; Y252-G255 WeakPolarHBondContact OH-CA 3.42Å; Y252-G255 PolarHBondContact OH-O 3.32Å; R253-G255 PolarHBondContact O-N 3.01Å
256	N	88.8	Confident	89.8	Confident	97 Å²	97	43.5 Å²	43.5	52%	0.519	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	157.4	-174.1	-58	-66.5	0	0	0	112.5	Y252 R253	Y252-N256 WeakPolarHBondContact CA-O 3.21Å; Y252-N256 VanDerWaalsContact CD2-O 3.22Å; Y252-N256 WeakPolarHBondContact CD2-O 3.21Å; R253-N256 PolarHBondContact N-O 3.27Å; R253-N256 PolarHBondContact O-N 3.01Å
257	I	92.8	Very high	89.3	Confident	38 Å²	38	43.7 Å²	43.7	20%	0.195	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.5	170	-63.5	166.4	0	0	0	108.1	L250 Y252 V444 L445 M507	L250-I257 HydrophobicContact CB-CG2 3.89Å; L250-I257 HydrophobicContact CD1-CG2 3.76Å; L250-I257 HydrophobicContact CG-CG2 4.33Å; Y252-I257 HydrophobicContact CD2-CG1 3.7Å; Y252-I257 HydrophobicContact CE2-CG1 4.2Å; I257-V444 HydrophobicContact CD1-CB 3.72Å; I257-V444 HydrophobicContact CD1-CG2 3.95Å; I257-V444 VanDerWaalsContact CD1-O 3.28Å; I257-V444 WeakPolarHBondContact CD1-O 3.37Å; I257-L445 HydrophobicContact CG2-CB 4.42Å; I257-M507 HydrophobicContact CD1-CE 3.65Å; I257-M507 HydrophobicContact CG1-CE 3.96Å
258	E	91.1	Very high	88.7	Confident	37 Å²	37	49.5 Å²	49.5	17%	0.173	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.4	-176.2	-64.7	-173.3	-179.1	0	0	110.7	L250 T251	L250-E258 CarbonylContact C-O 3.58Å; L250-E258 VanDerWaalsContact CA-O 3.23Å; L250-E258 WeakPolarHBondContact CA-O 3.36Å; T251-E258 HydrophobicContact CG2-CB 4.27Å; T251-E258 PolarHBondContact N-O 2.95Å; T251-E258 PolarHBondContact O-N 3.34Å
259	Q	91.8	Very high	88.3	Confident	80 Å²	80	52.6 Å²	52.6	37%	0.374	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	121.5	177.7	-178	174	-6.9	0	0	111.1	L250 P261 Q272	L250-Q259 HydrophobicContact CD2-CB 3.74Å; L250-Q259 HydrophobicContact CD2-CG 3.93Å; Q259-P261 WeakPolarHBondContact O-CD 3.24Å; Q259-Q272 PolarHBondContact O-OE1 3.4Å
260	V	91.6	Very high	87.7	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.012	29%	0.286	C	S	.	.			trans	-78.7	125.8	-179.7	-174.8	0	0	0	0	109.2	I249 T251 C262 F319	I249-V260 HydrophobicContact CB-CB 4.42Å; I249-V260 HydrophobicContact CG2-CB 4.05Å; I249-V260 HydrophobicContact CG2-CG2 4.17Å; I249-V260 PolarHBondContact O-N 3.17Å; T251-V260 HydrophobicContact CG2-CG2 4Å; V260-C262 PolarHBondContact O-N 3.22Å; V260-C262 PolarHBondContact O-SG 2.93Å; V260-C262 VanDerWaalsContact O-SG 3.41Å; V260-F319 HydrophobicContact CG1-CB 4.3Å; V260-F319 HydrophobicContact CG1-CD1 4.21Å; V260-F319 HydrophobicContact CG1-CG 4.28Å; V260-F319 HydrophobicContact CG2-CD1 3.94Å; V260-F319 HydrophobicContact CG2-CE1 4.19Å
261	P	89	Confident	87.2	Confident	11 Å²	11	65.4 Å²	65.4	7%	0.071	33%	0.332	C	S	.	.			trans	-67.3	113.8	178.4	-24.2	36.4	0	0	0	112.6	Q259 D266 V267 L273	Q259-P261 WeakPolarHBondContact O-CD 3.24Å; P261-D266 HydrophobicContact CB-CB 3.82Å; P261-V267 HydrophobicContact CB-CB 4.45Å; P261-V267 HydrophobicContact CB-CG2 3.66Å; P261-L273 HydrophobicContact CG-CD1 4.17Å
262	C	83.3	Confident	86.5	Confident	13 Å²	13	69.2 Å²	69.2	9%	0.088	35%	0.35	C	S	.	.			trans	-90.8	-33.7	-177.4	-57.6	0	0	0	0	113.3	V260 D266 L347 N352	V260-C262 PolarHBondContact O-N 3.22Å; V260-C262 PolarHBondContact O-SG 2.93Å; V260-C262 VanDerWaalsContact O-SG 3.41Å; C262-D266 PolarHBondContact N-OD2 3.1Å; C262-L347 HydrophobicContact CB-CD2 4.1Å; C262-L347 VanDerWaalsContact O-CD1 3.3Å; C262-L347 WeakPolarHBondContact O-CD1 3.42Å; C262-N352 WeakPolarHBondContact CB-O 3.44Å
263	S	81	Confident	86.1	Confident	39 Å²	39	68.8 Å²	68.8	27%	0.273	35%	0.348	S	S	.	.	S	Bend	trans	-115	166.9	-176.4	75.6	0	0	0	0	112.9	A265 D266 V267	S263-A265 PolarHBondContact O-N 2.93Å; S263-A265 PolarHBondContact OG-N 2.98Å; S263-D266 WeakPolarHBondContact CA-OD2 3.08Å; S263-D266 VanDerWaalsContact CB-OD2 3.25Å; S263-D266 WeakPolarHBondContact CB-OD2 3.5Å; S263-D266 PolarHBondContact N-OD2 3.25Å; S263-D266 PolarHBondContact O-N 2.85Å; S263-D266 VanDerWaalsContact O-N 3.16Å; S263-D266 PolarHBondContact OG-N 2.98Å; S263-D266 VanDerWaalsContact OG-N 3.15Å; S263-D266 PolarHBondContact OG-OD2 3.1Å; S263-V267 WeakPolarHBondContact O-CG2 3.43Å; S263-V267 PolarHBondContact O-N 3.32Å
264	R	79.3	Confident	86.1	Confident	188 Å²	188	69 Å²	69	71%	0.709	36%	0.357	S	S	*	.	H	α-helix	trans	-54.6	-37.9	169.9	-81.7	-177.3	-80.8	-179.9	-5.5	112	V267 F268 M282	R264-V267 PolarHBondContact O-N 3.35Å; R264-F268 WeakPolarHBondContact O-CD2 3.43Å; R264-F268 PolarHBondContact O-N 2.94Å; R264-M282 HydrophobicContact CG-CE 3.62Å; R264-M282 HydrophobicContact CG-SD 3.95Å
265	A	83.6	Confident	86.2	Confident	67 Å²	67	66.4 Å²	66.4	55%	0.554	35%	0.352	S	S	*	.	H	α-helix	trans	-65.3	-45.4	177.5	0	0	0	0	0	111.4	S263 V267 F268 A269	S263-A265 PolarHBondContact O-N 2.93Å; S263-A265 PolarHBondContact OG-N 2.98Å; A265-V267 VanDerWaalsContact C-N 3.34Å; A265-V267 PolarHBondContact O-N 3.01Å; A265-F268 PolarHBondContact O-N 3.38Å; A265-F268 VanDerWaalsContact O-N 3.16Å; A265-A269 WeakPolarHBondContact O-CB 3.34Å; A265-A269 PolarHBondContact O-N 3.42Å
266	D	86	Confident	86.4	Confident	40 Å²	40	68.9 Å²	68.9	21%	0.214	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-40.5	177.5	-50.6	-46.4	0	0	0	111.5	P261 C262 S263 F268 A269 S270	P261-D266 HydrophobicContact CB-CB 3.82Å; C262-D266 PolarHBondContact N-OD2 3.1Å; S263-D266 WeakPolarHBondContact CA-OD2 3.08Å; S263-D266 VanDerWaalsContact CB-OD2 3.25Å; S263-D266 WeakPolarHBondContact CB-OD2 3.5Å; S263-D266 PolarHBondContact N-OD2 3.25Å; S263-D266 PolarHBondContact O-N 2.85Å; S263-D266 VanDerWaalsContact O-N 3.16Å; S263-D266 PolarHBondContact OG-N 2.98Å; S263-D266 VanDerWaalsContact OG-N 3.15Å; S263-D266 PolarHBondContact OG-OD2 3.1Å; D266-F268 VanDerWaalsContact C-N 3.31Å; D266-F268 PolarHBondContact O-N 3.24Å; D266-A269 PolarHBondContact O-N 3.4Å; D266-S270 VanDerWaalsContact O-CB 3.28Å; D266-S270 WeakPolarHBondContact O-CB 3.33Å; D266-S270 PolarHBondContact O-N 2.99Å
267	V	85.6	Confident	86.4	Confident	5 Å²	5	66.4 Å²	66.4	3%	0.03	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-39.8	175.5	174	0	0	0	0	110.5	P261 S263 R264 A265 K278 L281 M282	P261-V267 HydrophobicContact CB-CB 4.45Å; P261-V267 HydrophobicContact CB-CG2 3.66Å; S263-V267 WeakPolarHBondContact O-CG2 3.43Å; S263-V267 PolarHBondContact O-N 3.32Å; R264-V267 PolarHBondContact O-N 3.35Å; A265-V267 VanDerWaalsContact C-N 3.34Å; A265-V267 PolarHBondContact O-N 3.01Å; V267-K278 HydrophobicContact CG1-CB 3.97Å; V267-K278 HydrophobicContact CG1-CG 3.93Å; V267-K278 WeakPolarHBondContact O-CD 3.31Å; V267-K278 WeakPolarHBondContact O-CE 3.28Å; V267-K278 WeakPolarHBondContact O-CG 3.45Å; V267-K278 PolarHBondContact O-NZ 3.05Å; V267-L281 HydrophobicContact CG2-CD2 3.99Å; V267-M282 HydrophobicContact CB-SD 4.48Å; V267-M282 HydrophobicContact CG1-CG 4.09Å; V267-M282 HydrophobicContact CG1-SD 4.3Å; V267-M282 HydrophobicContact CG2-SD 4.39Å
268	F	83.7	Confident	86.3	Confident	156 Å²	156	66.3 Å²	66.3	68%	0.684	34%	0.341	S	S	*	.	H	α-helix	trans	-68.3	-44.4	173.4	-78	-62.1	0	0	0	112.6	R264 A265 D266 K278	R264-F268 WeakPolarHBondContact O-CD2 3.43Å; R264-F268 PolarHBondContact O-N 2.94Å; A265-F268 PolarHBondContact O-N 3.38Å; A265-F268 VanDerWaalsContact O-N 3.16Å; D266-F268 VanDerWaalsContact C-N 3.31Å; D266-F268 PolarHBondContact O-N 3.24Å; F268-K278 PolarHBondContact O-NZ 3.01Å
269	A	85.1	Confident	86.2	Confident	76 Å²	76	72.7 Å²	72.7	63%	0.628	36%	0.364	S	S	*	.	H	α-helix	trans	-72.4	-29.1	-177	0	0	0	0	0	114.4	A265 D266 R271	A265-A269 WeakPolarHBondContact O-CB 3.34Å; A265-A269 PolarHBondContact O-N 3.42Å; D266-A269 PolarHBondContact O-N 3.4Å; A269-R271 PolarHBondContact O-N 2.93Å
270	S	85	Confident	86.1	Confident	18 Å²	18	71.6 Å²	71.6	13%	0.126	36%	0.358	C	S	.	.			trans	-55.4	127.8	-174.3	174.8	0	0	0	0	112.4	D266 Q272 K278	D266-S270 VanDerWaalsContact O-CB 3.28Å; D266-S270 WeakPolarHBondContact O-CB 3.33Å; D266-S270 PolarHBondContact O-N 2.99Å; S270-Q272 PolarHBondContact OG-N 3.34Å; S270-K278 VanDerWaalsContact O-CE 3.25Å; S270-K278 WeakPolarHBondContact O-CE 3.43Å; S270-K278 PolarHBondContact O-NZ 2.92Å
271	R	84.8	Confident	85.9	Confident	251 Å²	251	71.7 Å²	71.7	95%	0.947	36%	0.359	S	S	*	.	S	Bend	trans	-88.1	-10.1	174.4	-60.9	-177.8	-176.3	176.8	2.2	113	A269	A269-R271 PolarHBondContact O-N 2.93Å
272	Q	81.1	Confident	85.9	Confident	81 Å²	81	73.6 Å²	73.6	38%	0.379	37%	0.367	S	S	.	.	S	Bend	trans	-83.7	-20.8	-178.8	-66.4	168.2	-30.2	0	0	113.1	Q259 S270	Q259-Q272 PolarHBondContact O-OE1 3.4Å; S270-Q272 PolarHBondContact OG-N 3.34Å
273	L	84.9	Confident	86.1	Confident	9 Å²	9	81 Å²	81	5%	0.047	39%	0.393	C	S	.	.	S	Bend	trans	-103.8	133.1	-179.8	-65.1	-179.7	0	0	0	111.7	P261 E277 K278 L281 L316 F319	P261-L273 HydrophobicContact CG-CD1 4.17Å; L273-E277 HydrophobicContact CB-CB 4.38Å; L273-E277 HydrophobicContact CD2-CB 4.14Å; L273-K278 HydrophobicContact CB-CD 4.48Å; L273-K278 HydrophobicContact CB-CG 3.79Å; L273-K278 HydrophobicContact CD1-CG 4.33Å; L273-K278 WeakPolarHBondContact O-CE 3.36Å; L273-L281 HydrophobicContact CD1-CD2 4.05Å; L273-L316 HydrophobicContact CD1-CD2 4.36Å; L273-L316 HydrophobicContact CD2-CD2 3.69Å; L273-F319 HydrophobicContact CD2-CE2 3.99Å
274	S	89.3	Confident	86.5	Confident	53 Å²	53	79.4 Å²	79.4	37%	0.371	38%	0.381	S	S	.	.			trans	-68.3	161.4	168.1	71.1	0	0	0	0	112	V276 E277 K278	S274-V276 PolarHBondContact O-N 3.32Å; S274-V276 VanDerWaalsContact O-N 3.17Å; S274-E277 WeakPolarHBondContact CB-OE2 3.32Å; S274-E277 PolarHBondContact N-OE2 2.68Å; S274-E277 PolarHBondContact O-N 2.72Å; S274-E277 VanDerWaalsContact O-N 3.13Å; S274-E277 WeakPolarHBondContact OG-CG 3.37Å; S274-E277 PolarHBondContact OG-N 3.23Å; S274-E277 PolarHBondContact OG-OE2 2.96Å; S274-K278 WeakPolarHBondContact O-CG 3.32Å; S274-K278 PolarHBondContact O-N 3Å
275	V	87.7	Confident	86.8	Confident	92 Å²	92	71.6 Å²	71.6	56%	0.558	35%	0.354	S	S	*	.	H	α-helix	trans	-58.9	-28.3	175.3	-178.7	0	0	0	0	112.1	R279	V275-R279 VanDerWaalsContact O-CG 3.27Å; V275-R279 WeakPolarHBondContact O-CG 3.4Å; V275-R279 PolarHBondContact O-N 3.23Å
276	V	88.9	Confident	86.9	Confident	94 Å²	94	72.9 Å²	72.9	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-73.9	-44.3	176.3	179.9	0	0	0	0	110.8	S274 R279 K280	S274-V276 PolarHBondContact O-N 3.32Å; S274-V276 VanDerWaalsContact O-N 3.17Å; V276-R279 PolarHBondContact O-N 2.68Å; V276-K280 PolarHBondContact O-N 3.4Å
277	E	89.8	Confident	86.9	Confident	44 Å²	44	73.4 Å²	73.4	21%	0.206	36%	0.361	C	S	.	.	H	α-helix	trans	-64.5	-44.2	177.4	-72.8	160.4	110.1	0	0	111.9	L273 S274 R279 K280 L281 L316	L273-E277 HydrophobicContact CB-CB 4.38Å; L273-E277 HydrophobicContact CD2-CB 4.14Å; S274-E277 WeakPolarHBondContact CB-OE2 3.32Å; S274-E277 PolarHBondContact N-OE2 2.68Å; S274-E277 PolarHBondContact O-N 2.72Å; S274-E277 VanDerWaalsContact O-N 3.13Å; S274-E277 WeakPolarHBondContact OG-CG 3.37Å; S274-E277 PolarHBondContact OG-N 3.23Å; S274-E277 PolarHBondContact OG-OE2 2.96Å; E277-R279 PolarHBondContact O-N 3.4Å; E277-K280 WeakPolarHBondContact O-CA 3.35Å; E277-K280 PolarHBondContact O-N 3.41Å; E277-L281 WeakPolarHBondContact O-CB 3.39Å; E277-L281 PolarHBondContact O-N 3.08Å; E277-L316 HydrophobicContact CB-CD1 3.99Å; E277-L316 HydrophobicContact CB-CD2 4.28Å; E277-L316 HydrophobicContact CB-CG 4.26Å; E277-L316 HydrophobicContact CG-CD1 4.23Å; E277-L316 HydrophobicContact CG-CG 4.37Å
278	K	89.4	Confident	86.9	Confident	36 Å²	36	73.2 Å²	73.2	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-53.6	-41.5	173.6	-67.3	175.9	-178.6	-169.6	0	111.9	V267 F268 S270 L273 S274 M282	V267-K278 HydrophobicContact CG1-CB 3.97Å; V267-K278 HydrophobicContact CG1-CG 3.93Å; V267-K278 WeakPolarHBondContact O-CD 3.31Å; V267-K278 WeakPolarHBondContact O-CE 3.28Å; V267-K278 WeakPolarHBondContact O-CG 3.45Å; V267-K278 PolarHBondContact O-NZ 3.05Å; F268-K278 PolarHBondContact O-NZ 3.01Å; S270-K278 VanDerWaalsContact O-CE 3.25Å; S270-K278 WeakPolarHBondContact O-CE 3.43Å; S270-K278 PolarHBondContact O-NZ 2.92Å; L273-K278 HydrophobicContact CB-CD 4.48Å; L273-K278 HydrophobicContact CB-CG 3.79Å; L273-K278 HydrophobicContact CD1-CG 4.33Å; L273-K278 WeakPolarHBondContact O-CE 3.36Å; S274-K278 WeakPolarHBondContact O-CG 3.32Å; S274-K278 PolarHBondContact O-N 3Å; K278-M282 WeakPolarHBondContact O-CB 3.46Å; K278-M282 WeakPolarHBondContact O-CG 3.18Å; K278-M282 PolarHBondContact O-N 3.32Å
279	R	88.7	Confident	86.6	Confident	171 Å²	171	69.6 Å²	69.6	65%	0.645	35%	0.351	S	S	*	.	H	α-helix	trans	-75.3	-22.9	175.9	-69.6	173.7	-174.8	-176.6	3.2	114.3	V275 V276 E277 R283	V275-R279 VanDerWaalsContact O-CG 3.27Å; V275-R279 WeakPolarHBondContact O-CG 3.4Å; V275-R279 PolarHBondContact O-N 3.23Å; V276-R279 PolarHBondContact O-N 2.68Å; E277-R279 PolarHBondContact O-N 3.4Å; R279-R283 WeakPolarHBondContact O-CG 3.2Å; R279-R283 PolarHBondContact O-NE 2.89Å
280	K	89.9	Confident	86.3	Confident	58 Å²	58	73.2 Å²	73.2	25%	0.252	35%	0.354	S	S	.	.	H	α-helix	trans	-77.3	-53.3	171.4	-77.8	-174.2	172.5	-172.3	0	110	V276 E277 M282 R283 F284 Q311 L312 L316	V276-K280 PolarHBondContact O-N 3.4Å; E277-K280 WeakPolarHBondContact O-CA 3.35Å; E277-K280 PolarHBondContact O-N 3.41Å; K280-M282 PolarHBondContact O-N 3.08Å; K280-R283 PolarHBondContact O-N 2.8Å; K280-R283 VanDerWaalsContact O-N 3.15Å; K280-F284 PolarHBondContact O-N 3.37Å; K280-Q311 WeakPolarHBondContact CE-O 2.83Å; K280-Q311 PolarHBondContact NZ-O 2.92Å; K280-L312 HydrophobicContact CB-CD2 4.2Å; K280-L316 HydrophobicContact CB-CD1 3.9Å
281	L	88.3	Confident	85.9	Confident	4 Å²	4	79 Å²	79	2%	0.021	38%	0.379	C	S	.	.	H	α-helix	trans	-53.6	-53.3	177.6	-177.5	61.4	0	0	0	111.8	V267 L273 E277 R283 F284 L285 L316 L320	V267-L281 HydrophobicContact CG2-CD2 3.99Å; L273-L281 HydrophobicContact CD1-CD2 4.05Å; E277-L281 WeakPolarHBondContact O-CB 3.39Å; E277-L281 PolarHBondContact O-N 3.08Å; L281-R283 VanDerWaalsContact C-N 3.26Å; L281-R283 PolarHBondContact O-N 3.45Å; L281-F284 PolarHBondContact O-N 2.98Å; L281-F284 VanDerWaalsContact O-N 3.16Å; L281-L285 HydrophobicContact CD1-CD1 3.94Å; L281-L285 HydrophobicContact CD1-CD2 4.13Å; L281-L285 HydrophobicContact CD1-CG 3.86Å; L281-L285 HydrophobicContact CG-CD1 3.96Å; L281-L285 HydrophobicContact CG-CG 4.22Å; L281-L285 WeakPolarHBondContact O-CG 3.45Å; L281-L285 PolarHBondContact O-N 3.41Å; L281-L316 HydrophobicContact CB-CD1 4.2Å; L281-L316 HydrophobicContact CB-CD2 3.98Å; L281-L316 HydrophobicContact CD1-CD2 4.38Å; L281-L316 HydrophobicContact CD2-CD2 4.17Å; L281-L316 HydrophobicContact CG-CD2 4.4Å; L281-L320 HydrophobicContact CD1-CD1 4.27Å; L281-L320 HydrophobicContact CD1-CD2 4.02Å; L281-L320 HydrophobicContact CD1-CG 4.25Å
282	M	87.8	Confident	85.7	Confident	51 Å²	51	69.4 Å²	69.4	25%	0.251	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-30.6	-179	-75.2	-54.8	-43.7	0	0	113.9	R264 V267 K278 K280 T286	R264-M282 HydrophobicContact CG-CE 3.62Å; R264-M282 HydrophobicContact CG-SD 3.95Å; V267-M282 HydrophobicContact CB-SD 4.48Å; V267-M282 HydrophobicContact CG1-CG 4.09Å; V267-M282 HydrophobicContact CG1-SD 4.3Å; V267-M282 HydrophobicContact CG2-SD 4.39Å; K278-M282 WeakPolarHBondContact O-CB 3.46Å; K278-M282 WeakPolarHBondContact O-CG 3.18Å; K278-M282 PolarHBondContact O-N 3.32Å; K280-M282 PolarHBondContact O-N 3.08Å; M282-T286 WeakPolarHBondContact O-CB 3.41Å; M282-T286 PolarHBondContact O-N 2.9Å; M282-T286 PolarHBondContact O-OG1 2.52Å
283	R	87.9	Confident	85.6	Confident	168 Å²	168	74.1 Å²	74.1	63%	0.634	37%	0.371	S	S	*	.	H	α-helix	trans	-72.2	-47.5	173.9	-75	-176.1	-63.3	144	6.3	111.1	R279 K280 L281 T286 S287	R279-R283 WeakPolarHBondContact O-CG 3.2Å; R279-R283 PolarHBondContact O-NE 2.89Å; K280-R283 PolarHBondContact O-N 2.8Å; K280-R283 VanDerWaalsContact O-N 3.15Å; L281-R283 VanDerWaalsContact C-N 3.26Å; L281-R283 PolarHBondContact O-N 3.45Å; R283-T286 WeakPolarHBondContact O-CB 3.36Å; R283-T286 PolarHBondContact O-N 2.93Å; R283-T286 VanDerWaalsContact O-N 3.1Å; R283-S287 PolarHBondContact O-N 2.87Å; R283-S287 PolarHBondContact O-OG 3.22Å
284	F	89.1	Confident	85.4	Confident	6 Å²	6	78.8 Å²	78.8	3%	0.026	39%	0.392	C	S	.	.	H	α-helix	trans	-58.8	-49.1	177.7	-178.8	-94.2	0	0	0	112.3	K280 L281 T286 S287 C288 F306 L307 Q310 L312 L320	K280-F284 PolarHBondContact O-N 3.37Å; L281-F284 PolarHBondContact O-N 2.98Å; L281-F284 VanDerWaalsContact O-N 3.16Å; F284-T286 PolarHBondContact O-N 2.97Å; F284-S287 WeakPolarHBondContact CA-OG 3.46Å; F284-S287 PolarHBondContact O-N 3.25Å; F284-S287 VanDerWaalsContact O-N 3.13Å; F284-S287 PolarHBondContact O-OG 3.44Å; F284-C288 WeakPolarHBondContact CE1-SG 3.46Å; F284-C288 WeakPolarHBondContact CZ-SG 3.43Å; F284-C288 PolarHBondContact O-N 2.7Å; F284-C288 PolarHBondContact O-SG 3.49Å; F284-F306 AromaticContact CE2-CE1 3.67Å; F284-F306 HydrophobicContact CE2-CE1 3.67Å; F284-F306 HydrophobicContact CE2-CZ 4.27Å; F284-F306 AromaticContact CZ-CE1 3.98Å; F284-F306 HydrophobicContact CZ-CE1 3.98Å; F284-L307 HydrophobicContact CE1-CD2 3.99Å; F284-L307 HydrophobicContact CE2-CD2 4.02Å; F284-L307 HydrophobicContact CZ-CD2 3.46Å; F284-L307 VanDerWaalsContact CZ-CD2 3.46Å; F284-Q310 HydrophobicContact CD2-CB 4.32Å; F284-Q310 HydrophobicContact CD2-CG 4.23Å; F284-Q310 HydrophobicContact CE2-CB 4.39Å; F284-Q310 HydrophobicContact CE2-CG 3.99Å; F284-L312 HydrophobicContact CB-CD2 4.31Å; F284-L312 HydrophobicContact CD2-CD1 3.96Å; F284-L312 HydrophobicContact CE2-CD1 4.19Å; F284-L312 HydrophobicContact CG-CD1 4.15Å; F284-L320 HydrophobicContact CD1-CD1 3.59Å; F284-L320 HydrophobicContact CD1-CD2 3.78Å; F284-L320 HydrophobicContact CD1-CG 4.35Å; F284-L320 HydrophobicContact CE1-CD1 3.7Å; F284-L320 HydrophobicContact CE1-CD2 3.71Å; F284-L320 HydrophobicContact CE1-CG 4.25Å; F284-L320 HydrophobicContact CG-CD1 4.3Å; F284-L320 HydrophobicContact CZ-CD1 4.47Å
285	L	86.8	Confident	85.1	Confident	24 Å²	24	76.7 Å²	76.7	13%	0.126	38%	0.377	C	S	.	.	H	α-helix	trans	-61.9	-26.7	177.1	-62	-176.7	0	0	0	112.7	L281 L320 L344	L281-L285 HydrophobicContact CD1-CD1 3.94Å; L281-L285 HydrophobicContact CD1-CD2 4.13Å; L281-L285 HydrophobicContact CD1-CG 3.86Å; L281-L285 HydrophobicContact CG-CD1 3.96Å; L281-L285 HydrophobicContact CG-CG 4.22Å; L281-L285 WeakPolarHBondContact O-CG 3.45Å; L281-L285 PolarHBondContact O-N 3.41Å; L285-L320 HydrophobicContact CD2-CD2 3.61Å; L285-L344 HydrophobicContact CB-CD1 4.33Å; L285-L344 HydrophobicContact CB-CD2 4.48Å; L285-L344 HydrophobicContact CD1-CD2 4.36Å; L285-L344 HydrophobicContact CD2-CD1 4.13Å; L285-L344 HydrophobicContact CD2-CD2 4.14Å
286	T	85.5	Confident	84.9	Confident	93 Å²	93	76 Å²	76	57%	0.571	37%	0.373	S	S	*	.	H	α-helix	trans	-76	-44.7	173.9	-54.6	0	0	0	0	111.2	M282 R283 F284 C288 V289	M282-T286 WeakPolarHBondContact O-CB 3.41Å; M282-T286 PolarHBondContact O-N 2.9Å; M282-T286 PolarHBondContact O-OG1 2.52Å; R283-T286 WeakPolarHBondContact O-CB 3.36Å; R283-T286 PolarHBondContact O-N 2.93Å; R283-T286 VanDerWaalsContact O-N 3.1Å; F284-T286 PolarHBondContact O-N 2.97Å; T286-C288 VanDerWaalsContact C-N 3.27Å; T286-C288 PolarHBondContact O-N 3.36Å; T286-V289 WeakPolarHBondContact O-CG2 3.12Å; T286-V289 PolarHBondContact O-N 2.8Å
287	S	86.4	Confident	85	Confident	52 Å²	52	75 Å²	75	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-70.2	-18.8	178.3	53.3	0	0	0	0	114	R283 F284 V289 Q295	R283-S287 PolarHBondContact O-N 2.87Å; R283-S287 PolarHBondContact O-OG 3.22Å; F284-S287 WeakPolarHBondContact CA-OG 3.46Å; F284-S287 PolarHBondContact O-N 3.25Å; F284-S287 VanDerWaalsContact O-N 3.13Å; F284-S287 PolarHBondContact O-OG 3.44Å; S287-V289 VanDerWaalsContact C-N 3.33Å; S287-Q295 PolarHBondContact O-NE2 2.87Å
288	C	84.3	Confident	85.1	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.2	171.8	-71.1	0	0	0	0	114.5	F284 T286 E290 T340 R341 L344	F284-C288 WeakPolarHBondContact CE1-SG 3.46Å; F284-C288 WeakPolarHBondContact CZ-SG 3.43Å; F284-C288 PolarHBondContact O-N 2.7Å; F284-C288 PolarHBondContact O-SG 3.49Å; T286-C288 VanDerWaalsContact C-N 3.27Å; T286-C288 PolarHBondContact O-N 3.36Å; C288-E290 VanDerWaalsContact C-N 3.34Å; C288-E290 PolarHBondContact O-N 2.89Å; C288-T340 HydrophobicContact CB-CG2 4.23Å; C288-R341 WeakPolarHBondContact O-CG 3.25Å; C288-R341 PolarHBondContact O-NE 2.65Å; C288-L344 HydrophobicContact CB-CD1 4.22Å
289	V	77.6	Confident	85.2	Confident	80 Å²	80	79 Å²	79	49%	0.485	39%	0.392	S	S	.	.	S	Bend	trans	-65.5	-39.3	-174	178.5	0	0	0	0	111.9	T286 S287	T286-V289 WeakPolarHBondContact O-CG2 3.12Å; T286-V289 PolarHBondContact O-N 2.8Å; S287-V289 VanDerWaalsContact C-N 3.33Å
290	E	78.8	Confident	85.3	Confident	152 Å²	152	73.5 Å²	73.5	71%	0.71	39%	0.389	S	S	*	.	S	Bend	trans	-106.8	173.8	179.1	-64.4	-178.8	172.3	0	0	110.7	C288 Q295 R341	C288-E290 VanDerWaalsContact C-N 3.34Å; C288-E290 PolarHBondContact O-N 2.89Å; E290-Q295 PolarHBondContact O-OE1 2.86Å; E290-R341 PolarHBondContact O-NH2 3.37Å
291	E	76.7	Confident	85.6	Confident	139 Å²	139	74.9 Å²	74.9	65%	0.65	39%	0.393	S	S	*	.			trans	-107.8	134.2	178.9	-163.1	152	136.4	0	0	111.6	R341	E291-R341 VanDerWaalsContact CA-NH2 3.27Å; E291-R341 IonicContact OE2-CZ 3.94Å; E291-R341 IonicContact OE2-NH1 2.82Å; E291-R341 PolarHBondContact OE2-NH1 2.92Å; E291-R341 IonicContact OE2-NH2 3.98Å; E291-R341 PolarHBondContact OE2-NH2 3.45Å
292	T	81.6	Confident	86	Confident	50 Å²	50	76.5 Å²	76.5	31%	0.307	40%	0.403	S	S	.	.			trans	-127.1	150.2	-173.6	71.3	0	0	0	0	111.6	E294 Q295 T296	T292-E294 PolarHBondContact O-N 3.1Å; T292-E294 VanDerWaalsContact O-N 3.13Å; T292-Q295 WeakPolarHBondContact O-CB 3.27Å; T292-Q295 PolarHBondContact O-N 2.82Å; T292-Q295 WeakPolarHBondContact OG1-CG 3.41Å; T292-Q295 PolarHBondContact OG1-N 2.9Å; T292-T296 PolarHBondContact O-N 2.56Å; T292-T296 PolarHBondContact O-OG1 2.85Å
293	E	78.3	Confident	86.4	Confident	180 Å²	180	74 Å²	74	84%	0.841	39%	0.391	S	S	*	.	H	α-helix	trans	-55.3	-31.7	176.6	-58.4	-178.8	158.1	0	0	112.3	T296 A297	E293-T296 PolarHBondContact O-N 3.05Å; E293-A297 PolarHBondContact O-N 2.87Å; E293-A297 VanDerWaalsContact O-N 3.13Å
294	E	79.8	Confident	86.7	Confident	107 Å²	107	67.8 Å²	67.8	50%	0.5	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-40	174.2	-175.8	-179.9	-172.5	0	0	112.3	T292 A297 Y298 Q310	T292-E294 PolarHBondContact O-N 3.1Å; T292-E294 VanDerWaalsContact O-N 3.13Å; E294-A297 PolarHBondContact O-N 3.22Å; E294-Y298 WeakPolarHBondContact O-CD2 3.45Å; E294-Q310 PolarHBondContact OE1-NE2 3.47Å
295	Q	83.9	Confident	86.9	Confident	9 Å²	9	71 Å²	71	4%	0.042	39%	0.385	C	S	.	.	H	α-helix	trans	-69.5	-42.1	175.9	-66.7	161.1	5.5	0	0	110.9	S287 E290 T292 A297 Y298 F306 L337	S287-Q295 PolarHBondContact O-NE2 2.87Å; E290-Q295 PolarHBondContact O-OE1 2.86Å; T292-Q295 WeakPolarHBondContact O-CB 3.27Å; T292-Q295 PolarHBondContact O-N 2.82Å; T292-Q295 WeakPolarHBondContact OG1-CG 3.41Å; T292-Q295 PolarHBondContact OG1-N 2.9Å; Q295-A297 PolarHBondContact O-N 2.86Å; Q295-Y298 PolarHBondContact O-N 2.81Å; Q295-F306 HydrophobicContact CG-CE2 4.28Å; Q295-F306 HydrophobicContact CG-CZ 3.97Å; Q295-L337 HydrophobicContact CB-CD1 3.71Å; Q295-L337 HydrophobicContact CG-CD1 3.72Å
296	T	83.8	Confident	87.3	Confident	78 Å²	78	70 Å²	70	48%	0.479	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-29.8	178.1	-42.4	0	0	0	0	112.3	T292 E293 Y298 H299	T292-T296 PolarHBondContact O-N 2.56Å; T292-T296 PolarHBondContact O-OG1 2.85Å; E293-T296 PolarHBondContact O-N 3.05Å; T296-Y298 PolarHBondContact O-N 2.98Å; T296-H299 WeakPolarHBondContact O-CB 3.28Å; T296-H299 PolarHBondContact O-N 3.2Å
297	A	90.4	Very high	87.6	Confident	74 Å²	74	65.6 Å²	65.6	61%	0.612	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.4	175.7	0	0	0	0	0	114.9	E293 E294 Q295	E293-A297 PolarHBondContact O-N 2.87Å; E293-A297 VanDerWaalsContact O-N 3.13Å; E294-A297 PolarHBondContact O-N 3.22Å; Q295-A297 PolarHBondContact O-N 2.86Å
298	Y	91.4	Very high	88	Confident	34 Å²	34	67.8 Å²	67.8	13%	0.133	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	8.1	177.1	-68.9	-111.7	0	0	0	112.8	E294 Q295 T296 G300 R301 F306 D309 T333	E294-Y298 WeakPolarHBondContact O-CD2 3.45Å; Q295-Y298 PolarHBondContact O-N 2.81Å; T296-Y298 PolarHBondContact O-N 2.98Å; Y298-G300 PolarHBondContact O-N 2.78Å; Y298-R301 VanDerWaalsContact CD1-NH1 3.25Å; Y298-R301 WeakPolarHBondContact O-CB 3.42Å; Y298-R301 PolarHBondContact O-N 3.03Å; Y298-F306 HydrophobicContact CD1-CB 3.74Å; Y298-F306 HydrophobicContact CD1-CD2 4.02Å; Y298-F306 HydrophobicContact CD1-CG 4.39Å; Y298-F306 AromaticContact CD2-CD2 3.85Å; Y298-F306 HydrophobicContact CD2-CD2 3.85Å; Y298-F306 HydrophobicContact CD2-CE2 4.48Å; Y298-F306 HydrophobicContact CE1-CB 4.24Å; Y298-F306 HydrophobicContact CE1-CD2 4.25Å; Y298-F306 HydrophobicContact CE2-CD2 4.11Å; Y298-F306 HydrophobicContact CG-CB 4.17Å; Y298-F306 AromaticContact CG-CD2 3.82Å; Y298-F306 HydrophobicContact CG-CD2 3.82Å; Y298-F306 HydrophobicContact CG-CG 4.44Å; Y298-D309 HydrophobicContact CE1-CB 4.2Å; Y298-D309 WeakPolarHBondContact CE1-OD2 3.19Å; Y298-D309 WeakPolarHBondContact OH-CB 3.39Å; Y298-D309 PolarHBondContact OH-OD2 3.01Å; Y298-T333 WeakPolarHBondContact O-CB 3.41Å; Y298-T333 PolarHBondContact O-OG1 3.4Å
299	H	91.4	Very high	88.3	Confident	128 Å²	128	71.9 Å²	71.9	59%	0.593	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	128.3	178.4	-163.1	-46	0	0	0	110.9	T296 R301 E334	T296-H299 WeakPolarHBondContact O-CB 3.28Å; T296-H299 PolarHBondContact O-N 3.2Å; H299-R301 VanDerWaalsContact C-N 3.25Å; H299-R301 PolarHBondContact O-N 2.81Å; H299-E334 WeakPolarHBondContact CA-OE2 3.38Å; H299-E334 VanDerWaalsContact CE1-CD 3.43Å; H299-E334 IonicContact CE1-OE1 2.8Å; H299-E334 PolarHBondContact CE1-OE1 3.47Å; H299-E334 IonicContact CG-OE1 2.71Å; H299-E334 IonicContact CG-OE2 3Å; H299-E334 IonicContact ND1-OE1 3.81Å; H299-E334 PolarHBondContact ND1-OE1 3.31Å; H299-E334 IonicContact ND1-OE2 3.92Å
300	G	92.3	Very high	88.9	Confident	56 Å²	56	70.2 Å²	70.2	58%	0.577	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	0.1	-175.1	0	0	0	0	0	115.5	Y298 E334	Y298-G300 PolarHBondContact O-N 2.78Å; G300-E334 VanDerWaalsContact N-CD 3.31Å; G300-E334 PolarHBondContact N-OE1 2.63Å; G300-E334 PolarHBondContact N-OE2 2.88Å
301	R	95.3	Very high	89.3	Confident	88 Å²	88	70.1 Å²	70.1	33%	0.332	37%	0.366	S	S	.	.	S	Bend	trans	-92.8	152	167.1	-68.1	176.3	61.4	-160.2	-4.3	110.3	Y298 H299 E305 D309 T333	Y298-R301 VanDerWaalsContact CD1-NH1 3.25Å; Y298-R301 WeakPolarHBondContact O-CB 3.42Å; Y298-R301 PolarHBondContact O-N 3.03Å; H299-R301 VanDerWaalsContact C-N 3.25Å; H299-R301 PolarHBondContact O-N 2.81Å; R301-E305 IonicContact CZ-OE2 2.77Å; R301-E305 IonicContact NE-OE2 3.69Å; R301-E305 PolarHBondContact NE-OE2 3.43Å; R301-E305 IonicContact NH2-OE2 2.8Å; R301-E305 PolarHBondContact NH2-OE2 3.37Å; R301-D309 IonicContact NH2-OD2 3.16Å; R301-T333 WeakPolarHBondContact O-CB 3.49Å; R301-T333 PolarHBondContact O-N 3.01Å; R301-T333 PolarHBondContact O-OG1 3.42Å
302	P	96.5	Very high	89.9	Confident	37 Å²	37	64 Å²	64	24%	0.24	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-59.8	137.5	178.5	-20.7	31.1	0	0	0	113.1	L304 E305 E329 T331 T333	P302-L304 PolarHBondContact O-N 3.03Å; P302-L304 VanDerWaalsContact O-N 3.15Å; P302-E305 HydrophobicContact CB-CG 4.34Å; P302-E305 HydrophobicContact CG-CG 4.38Å; P302-E305 WeakPolarHBondContact O-CB 3.02Å; P302-E305 PolarHBondContact O-N 2.82Å; P302-E329 WeakPolarHBondContact CB-O 3.36Å; P302-T331 WeakPolarHBondContact CA-O 3.39Å; P302-T333 PolarHBondContact O-OG1 3.34Å
303	Y	95.9	Very high	90.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.9	-29	-179.3	-176.6	-132.6	0	0	0	113	F306 L307 L321 A325 T331 T333 L337 T340	Y303-F306 AromaticContact CD2-CD1 3.96Å; Y303-F306 HydrophobicContact CD2-CD1 3.96Å; Y303-F306 AromaticContact CE2-CD1 3.76Å; Y303-F306 HydrophobicContact CE2-CD1 3.76Å; Y303-F306 HydrophobicContact CE2-CE1 4.22Å; Y303-F306 PolarHBondContact O-N 2.97Å; Y303-L307 HydrophobicContact CD1-CD1 3.98Å; Y303-L307 HydrophobicContact CD1-CG 4.44Å; Y303-L307 HydrophobicContact CD2-CG 4.47Å; Y303-L307 HydrophobicContact CE1-CD1 3.78Å; Y303-L307 HydrophobicContact CE1-CD2 4.41Å; Y303-L307 HydrophobicContact CE1-CG 4.19Å; Y303-L307 HydrophobicContact CE2-CD2 4.26Å; Y303-L307 HydrophobicContact CE2-CG 4.21Å; Y303-L307 WeakPolarHBondContact O-CG 3.42Å; Y303-L307 PolarHBondContact O-N 2.97Å; Y303-L321 HydrophobicContact CD1-CD1 3.88Å; Y303-A325 HydrophobicContact CD1-CB 4.31Å; Y303-A325 HydrophobicContact CE1-CB 3.75Å; Y303-T331 PolarHBondContact N-O 3.11Å; Y303-T333 HydrophobicContact CD2-CG2 4.27Å; Y303-L337 HydrophobicContact CD2-CG 4.43Å; Y303-L337 HydrophobicContact CE2-CD2 3.94Å; Y303-L337 HydrophobicContact CE2-CG 3.94Å; Y303-T340 PolarHBondContact OH-OG1 2.86Å
304	L	94.4	Very high	90.9	Very high	36 Å²	36	60 Å²	60	19%	0.188	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-36.2	175	179	55.6	0	0	0	112.8	P302 L307 Q308 L321 E329	P302-L304 PolarHBondContact O-N 3.03Å; P302-L304 VanDerWaalsContact O-N 3.15Å; L304-L307 PolarHBondContact O-N 2.82Å; L304-Q308 HydrophobicContact CD1-CG 4.4Å; L304-Q308 VanDerWaalsContact O-CG 3.3Å; L304-Q308 WeakPolarHBondContact O-CG 3.16Å; L304-Q308 PolarHBondContact O-N 2.89Å; L304-Q308 VanDerWaalsContact O-N 3.07Å; L304-L321 HydrophobicContact CB-CD2 4.25Å; L304-L321 HydrophobicContact CD1-CD2 4.15Å; L304-L321 HydrophobicContact CD2-CD2 4.32Å; L304-L321 HydrophobicContact CG-CD2 4.47Å; L304-E329 HydrophobicContact CD2-CB 4.18Å; L304-E329 HydrophobicContact CD2-CG 4.09Å
305	E	94.3	Very high	91.3	Very high	73 Å²	73	56.1 Å²	56.1	34%	0.341	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-44.3	175.1	-63.5	-175.7	-173.1	0	0	110.7	R301 P302 L307 Q308 D309	R301-E305 IonicContact CZ-OE2 2.77Å; R301-E305 IonicContact NE-OE2 3.69Å; R301-E305 PolarHBondContact NE-OE2 3.43Å; R301-E305 IonicContact NH2-OE2 2.8Å; R301-E305 PolarHBondContact NH2-OE2 3.37Å; P302-E305 HydrophobicContact CB-CG 4.34Å; P302-E305 HydrophobicContact CG-CG 4.38Å; P302-E305 WeakPolarHBondContact O-CB 3.02Å; P302-E305 PolarHBondContact O-N 2.82Å; E305-L307 PolarHBondContact O-N 2.84Å; E305-Q308 PolarHBondContact O-N 2.87Å; E305-D309 PolarHBondContact O-N 2.81Å
306	F	93.9	Very high	91.7	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-45.4	174.6	173.9	-103.7	0	0	0	111.8	F284 Q295 Y298 Y303 Q308 D309 Q310 T333 L337	F284-F306 AromaticContact CE2-CE1 3.67Å; F284-F306 HydrophobicContact CE2-CE1 3.67Å; F284-F306 HydrophobicContact CE2-CZ 4.27Å; F284-F306 AromaticContact CZ-CE1 3.98Å; F284-F306 HydrophobicContact CZ-CE1 3.98Å; Q295-F306 HydrophobicContact CG-CE2 4.28Å; Q295-F306 HydrophobicContact CG-CZ 3.97Å; Y298-F306 HydrophobicContact CD1-CB 3.74Å; Y298-F306 HydrophobicContact CD1-CD2 4.02Å; Y298-F306 HydrophobicContact CD1-CG 4.39Å; Y298-F306 AromaticContact CD2-CD2 3.85Å; Y298-F306 HydrophobicContact CD2-CD2 3.85Å; Y298-F306 HydrophobicContact CD2-CE2 4.48Å; Y298-F306 HydrophobicContact CE1-CB 4.24Å; Y298-F306 HydrophobicContact CE1-CD2 4.25Å; Y298-F306 HydrophobicContact CE2-CD2 4.11Å; Y298-F306 HydrophobicContact CG-CB 4.17Å; Y298-F306 AromaticContact CG-CD2 3.82Å; Y298-F306 HydrophobicContact CG-CD2 3.82Å; Y298-F306 HydrophobicContact CG-CG 4.44Å; Y303-F306 AromaticContact CD2-CD1 3.96Å; Y303-F306 HydrophobicContact CD2-CD1 3.96Å; Y303-F306 AromaticContact CE2-CD1 3.76Å; Y303-F306 HydrophobicContact CE2-CD1 3.76Å; Y303-F306 HydrophobicContact CE2-CE1 4.22Å; Y303-F306 PolarHBondContact O-N 2.97Å; F306-Q308 VanDerWaalsContact C-N 3.26Å; F306-Q308 PolarHBondContact O-N 3.39Å; F306-D309 PolarHBondContact O-N 3.2Å; F306-Q310 HydrophobicContact CD1-CG 4.44Å; F306-Q310 HydrophobicContact CD2-CG 4.38Å; F306-Q310 HydrophobicContact CE1-CG 4.08Å; F306-Q310 HydrophobicContact CE2-CG 4.01Å; F306-Q310 HydrophobicContact CZ-CG 3.84Å; F306-Q310 VanDerWaalsContact O-CG 3.25Å; F306-Q310 WeakPolarHBondContact O-CG 3.33Å; F306-Q310 PolarHBondContact O-N 2.88Å; F306-Q310 VanDerWaalsContact O-N 3.1Å; F306-T333 HydrophobicContact CB-CG2 3.92Å; F306-T333 HydrophobicContact CD1-CG2 4.18Å; F306-T333 HydrophobicContact CD2-CG2 4.37Å; F306-T333 HydrophobicContact CG-CG2 3.9Å; F306-L337 HydrophobicContact CE1-CD2 3.9Å; F306-L337 HydrophobicContact CE1-CG 4.49Å
307	L	93.5	Very high	92.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-31.1	177.1	-72.2	175.1	0	0	0	113.5	F284 Y303 L304 E305 L312 Q317 L320 L321	F284-L307 HydrophobicContact CE1-CD2 3.99Å; F284-L307 HydrophobicContact CE2-CD2 4.02Å; F284-L307 HydrophobicContact CZ-CD2 3.46Å; F284-L307 VanDerWaalsContact CZ-CD2 3.46Å; Y303-L307 HydrophobicContact CD1-CD1 3.98Å; Y303-L307 HydrophobicContact CD1-CG 4.44Å; Y303-L307 HydrophobicContact CD2-CG 4.47Å; Y303-L307 HydrophobicContact CE1-CD1 3.78Å; Y303-L307 HydrophobicContact CE1-CD2 4.41Å; Y303-L307 HydrophobicContact CE1-CG 4.19Å; Y303-L307 HydrophobicContact CE2-CD2 4.26Å; Y303-L307 HydrophobicContact CE2-CG 4.21Å; Y303-L307 WeakPolarHBondContact O-CG 3.42Å; Y303-L307 PolarHBondContact O-N 2.97Å; L304-L307 PolarHBondContact O-N 2.82Å; E305-L307 PolarHBondContact O-N 2.84Å; L307-L312 HydrophobicContact CB-CD1 4.49Å; L307-L312 HydrophobicContact CD2-CD1 3.75Å; L307-Q317 HydrophobicContact CB-CG 4.35Å; L307-L320 HydrophobicContact CD1-CB 4.12Å; L307-L320 HydrophobicContact CD2-CB 3.97Å; L307-L320 HydrophobicContact CD2-CD1 3.94Å; L307-L321 HydrophobicContact CD1-CB 3.93Å
308	Q	93.1	Very high	92.3	Very high	99 Å²	99	50.4 Å²	50.4	46%	0.463	26%	0.264	S	S	.	.	H	α-helix	trans	-71.7	-48.5	175.4	-72	168.4	7.5	0	0	111.5	L304 E305 F306 Q310 Q311 Q317	L304-Q308 HydrophobicContact CD1-CG 4.4Å; L304-Q308 VanDerWaalsContact O-CG 3.3Å; L304-Q308 WeakPolarHBondContact O-CG 3.16Å; L304-Q308 PolarHBondContact O-N 2.89Å; L304-Q308 VanDerWaalsContact O-N 3.07Å; E305-Q308 PolarHBondContact O-N 2.87Å; F306-Q308 VanDerWaalsContact C-N 3.26Å; F306-Q308 PolarHBondContact O-N 3.39Å; Q308-Q310 PolarHBondContact O-N 3.18Å; Q308-Q311 PolarHBondContact O-N 2.51Å; Q308-Q311 VanDerWaalsContact O-N 3.09Å; Q308-Q317 VanDerWaalsContact CG-OE1 3.3Å
309	D	91.9	Very high	92.3	Very high	86 Å²	86	48.9 Å²	48.9	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-26.2	-179.6	-77.3	-35.9	0	0	0	112.6	Y298 R301 E305 F306 Q311	Y298-D309 HydrophobicContact CE1-CB 4.2Å; Y298-D309 WeakPolarHBondContact CE1-OD2 3.19Å; Y298-D309 WeakPolarHBondContact OH-CB 3.39Å; Y298-D309 PolarHBondContact OH-OD2 3.01Å; R301-D309 IonicContact NH2-OD2 3.16Å; E305-D309 PolarHBondContact O-N 2.81Å; F306-D309 PolarHBondContact O-N 3.2Å; D309-Q311 PolarHBondContact O-N 2.87Å
310	Q	89.4	Confident	92.4	Very high	45 Å²	45	42.8 Å²	42.8	21%	0.21	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	9	171.6	-69	-64.3	-55.5	0	0	115	F284 E294 F306 Q308 L312	F284-Q310 HydrophobicContact CD2-CB 4.32Å; F284-Q310 HydrophobicContact CD2-CG 4.23Å; F284-Q310 HydrophobicContact CE2-CB 4.39Å; F284-Q310 HydrophobicContact CE2-CG 3.99Å; E294-Q310 PolarHBondContact OE1-NE2 3.47Å; F306-Q310 HydrophobicContact CD1-CG 4.44Å; F306-Q310 HydrophobicContact CD2-CG 4.38Å; F306-Q310 HydrophobicContact CE1-CG 4.08Å; F306-Q310 HydrophobicContact CE2-CG 4.01Å; F306-Q310 HydrophobicContact CZ-CG 3.84Å; F306-Q310 VanDerWaalsContact O-CG 3.25Å; F306-Q310 WeakPolarHBondContact O-CG 3.33Å; F306-Q310 PolarHBondContact O-N 2.88Å; F306-Q310 VanDerWaalsContact O-N 3.1Å; Q308-Q310 PolarHBondContact O-N 3.18Å; Q310-L312 HydrophobicContact CB-CD1 4.05Å; Q310-L312 HydrophobicContact CB-CG 4.07Å; Q310-L312 PolarHBondContact O-N 3.21Å; Q310-L312 VanDerWaalsContact O-N 3.16Å
311	Q	86.4	Confident	92.6	Very high	149 Å²	149	40.2 Å²	40.2	70%	0.696	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	27.4	178.2	-50.4	-178.7	6	0	0	113.6	K280 Q308 D309	K280-Q311 WeakPolarHBondContact CE-O 2.83Å; K280-Q311 PolarHBondContact NZ-O 2.92Å; Q308-Q311 PolarHBondContact O-N 2.51Å; Q308-Q311 VanDerWaalsContact O-N 3.09Å; D309-Q311 PolarHBondContact O-N 2.87Å
312	L	89.9	Confident	92.6	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.058	19%	0.194	C	C	.	.			trans	-77.4	141.6	177	-62.3	168.8	0	0	0	109.5	K280 F284 L307 Q310 L316 Q317 L320	K280-L312 HydrophobicContact CB-CD2 4.2Å; F284-L312 HydrophobicContact CB-CD2 4.31Å; F284-L312 HydrophobicContact CD2-CD1 3.96Å; F284-L312 HydrophobicContact CE2-CD1 4.19Å; F284-L312 HydrophobicContact CG-CD1 4.15Å; L307-L312 HydrophobicContact CB-CD1 4.49Å; L307-L312 HydrophobicContact CD2-CD1 3.75Å; Q310-L312 HydrophobicContact CB-CD1 4.05Å; Q310-L312 HydrophobicContact CB-CG 4.07Å; Q310-L312 PolarHBondContact O-N 3.21Å; Q310-L312 VanDerWaalsContact O-N 3.16Å; L312-L316 HydrophobicContact CB-CB 4.26Å; L312-L316 HydrophobicContact CD2-CB 4.44Å; L312-L316 HydrophobicContact CD2-CD1 4.01Å; L312-Q317 HydrophobicContact CB-CG 3.93Å; L312-Q317 PolarHBondContact O-NE2 3.31Å; L312-L320 HydrophobicContact CD1-CD1 3.56Å
313	G	90	Very high	92.4	Very high	27 Å²	27	35.6 Å²	35.6	28%	0.278	18%	0.182	S	C	.	.			trans	-75.6	154.1	172.1	0	0	0	0	0	111	N315 L316 Q317	G313-N315 PolarHBondContact O-N 3.02Å; G313-L316 WeakPolarHBondContact O-CA 3.44Å; G313-L316 WeakPolarHBondContact O-CB 3.47Å; G313-L316 PolarHBondContact O-N 3.32Å; G313-Q317 PolarHBondContact O-N 3.09Å
314	D	91.1	Very high	92.3	Very high	119 Å²	119	36 Å²	36	64%	0.636	18%	0.184	S	C	*	.	H	α-helix	trans	-49.7	-35.3	-172.1	-44.3	0.6	0	0	0	113.3	Q317 H318	D314-Q317 PolarHBondContact O-N 2.91Å; D314-H318 WeakPolarHBondContact O-CB 3.46Å; D314-H318 PolarHBondContact O-N 3.11Å
315	N	89	Confident	92.4	Very high	25 Å²	25	34.5 Å²	34.5	13%	0.134	18%	0.177	C	C	.	.	H	α-helix	trans	-68.3	-37.5	177.7	-156.3	38.6	0	0	0	113.1	R253 G313 F319	R253-N315 PolarHBondContact NH1-OD1 3.03Å; G313-N315 PolarHBondContact O-N 3.02Å; N315-F319 VanDerWaalsContact O-CD2 3.28Å; N315-F319 WeakPolarHBondContact O-CD2 3.34Å; N315-F319 WeakPolarHBondContact O-CG 3Å; N315-F319 PolarHBondContact O-N 2.87Å; N315-F319 VanDerWaalsContact O-N 3.14Å
316	L	91.1	Very high	92.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-72.6	-39.4	173.5	-62.5	-175.4	0	0	0	111.5	L273 E277 K280 L281 L312 G313 H318 F319 L320	L273-L316 HydrophobicContact CD1-CD2 4.36Å; L273-L316 HydrophobicContact CD2-CD2 3.69Å; E277-L316 HydrophobicContact CB-CD1 3.99Å; E277-L316 HydrophobicContact CB-CD2 4.28Å; E277-L316 HydrophobicContact CB-CG 4.26Å; E277-L316 HydrophobicContact CG-CD1 4.23Å; E277-L316 HydrophobicContact CG-CG 4.37Å; K280-L316 HydrophobicContact CB-CD1 3.9Å; L281-L316 HydrophobicContact CB-CD1 4.2Å; L281-L316 HydrophobicContact CB-CD2 3.98Å; L281-L316 HydrophobicContact CD1-CD2 4.38Å; L281-L316 HydrophobicContact CD2-CD2 4.17Å; L281-L316 HydrophobicContact CG-CD2 4.4Å; L312-L316 HydrophobicContact CB-CB 4.26Å; L312-L316 HydrophobicContact CD2-CB 4.44Å; L312-L316 HydrophobicContact CD2-CD1 4.01Å; G313-L316 WeakPolarHBondContact O-CA 3.44Å; G313-L316 WeakPolarHBondContact O-CB 3.47Å; G313-L316 PolarHBondContact O-N 3.32Å; L316-H318 VanDerWaalsContact C-N 3.34Å; L316-F319 PolarHBondContact O-N 2.83Å; L316-L320 VanDerWaalsContact O-CB 3.31Å; L316-L320 WeakPolarHBondContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CD1 3.36Å; L316-L320 VanDerWaalsContact O-CG 3.23Å; L316-L320 WeakPolarHBondContact O-CG 3.49Å; L316-L320 PolarHBondContact O-N 3.39Å
317	Q	93.8	Very high	92.3	Very high	26 Å²	26	33.5 Å²	33.5	12%	0.121	18%	0.176	C	C	.	.	H	α-helix	trans	-58.8	-46.9	174.4	-61.1	179.5	24.9	0	0	110.5	L307 Q308 L312 G313 D314 L320 L321	L307-Q317 HydrophobicContact CB-CG 4.35Å; Q308-Q317 VanDerWaalsContact CG-OE1 3.3Å; L312-Q317 HydrophobicContact CB-CG 3.93Å; L312-Q317 PolarHBondContact O-NE2 3.31Å; G313-Q317 PolarHBondContact O-N 3.09Å; D314-Q317 PolarHBondContact O-N 2.91Å; Q317-L320 PolarHBondContact O-N 2.89Å; Q317-L321 VanDerWaalsContact O-CB 3.32Å; Q317-L321 WeakPolarHBondContact O-CB 3.39Å; Q317-L321 PolarHBondContact O-N 3.16Å
318	H	92.8	Very high	92.2	Very high	16 Å²	16	35.7 Å²	35.7	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-55.8	-51.2	175	178.5	110.2	0	0	0	112.5	T251 R253 D314 L316 L320 H322	T251-H318 WeakPolarHBondContact CG2-NE2 3.46Å; T251-H318 PolarHBondContact OG1-NE2 3.48Å; R253-H318 VanDerWaalsContact CD-CE1 3.46Å; R253-H318 WeakPolarHBondContact CD-CE1 3.47Å; R253-H318 WeakPolarHBondContact CD-ND1 3.29Å; R253-H318 VanDerWaalsContact CG-CE1 3.49Å; R253-H318 WeakPolarHBondContact CG-CE1 3.23Å; R253-H318 PolarHBondContact NE-ND1 3.4Å; R253-H318 VanDerWaalsContact NE-ND1 3.19Å; D314-H318 WeakPolarHBondContact O-CB 3.46Å; D314-H318 PolarHBondContact O-N 3.11Å; L316-H318 VanDerWaalsContact C-N 3.34Å; H318-L320 PolarHBondContact O-N 2.83Å; H318-H322 AromaticContact ND1-CD2 3.85Å; H318-H322 WeakPolarHBondContact O-CB 3.28Å; H318-H322 PolarHBondContact O-N 3.12Å
319	F	92.4	Very high	92.1	Very high	2 Å²	2	36 Å²	36	1%	0.009	20%	0.196	C	C	.	.	I	π-helix	trans	-63	-42.4	178.7	-66.5	-33.5	0	0	0	112.1	T251 V260 L273 N315 L316 S323 I324	T251-F319 HydrophobicContact CG2-CD1 4.03Å; T251-F319 HydrophobicContact CG2-CE1 3.73Å; V260-F319 HydrophobicContact CG1-CB 4.3Å; V260-F319 HydrophobicContact CG1-CD1 4.21Å; V260-F319 HydrophobicContact CG1-CG 4.28Å; V260-F319 HydrophobicContact CG2-CD1 3.94Å; V260-F319 HydrophobicContact CG2-CE1 4.19Å; L273-F319 HydrophobicContact CD2-CE2 3.99Å; N315-F319 VanDerWaalsContact O-CD2 3.28Å; N315-F319 WeakPolarHBondContact O-CD2 3.34Å; N315-F319 WeakPolarHBondContact O-CG 3Å; N315-F319 PolarHBondContact O-N 2.87Å; N315-F319 VanDerWaalsContact O-N 3.14Å; L316-F319 PolarHBondContact O-N 2.83Å; F319-S323 CarbonylContact O-C 3.53Å; F319-S323 WeakPolarHBondContact O-CA 3.41Å; F319-S323 VanDerWaalsContact O-CB 3.29Å; F319-S323 WeakPolarHBondContact O-CB 3.23Å; F319-S323 PolarHBondContact O-N 2.92Å; F319-I324 PolarHBondContact O-N 2.86Å
320	L	93.9	Very high	92.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-69.5	-47.8	-177.2	-72.3	164.8	0	0	0	112.2	L281 F284 L285 L307 L312 L316 Q317 H318 I324 A325	L281-L320 HydrophobicContact CD1-CD1 4.27Å; L281-L320 HydrophobicContact CD1-CD2 4.02Å; L281-L320 HydrophobicContact CD1-CG 4.25Å; F284-L320 HydrophobicContact CD1-CD1 3.59Å; F284-L320 HydrophobicContact CD1-CD2 3.78Å; F284-L320 HydrophobicContact CD1-CG 4.35Å; F284-L320 HydrophobicContact CE1-CD1 3.7Å; F284-L320 HydrophobicContact CE1-CD2 3.71Å; F284-L320 HydrophobicContact CE1-CG 4.25Å; F284-L320 HydrophobicContact CG-CD1 4.3Å; F284-L320 HydrophobicContact CZ-CD1 4.47Å; L285-L320 HydrophobicContact CD2-CD2 3.61Å; L307-L320 HydrophobicContact CD1-CB 4.12Å; L307-L320 HydrophobicContact CD2-CB 3.97Å; L307-L320 HydrophobicContact CD2-CD1 3.94Å; L312-L320 HydrophobicContact CD1-CD1 3.56Å; L316-L320 VanDerWaalsContact O-CB 3.31Å; L316-L320 WeakPolarHBondContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CD1 3.36Å; L316-L320 VanDerWaalsContact O-CG 3.23Å; L316-L320 WeakPolarHBondContact O-CG 3.49Å; L316-L320 PolarHBondContact O-N 3.39Å; Q317-L320 PolarHBondContact O-N 2.89Å; H318-L320 PolarHBondContact O-N 2.83Å; L320-I324 HydrophobicContact CD2-CD1 3.85Å; L320-A325 WeakPolarHBondContact O-CB 3.49Å; L320-A325 PolarHBondContact O-N 3.4Å
321	L	95.4	Very high	92.4	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.202	C	C	.	.	I	π-helix	trans	-68	-57.8	179.7	-177.5	63	0	0	0	111.5	Y303 L304 L307 Q317 M326 A327 E329	Y303-L321 HydrophobicContact CD1-CD1 3.88Å; L304-L321 HydrophobicContact CB-CD2 4.25Å; L304-L321 HydrophobicContact CD1-CD2 4.15Å; L304-L321 HydrophobicContact CD2-CD2 4.32Å; L304-L321 HydrophobicContact CG-CD2 4.47Å; L307-L321 HydrophobicContact CD1-CB 3.93Å; Q317-L321 VanDerWaalsContact O-CB 3.32Å; Q317-L321 WeakPolarHBondContact O-CB 3.39Å; Q317-L321 PolarHBondContact O-N 3.16Å; L321-M326 WeakPolarHBondContact O-CA 3.42Å; L321-M326 PolarHBondContact O-N 3.15Å; L321-A327 HydrophobicContact CD1-CB 4.07Å; L321-A327 PolarHBondContact O-N 2.98Å; L321-E329 HydrophobicContact CD2-CG 4.11Å
322	H	94.8	Very high	92.8	Very high	28 Å²	28	31.4 Å²	31.4	13%	0.13	18%	0.18	C	C	.	.	I	π-helix	trans	-89.4	-22.6	-167	-54.2	-53	0	0	0	114.3	H318 M326 T457 P459	H318-H322 AromaticContact ND1-CD2 3.85Å; H318-H322 WeakPolarHBondContact O-CB 3.28Å; H318-H322 PolarHBondContact O-N 3.12Å; H322-M326 WeakPolarHBondContact O-CA 3.39Å; H322-T457 WeakPolarHBondContact O-CB 3.07Å; H322-T457 VanDerWaalsContact O-CG2 3.3Å; H322-T457 WeakPolarHBondContact O-CG2 3.37Å; H322-P459 HydrophobicContact CB-CG 4.03Å
323	S	94.3	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-116.8	-23.2	-171.6	-50	0	0	0	0	115.3	F319 F343 T457	F319-S323 CarbonylContact O-C 3.53Å; F319-S323 WeakPolarHBondContact O-CA 3.41Å; F319-S323 VanDerWaalsContact O-CB 3.29Å; F319-S323 WeakPolarHBondContact O-CB 3.23Å; F319-S323 PolarHBondContact O-N 2.92Å; S323-F343 WeakPolarHBondContact O-CE2 3.38Å; S323-T457 PolarHBondContact OG-OG1 3.01Å
324	I	93.7	Very high	93.3	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.036	18%	0.177	C	C	.	.	I	π-helix	trans	-105.2	-54.1	178.3	-69.5	165.4	0	0	0	110.4	F319 L320 T340 F343	F319-I324 PolarHBondContact O-N 2.86Å; L320-I324 HydrophobicContact CD2-CD1 3.85Å; I324-T340 HydrophobicContact CG2-CG2 4Å; I324-F343 HydrophobicContact CB-CD1 4.45Å; I324-F343 HydrophobicContact CB-CE1 4.41Å; I324-F343 HydrophobicContact CB-CZ 4.47Å; I324-F343 HydrophobicContact CG1-CD1 4.41Å; I324-F343 HydrophobicContact CG1-CE1 3.92Å; I324-F343 HydrophobicContact CG1-CE2 4.48Å; I324-F343 HydrophobicContact CG1-CZ 3.94Å; I324-F343 HydrophobicContact CG2-CB 4.29Å; I324-F343 HydrophobicContact CG2-CD1 3.82Å; I324-F343 HydrophobicContact CG2-CE1 4.19Å; I324-F343 HydrophobicContact CG2-CG 3.99Å; I324-F343 WeakPolarHBondContact O-CB 3.4Å; I324-F343 WeakPolarHBondContact O-CD2 3.21Å; I324-F343 WeakPolarHBondContact O-CG 3.39Å
325	A	94.8	Very high	93.4	Very high	5 Å²	5	31.9 Å²	31.9	4%	0.041	17%	0.17	C	C	.	.	I	π-helix	trans	-74.2	-31.7	170.4	0	0	0	0	0	112.1	Y303 L320 A327 S339	Y303-A325 HydrophobicContact CD1-CB 4.31Å; Y303-A325 HydrophobicContact CE1-CB 3.75Å; L320-A325 WeakPolarHBondContact O-CB 3.49Å; L320-A325 PolarHBondContact O-N 3.4Å; A325-A327 HydrophobicContact CB-CB 4Å; A325-A327 PolarHBondContact O-N 3.32Å; A325-S339 WeakPolarHBondContact O-CB 3.24Å
326	M	94.5	Very high	93.7	Very high	40 Å²	40	30.7 Å²	30.7	20%	0.197	16%	0.164	C	C	.	.			trans	54.9	34.1	-173.6	-58.2	166.5	-73	0	0	112.7	F223 L321 H322 F343 F355 M455 T457 L557	F223-M326 HydrophobicContact CE1-CE 4.31Å; F223-M326 HydrophobicContact CZ-CE 3.77Å; L321-M326 WeakPolarHBondContact O-CA 3.42Å; L321-M326 PolarHBondContact O-N 3.15Å; H322-M326 WeakPolarHBondContact O-CA 3.39Å; M326-F343 HydrophobicContact CE-CD2 4.1Å; M326-F355 HydrophobicContact CE-CZ 3.92Å; M326-F355 HydrophobicContact SD-CZ 3.98Å; M326-M455 HydrophobicContact CG-CE 4.24Å; M326-M455 HydrophobicContact SD-CE 3.46Å; M326-M455 WeakPolarHBondContact SD-CE 3.3Å; M326-T457 HydrophobicContact CG-CG2 4.5Å; M326-L557 HydrophobicContact CE-CD2 4.12Å; M326-L557 HydrophobicContact SD-CD2 3.53Å; M326-L557 VanDerWaalsContact SD-CD2 3.53Å
327	A	93.1	Very high	93.9	Very high	16 Å²	16	31 Å²	31	13%	0.132	17%	0.166	C	C	.	.			trans	-95.6	165.6	-174	0	0	0	0	0	112.1	L321 A325 T331	L321-A327 HydrophobicContact CD1-CB 4.07Å; L321-A327 PolarHBondContact O-N 2.98Å; A325-A327 HydrophobicContact CB-CB 4Å; A325-A327 PolarHBondContact O-N 3.32Å; A327-T331 HydrophobicContact CB-CG2 3.95Å
328	A	90.6	Very high	93.9	Very high	47 Å²	47	32.2 Å²	32.2	39%	0.388	18%	0.18	S	C	.	.			trans	-87.3	164.2	171.3	0	0	0	0	0	110.6	D330 T331	A328-D330 WeakPolarHBondContact CB-OD1 3.06Å; A328-D330 PolarHBondContact O-N 3.18Å; A328-T331 PolarHBondContact N-OG1 2.66Å; A328-T331 WeakPolarHBondContact O-CB 3.46Å; A328-T331 PolarHBondContact O-N 2.6Å; A328-T331 PolarHBondContact O-OG1 3.19Å
329	E	90.9	Very high	94	Very high	106 Å²	106	33.6 Å²	33.6	50%	0.495	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.5	-177.9	-63.9	179	-172.9	0	0	112.9	P302 L304 L321	P302-E329 WeakPolarHBondContact CB-O 3.36Å; L304-E329 HydrophobicContact CD2-CB 4.18Å; L304-E329 HydrophobicContact CD2-CG 4.09Å; L321-E329 HydrophobicContact CD2-CG 4.11Å
330	D	92.4	Very high	94.1	Very high	127 Å²	127	33.5 Å²	33.5	68%	0.679	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-4.3	177.9	64.2	-32.3	0	0	0	114.2	A328	A328-D330 WeakPolarHBondContact CB-OD1 3.06Å; A328-D330 PolarHBondContact O-N 3.18Å
331	T	94.7	Very high	94.1	Very high	22 Å²	22	35 Å²	35	14%	0.135	20%	0.197	C	C	.	.	S	Bend	trans	-61.6	130.1	179.7	-61	0	0	0	0	111.1	P302 Y303 A327 A328 E335	P302-T331 WeakPolarHBondContact CA-O 3.39Å; Y303-T331 PolarHBondContact N-O 3.11Å; A327-T331 HydrophobicContact CB-CG2 3.95Å; A328-T331 PolarHBondContact N-OG1 2.66Å; A328-T331 WeakPolarHBondContact O-CB 3.46Å; A328-T331 PolarHBondContact O-N 2.6Å; A328-T331 PolarHBondContact O-OG1 3.19Å; T331-E335 HydrophobicContact CG2-CB 3.66Å
332	P	96.6	Very high	94	Very high	34 Å²	34	37.7 Å²	37.7	22%	0.221	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-56.5	149	178.2	-25.8	34.3	0	0	0	113.7	E334 E335 G336	P332-E334 VanDerWaalsContact C-N 3.27Å; P332-E334 HydrophobicContact CB-CG 4Å; P332-E334 WeakPolarHBondContact CB-OE2 3.35Å; P332-E334 PolarHBondContact O-N 3.45Å; P332-E335 HydrophobicContact CB-CG 4.47Å; P332-E335 PolarHBondContact O-N 3.32Å; P332-E335 VanDerWaalsContact O-N 3.08Å; P332-G336 PolarHBondContact O-N 3.07Å
333	T	95.3	Very high	94	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-38.5	-177.2	-65.7	0	0	0	0	112.2	Y298 R301 P302 Y303 F306 G336 L337	Y298-T333 WeakPolarHBondContact O-CB 3.41Å; Y298-T333 PolarHBondContact O-OG1 3.4Å; R301-T333 WeakPolarHBondContact O-CB 3.49Å; R301-T333 PolarHBondContact O-N 3.01Å; R301-T333 PolarHBondContact O-OG1 3.42Å; P302-T333 PolarHBondContact O-OG1 3.34Å; Y303-T333 HydrophobicContact CD2-CG2 4.27Å; F306-T333 HydrophobicContact CB-CG2 3.92Å; F306-T333 HydrophobicContact CD1-CG2 4.18Å; F306-T333 HydrophobicContact CD2-CG2 4.37Å; F306-T333 HydrophobicContact CG-CG2 3.9Å; T333-G336 PolarHBondContact O-N 3.25Å; T333-L337 HydrophobicContact CG2-CD1 3.7Å; T333-L337 HydrophobicContact CG2-CG 4.2Å; T333-L337 VanDerWaalsContact O-CB 3.26Å; T333-L337 WeakPolarHBondContact O-CB 3.33Å; T333-L337 VanDerWaalsContact O-CG 3.26Å; T333-L337 WeakPolarHBondContact O-CG 3.23Å; T333-L337 PolarHBondContact O-N 3.5Å
334	E	94.1	Very high	93.9	Very high	56 Å²	56	38.3 Å²	38.3	26%	0.262	21%	0.214	S	C	.	.	H	α-helix	trans	-59.1	-43.7	174.2	55.8	-87.2	-147	0	0	112.7	H299 G300 P332 A338	H299-E334 WeakPolarHBondContact CA-OE2 3.38Å; H299-E334 VanDerWaalsContact CE1-CD 3.43Å; H299-E334 IonicContact CE1-OE1 2.8Å; H299-E334 PolarHBondContact CE1-OE1 3.47Å; H299-E334 IonicContact CG-OE1 2.71Å; H299-E334 IonicContact CG-OE2 3Å; H299-E334 IonicContact ND1-OE1 3.81Å; H299-E334 PolarHBondContact ND1-OE1 3.31Å; H299-E334 IonicContact ND1-OE2 3.92Å; G300-E334 VanDerWaalsContact N-CD 3.31Å; G300-E334 PolarHBondContact N-OE1 2.63Å; G300-E334 PolarHBondContact N-OE2 2.88Å; P332-E334 VanDerWaalsContact C-N 3.27Å; P332-E334 HydrophobicContact CB-CG 4Å; P332-E334 WeakPolarHBondContact CB-OE2 3.35Å; P332-E334 PolarHBondContact O-N 3.45Å; E334-A338 VanDerWaalsContact O-CB 3.24Å; E334-A338 WeakPolarHBondContact O-CB 3.3Å; E334-A338 PolarHBondContact O-N 3.23Å
335	E	94.4	Very high	93.9	Very high	109 Å²	109	45.1 Å²	45.1	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-72.4	-40.9	177.5	-69.8	178	-151.1	0	0	111.8	T331 P332 A338 S339	T331-E335 HydrophobicContact CG2-CB 3.66Å; P332-E335 HydrophobicContact CB-CG 4.47Å; P332-E335 PolarHBondContact O-N 3.32Å; P332-E335 VanDerWaalsContact O-N 3.08Å; E335-A338 PolarHBondContact O-N 2.8Å; E335-S339 WeakPolarHBondContact O-CB 3.5Å; E335-S339 PolarHBondContact O-N 3.12Å; E335-S339 PolarHBondContact O-OG 3.14Å
336	G	95.1	Very high	93.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-39.7	176.6	0	0	0	0	0	113	P332 T333 T340	P332-G336 PolarHBondContact O-N 3.07Å; T333-G336 PolarHBondContact O-N 3.25Å; G336-T340 WeakPolarHBondContact O-CB 3.42Å; G336-T340 PolarHBondContact O-N 2.83Å; G336-T340 PolarHBondContact O-OG1 3.26Å
337	L	94.5	Very high	93.9	Very high	6 Å²	6	45 Å²	45	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-42.2	172.4	-75	171.8	0	0	0	112	Q295 Y303 F306 T333 S339 T340 R341	Q295-L337 HydrophobicContact CB-CD1 3.71Å; Q295-L337 HydrophobicContact CG-CD1 3.72Å; Y303-L337 HydrophobicContact CD2-CG 4.43Å; Y303-L337 HydrophobicContact CE2-CD2 3.94Å; Y303-L337 HydrophobicContact CE2-CG 3.94Å; F306-L337 HydrophobicContact CE1-CD2 3.9Å; F306-L337 HydrophobicContact CE1-CG 4.49Å; T333-L337 HydrophobicContact CG2-CD1 3.7Å; T333-L337 HydrophobicContact CG2-CG 4.2Å; T333-L337 VanDerWaalsContact O-CB 3.26Å; T333-L337 WeakPolarHBondContact O-CB 3.33Å; T333-L337 VanDerWaalsContact O-CG 3.26Å; T333-L337 WeakPolarHBondContact O-CG 3.23Å; T333-L337 PolarHBondContact O-N 3.5Å; L337-S339 VanDerWaalsContact C-N 3.34Å; L337-S339 PolarHBondContact O-N 3.19Å; L337-T340 PolarHBondContact O-N 2.9Å; L337-R341 WeakPolarHBondContact O-CB 3.32Å; L337-R341 WeakPolarHBondContact O-CD 3.23Å; L337-R341 VanDerWaalsContact O-CG 3.25Å; L337-R341 WeakPolarHBondContact O-CG 3.41Å; L337-R341 PolarHBondContact O-N 3.07Å
338	A	93.9	Very high	93.8	Very high	52 Å²	52	47.1 Å²	47.1	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-60.2	-44.1	175.2	0	0	0	0	0	111.7	E334 E335 R341 H342	E334-A338 VanDerWaalsContact O-CB 3.24Å; E334-A338 WeakPolarHBondContact O-CB 3.3Å; E334-A338 PolarHBondContact O-N 3.23Å; E335-A338 PolarHBondContact O-N 2.8Å; A338-R341 WeakPolarHBondContact O-CB 3.18Å; A338-R341 PolarHBondContact O-N 2.68Å; A338-H342 WeakPolarHBondContact O-CB 3.29Å; A338-H342 PolarHBondContact O-N 3.48Å
339	S	94.9	Very high	94	Very high	46 Å²	46	47.6 Å²	47.6	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-63.8	-45.6	176.4	-55.9	0	0	0	0	111.6	A325 E335 L337 R341 H342 F343	A325-S339 WeakPolarHBondContact O-CB 3.24Å; E335-S339 WeakPolarHBondContact O-CB 3.5Å; E335-S339 PolarHBondContact O-N 3.12Å; E335-S339 PolarHBondContact O-OG 3.14Å; L337-S339 VanDerWaalsContact C-N 3.34Å; L337-S339 PolarHBondContact O-N 3.19Å; S339-R341 PolarHBondContact O-N 3.01Å; S339-H342 PolarHBondContact O-N 2.84Å; S339-F343 WeakPolarHBondContact O-CB 3.26Å; S339-F343 PolarHBondContact O-N 3.08Å
340	T	94.6	Very high	94.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59	-44.7	174.3	-60.7	0	0	0	0	111.7	C288 Y303 I324 G336 L337 L344	C288-T340 HydrophobicContact CB-CG2 4.23Å; Y303-T340 PolarHBondContact OH-OG1 2.86Å; I324-T340 HydrophobicContact CG2-CG2 4Å; G336-T340 WeakPolarHBondContact O-CB 3.42Å; G336-T340 PolarHBondContact O-N 2.83Å; G336-T340 PolarHBondContact O-OG1 3.26Å; L337-T340 PolarHBondContact O-N 2.9Å; T340-L344 HydrophobicContact CG2-CD1 4.03Å; T340-L344 WeakPolarHBondContact O-CB 3.31Å; T340-L344 VanDerWaalsContact O-CG 3.26Å; T340-L344 WeakPolarHBondContact O-CG 3.38Å; T340-L344 PolarHBondContact O-N 3.04Å
341	R	93.8	Very high	94.2	Very high	31 Å²	31	42.6 Å²	42.6	12%	0.117	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-43.5	175.2	-77	165.1	176.8	168.9	1.4	112.1	C288 E290 E291 L337 A338 S339 L344 R345	C288-R341 WeakPolarHBondContact O-CG 3.25Å; C288-R341 PolarHBondContact O-NE 2.65Å; E290-R341 PolarHBondContact O-NH2 3.37Å; E291-R341 VanDerWaalsContact CA-NH2 3.27Å; E291-R341 IonicContact OE2-CZ 3.94Å; E291-R341 IonicContact OE2-NH1 2.82Å; E291-R341 PolarHBondContact OE2-NH1 2.92Å; E291-R341 IonicContact OE2-NH2 3.98Å; E291-R341 PolarHBondContact OE2-NH2 3.45Å; L337-R341 WeakPolarHBondContact O-CB 3.32Å; L337-R341 WeakPolarHBondContact O-CD 3.23Å; L337-R341 VanDerWaalsContact O-CG 3.25Å; L337-R341 WeakPolarHBondContact O-CG 3.41Å; L337-R341 PolarHBondContact O-N 3.07Å; A338-R341 WeakPolarHBondContact O-CB 3.18Å; A338-R341 PolarHBondContact O-N 2.68Å; S339-R341 PolarHBondContact O-N 3.01Å; R341-L344 PolarHBondContact O-N 2.85Å; R341-R345 WeakPolarHBondContact O-CB 3.42Å; R341-R345 WeakPolarHBondContact O-CD 3.4Å; R341-R345 WeakPolarHBondContact O-CG 3.07Å; R341-R345 PolarHBondContact O-N 2.86Å
342	H	94.3	Very high	94	Very high	59 Å²	59	44.5 Å²	44.5	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-44.1	-179.7	-174.7	90.4	0	0	0	111.8	F223 R225 A338 S339 S346	F223-H342 WeakPolarHBondContact CB-NE2 3.3Å; F223-H342 AromaticContact CD1-CD2 3.54Å; F223-H342 AromaticContact CD1-NE2 3.59Å; F223-H342 AromaticContact CD2-CD2 3.94Å; F223-H342 AromaticContact CD2-NE2 3.58Å; F223-H342 AromaticContact CE1-CD2 3.64Å; F223-H342 AromaticContact CG-CD2 3.68Å; F223-H342 AromaticContact CG-NE2 3.27Å; F223-H342 VanDerWaalsContact CG-NE2 3.27Å; F223-H342 WeakPolarHBondContact CG-NE2 3.47Å; F223-H342 AromaticContact CZ-CD2 3.87Å; R225-H342 PolarHBondContact O-CE1 3.34Å; A338-H342 WeakPolarHBondContact O-CB 3.29Å; A338-H342 PolarHBondContact O-N 3.48Å; S339-H342 PolarHBondContact O-N 2.84Å; H342-S346 WeakPolarHBondContact O-CB 3.47Å; H342-S346 PolarHBondContact O-N 3.45Å; H342-S346 PolarHBondContact O-OG 3.44Å
343	F	94.6	Very high	93.9	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.013	23%	0.227	C	C	.	.	H	α-helix	trans	-56.9	-53.8	171.9	-175.1	-76.3	0	0	0	111	I249 S323 I324 M326 S339 R345 S346 L347 P354 F355	I249-F343 HydrophobicContact CD1-CE2 3.62Å; I249-F343 HydrophobicContact CD1-CZ 3.47Å; I249-F343 VanDerWaalsContact CD1-CZ 3.47Å; S323-F343 WeakPolarHBondContact O-CE2 3.38Å; I324-F343 HydrophobicContact CB-CD1 4.45Å; I324-F343 HydrophobicContact CB-CE1 4.41Å; I324-F343 HydrophobicContact CB-CZ 4.47Å; I324-F343 HydrophobicContact CG1-CD1 4.41Å; I324-F343 HydrophobicContact CG1-CE1 3.92Å; I324-F343 HydrophobicContact CG1-CE2 4.48Å; I324-F343 HydrophobicContact CG1-CZ 3.94Å; I324-F343 HydrophobicContact CG2-CB 4.29Å; I324-F343 HydrophobicContact CG2-CD1 3.82Å; I324-F343 HydrophobicContact CG2-CE1 4.19Å; I324-F343 HydrophobicContact CG2-CG 3.99Å; I324-F343 WeakPolarHBondContact O-CB 3.4Å; I324-F343 WeakPolarHBondContact O-CD2 3.21Å; I324-F343 WeakPolarHBondContact O-CG 3.39Å; M326-F343 HydrophobicContact CE-CD2 4.1Å; S339-F343 WeakPolarHBondContact O-CB 3.26Å; S339-F343 PolarHBondContact O-N 3.08Å; F343-R345 PolarHBondContact O-N 3.24Å; F343-S346 WeakPolarHBondContact O-CB 3.43Å; F343-S346 PolarHBondContact O-N 3.28Å; F343-L347 HydrophobicContact CD1-CD1 4.27Å; F343-L347 HydrophobicContact CD1-CD2 4.41Å; F343-L347 HydrophobicContact CD1-CG 4.26Å; F343-L347 HydrophobicContact CE1-CD1 4.16Å; F343-L347 HydrophobicContact CE1-CD2 3.93Å; F343-L347 HydrophobicContact CE1-CG 4.21Å; F343-L347 PolarHBondContact O-N 3.4Å; F343-P354 HydrophobicContact CD1-CG 4.29Å; F343-P354 HydrophobicContact CD2-CG 3.77Å; F343-P354 HydrophobicContact CE1-CG 4.22Å; F343-P354 HydrophobicContact CE2-CG 3.71Å; F343-P354 HydrophobicContact CG-CG 4.08Å; F343-P354 HydrophobicContact CZ-CG 3.95Å; F343-F355 HydrophobicContact CE2-CE2 4.42Å; F343-F355 HydrophobicContact CE2-CZ 4.41Å
344	L	92.3	Very high	94	Very high	38 Å²	38	43 Å²	43	20%	0.199	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-38.3	-177.6	-72.8	174.7	0	0	0	113.3	L285 C288 T340 R341 S346 L347	L285-L344 HydrophobicContact CB-CD1 4.33Å; L285-L344 HydrophobicContact CB-CD2 4.48Å; L285-L344 HydrophobicContact CD1-CD2 4.36Å; L285-L344 HydrophobicContact CD2-CD1 4.13Å; L285-L344 HydrophobicContact CD2-CD2 4.14Å; C288-L344 HydrophobicContact CB-CD1 4.22Å; T340-L344 HydrophobicContact CG2-CD1 4.03Å; T340-L344 WeakPolarHBondContact O-CB 3.31Å; T340-L344 VanDerWaalsContact O-CG 3.26Å; T340-L344 WeakPolarHBondContact O-CG 3.38Å; T340-L344 PolarHBondContact O-N 3.04Å; R341-L344 PolarHBondContact O-N 2.85Å; L344-S346 PolarHBondContact O-N 2.62Å; L344-L347 HydrophobicContact CD2-CD1 3.79Å; L344-L347 PolarHBondContact O-N 2.94Å
345	R	93.2	Very high	94.1	Very high	150 Å²	150	40.5 Å²	40.5	57%	0.566	22%	0.215	S	C	*	.	H	α-helix	trans	-68.6	-23	176	-71.7	168.5	-175.9	-177	2.1	112.9	R225 R341 F343	R225-R345 WeakPolarHBondContact CD-O 3.17Å; R225-R345 PolarHBondContact NE-O 2.98Å; R341-R345 WeakPolarHBondContact O-CB 3.42Å; R341-R345 WeakPolarHBondContact O-CD 3.4Å; R341-R345 WeakPolarHBondContact O-CG 3.07Å; R341-R345 PolarHBondContact O-N 2.86Å; F343-R345 PolarHBondContact O-N 3.24Å
346	S	95.3	Very high	94.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-89.3	-19	-179.6	-64.3	0	0	0	0	113.9	S224 R225 H342 F343 L344 P354	S224-S346 VanDerWaalsContact OG-CA 3.3Å; S224-S346 WeakPolarHBondContact OG-CA 3.06Å; S224-S346 WeakPolarHBondContact OG-CB 3.41Å; S224-S346 PolarHBondContact OG-O 3.02Å; R225-S346 PolarHBondContact N-OG 3Å; H342-S346 WeakPolarHBondContact O-CB 3.47Å; H342-S346 PolarHBondContact O-N 3.45Å; H342-S346 PolarHBondContact O-OG 3.44Å; F343-S346 WeakPolarHBondContact O-CB 3.43Å; F343-S346 PolarHBondContact O-N 3.28Å; L344-S346 PolarHBondContact O-N 2.62Å; S346-P354 VanDerWaalsContact CB-CB 3.41Å
347	L	92.8	Very high	94.5	Very high	42 Å²	42	36.1 Å²	36.1	22%	0.22	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	140.5	173.4	-67	170.8	0	0	0	111.3	C262 F343 L344 R349 P354	C262-L347 HydrophobicContact CB-CD2 4.1Å; C262-L347 VanDerWaalsContact O-CD1 3.3Å; C262-L347 WeakPolarHBondContact O-CD1 3.42Å; F343-L347 HydrophobicContact CD1-CD1 4.27Å; F343-L347 HydrophobicContact CD1-CD2 4.41Å; F343-L347 HydrophobicContact CD1-CG 4.26Å; F343-L347 HydrophobicContact CE1-CD1 4.16Å; F343-L347 HydrophobicContact CE1-CD2 3.93Å; F343-L347 HydrophobicContact CE1-CG 4.21Å; F343-L347 PolarHBondContact O-N 3.4Å; L344-L347 HydrophobicContact CD2-CD1 3.79Å; L344-L347 PolarHBondContact O-N 2.94Å; L347-R349 VanDerWaalsContact C-N 3.29Å; L347-R349 PolarHBondContact O-N 3.35Å; L347-P354 HydrophobicContact CD2-CB 4.24Å; L347-P354 HydrophobicContact CD2-CG 4.21Å
348	G	91.1	Very high	94.7	Very high	61 Å²	61	35.8 Å²	35.8	63%	0.629	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	-0.8	170.2	0	0	0	0	0	116.6	G351	G348-G351 WeakPolarHBondContact CA-O 3.21Å; G348-G351 PolarHBondContact N-O 3.02Å; G348-G351 VanDerWaalsContact N-O 3.11Å
349	R	95.3	Very high	94.9	Very high	57 Å²	57	33.8 Å²	33.8	22%	0.215	18%	0.175	C	C	.	.	S	Bend	trans	-66.4	-39.3	176.6	-171.8	-177.8	173.2	158.7	1.4	112.2	S224 D230 I233 L347	S224-R349 WeakPolarHBondContact O-CD 3.5Å; S224-R349 PolarHBondContact O-NE 2.95Å; S224-R349 PolarHBondContact O-NH1 3.01Å; S224-R349 WeakPolarHBondContact OG-CB 3.5Å; D230-R349 IonicContact OD1-CZ 2.74Å; D230-R349 VanDerWaalsContact OD1-CZ 3.25Å; D230-R349 IonicContact OD1-NH1 2.72Å; D230-R349 PolarHBondContact OD1-NH1 3.11Å; D230-R349 IonicContact OD1-NH2 3.24Å; D230-R349 PolarHBondContact OD1-NH2 2.87Å; D230-R349 IonicContact OD2-NH1 2.89Å; I233-R349 VanDerWaalsContact CD1-NH2 3.29Å; L347-R349 VanDerWaalsContact C-N 3.29Å; L347-R349 PolarHBondContact O-N 3.35Å
350	Y	95.6	Very high	95	Very high	109 Å²	109	36.7 Å²	36.7	43%	0.427	18%	0.18	S	C	.	.	S	Bend	trans	-137.5	-17	-179.4	-57.7	-64.4	0	0	0	114	V229 N245 L356	V229-Y350 HydrophobicContact CG1-CE2 4.46Å; N245-Y350 PolarHBondContact ND2-O 2.89Å; N245-Y350 PolarHBondContact OD1-O 3.18Å; Y350-L356 HydrophobicContact CD2-CD1 3.79Å; Y350-L356 HydrophobicContact CD2-CD2 4.22Å; Y350-L356 HydrophobicContact CD2-CG 4.28Å; Y350-L356 HydrophobicContact CE2-CD1 4.07Å; Y350-L356 HydrophobicContact CG-CD2 4.47Å
351	G	91.6	Very high	95.2	Very high	19 Å²	19	36.7 Å²	36.7	20%	0.196	18%	0.18	C	C	.	.	S	Bend	trans	-162.6	-175	-175.5	0	0	0	0	0	112.6	G348	G348-G351 WeakPolarHBondContact CA-O 3.21Å; G348-G351 PolarHBondContact N-O 3.02Å; G348-G351 VanDerWaalsContact N-O 3.11Å
352	N	90.3	Very high	95.4	Very high	62 Å²	62	35.5 Å²	35.5	33%	0.332	18%	0.176	S	C	.	.	S	Bend	trans	-73.3	-26.7	-178.3	65.2	-45.7	0	0	0	113.8	T247 C262	T247-N352 PolarHBondContact O-ND2 3.05Å; C262-N352 WeakPolarHBondContact CB-O 3.44Å
353	T	95.1	Very high	95.5	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.025	16%	0.163	C	C	.	.	S	Bend	trans	-100.7	172.6	173.5	89.2	0	0	0	0	110.7	V246 I249 F355	V246-T353 WeakPolarHBondContact O-CB 3.46Å; V246-T353 WeakPolarHBondContact O-CG2 3.45Å; V246-T353 PolarHBondContact O-OG1 3.47Å; I249-T353 HydrophobicContact CG1-CG2 4.17Å; T353-F355 VanDerWaalsContact C-N 3.33Å; T353-F355 PolarHBondContact OG1-N 2.86Å
354	P	96.4	Very high	95.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-87.7	4.8	-179.8	33.9	-26.7	0	0	0	113.7	F223 S224 I249 F343 S346 L347	F223-P354 HydrophobicContact CD1-CB 4.43Å; S224-P354 PolarHBondContact N-O 2.82Å; I249-P354 HydrophobicContact CD1-CG 4.27Å; F343-P354 HydrophobicContact CD1-CG 4.29Å; F343-P354 HydrophobicContact CD2-CG 3.77Å; F343-P354 HydrophobicContact CE1-CG 4.22Å; F343-P354 HydrophobicContact CE2-CG 3.71Å; F343-P354 HydrophobicContact CG-CG 4.08Å; F343-P354 HydrophobicContact CZ-CG 3.95Å; S346-P354 VanDerWaalsContact CB-CB 3.41Å; L347-P354 HydrophobicContact CD2-CB 4.24Å; L347-P354 HydrophobicContact CD2-CG 4.21Å
355	F	98.2	Very high	95.9	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144	-167.1	-54.8	-63.1	0	0	0	114.7	L221 L222 F223 V246 I249 M326 F343 T353 M455 L557	L221-F355 HydrophobicContact CB-CB 4.19Å; L221-F355 HydrophobicContact CB-CD1 3.99Å; L221-F355 HydrophobicContact CB-CG 4.22Å; L221-F355 HydrophobicContact CD1-CB 4.06Å; L221-F355 HydrophobicContact CD1-CD1 4.22Å; L221-F355 HydrophobicContact CD1-CD2 3.96Å; L221-F355 HydrophobicContact CD1-CE2 4.43Å; L221-F355 HydrophobicContact CD1-CG 3.85Å; L222-F355 CarbonylContact O-C 3.55Å; L222-F355 WeakPolarHBondContact O-CA 3.15Å; F223-F355 AromaticContact CD1-CD1 3.99Å; F223-F355 HydrophobicContact CD1-CD1 3.99Å; F223-F355 AromaticContact CD1-CE1 3.63Å; F223-F355 HydrophobicContact CD1-CE1 3.63Å; F223-F355 HydrophobicContact CD2-CE1 4.45Å; F223-F355 HydrophobicContact CE1-CD1 4.19Å; F223-F355 AromaticContact CE1-CE1 3.36Å; F223-F355 HydrophobicContact CE1-CE1 3.36Å; F223-F355 HydrophobicContact CE1-CZ 4.02Å; F223-F355 HydrophobicContact CE2-CE1 4.23Å; F223-F355 HydrophobicContact CG-CD1 4.36Å; F223-F355 HydrophobicContact CG-CE1 4.18Å; F223-F355 AromaticContact CZ-CE1 3.71Å; F223-F355 HydrophobicContact CZ-CE1 3.71Å; F223-F355 HydrophobicContact CZ-CZ 4.34Å; V246-F355 HydrophobicContact CB-CB 3.84Å; V246-F355 HydrophobicContact CG2-CB 3.57Å; V246-F355 PolarHBondContact N-O 2.72Å; I249-F355 HydrophobicContact CD1-CD2 4.03Å; I249-F355 HydrophobicContact CD1-CE2 3.62Å; I249-F355 HydrophobicContact CG1-CD2 4.37Å; I249-F355 HydrophobicContact CG1-CE2 4.19Å; M326-F355 HydrophobicContact CE-CZ 3.92Å; M326-F355 HydrophobicContact SD-CZ 3.98Å; F343-F355 HydrophobicContact CE2-CE2 4.42Å; F343-F355 HydrophobicContact CE2-CZ 4.41Å; T353-F355 VanDerWaalsContact C-N 3.33Å; T353-F355 PolarHBondContact OG1-N 2.86Å; F355-M455 HydrophobicContact CD2-CB 4.45Å; F355-M455 HydrophobicContact CE2-CB 4.43Å; F355-M455 HydrophobicContact CE2-CG 4.15Å; F355-M455 HydrophobicContact CE2-SD 4.48Å; F355-L557 HydrophobicContact CD1-CD2 4.43Å; F355-L557 HydrophobicContact CE1-CD2 3.53Å; F355-L557 HydrophobicContact CE1-CG 4.4Å; F355-L557 HydrophobicContact CE2-CD2 4.3Å; F355-L557 HydrophobicContact CZ-CD2 3.46Å; F355-L557 VanDerWaalsContact CZ-CD2 3.46Å
356	L	98.4	Very high	96.2	Very high	14 Å²	14	26.5 Å²	26.5	7%	0.073	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	156	167.6	-61.1	176.2	0	0	0	110.5	L222 F243 K244 N245 Y350	L222-L356 HydrophobicContact CB-CB 4.18Å; L222-L356 PolarHBondContact N-O 2.89Å; L222-L356 PolarHBondContact O-N 3.04Å; F243-L356 HydrophobicContact CB-CB 4.42Å; F243-L356 HydrophobicContact CB-CD1 4.38Å; F243-L356 HydrophobicContact CB-CD2 4.5Å; F243-L356 HydrophobicContact CD1-CB 4.42Å; K244-L356 CarbonylContact O-C 3.59Å; K244-L356 WeakPolarHBondContact O-CA 3.33Å; N245-L356 VanDerWaalsContact OD1-CD2 3.28Å; N245-L356 WeakPolarHBondContact OD1-CD2 3.37Å; Y350-L356 HydrophobicContact CD2-CD1 3.79Å; Y350-L356 HydrophobicContact CD2-CD2 4.22Å; Y350-L356 HydrophobicContact CD2-CG 4.28Å; Y350-L356 HydrophobicContact CE2-CD1 4.07Å; Y350-L356 HydrophobicContact CG-CD2 4.47Å
357	F	98.6	Very high	96.3	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.013	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.7	168.9	-175.4	-95.8	0	0	0	109.5	D216 L221 F243 K244 L362 L472 T478	D216-F357 WeakPolarHBondContact OD2-CZ 3.37Å; L221-F357 HydrophobicContact CD2-CB 4.33Å; L221-F357 HydrophobicContact CD2-CD2 4.03Å; F243-F357 CarbonylContact C-O 3.51Å; F243-F357 WeakPolarHBondContact CA-O 3.03Å; K244-F357 PolarHBondContact N-O 2.87Å; K244-F357 PolarHBondContact O-N 2.97Å; F357-L362 HydrophobicContact CE2-CD1 4.46Å; F357-L362 HydrophobicContact CE2-CG 4.09Å; F357-L472 HydrophobicContact CD1-CD2 3.84Å; F357-L472 HydrophobicContact CD2-CD2 3.93Å; F357-L472 HydrophobicContact CE1-CD1 3.83Å; F357-L472 HydrophobicContact CE1-CD2 3.79Å; F357-L472 HydrophobicContact CE1-CG 4.43Å; F357-L472 HydrophobicContact CE2-CD1 3.97Å; F357-L472 HydrophobicContact CE2-CD2 3.87Å; F357-L472 HydrophobicContact CG-CD2 3.92Å; F357-L472 HydrophobicContact CZ-CD1 3.4Å; F357-L472 VanDerWaalsContact CZ-CD1 3.4Å; F357-L472 HydrophobicContact CZ-CD2 3.8Å; F357-L472 HydrophobicContact CZ-CG 4.26Å; F357-T478 HydrophobicContact CE1-CG2 3.79Å; F357-T478 HydrophobicContact CZ-CG2 4.14Å
358	P	98.3	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	141.4	179	29	-34.8	0	0	0	111.8	E242 F243 G361 L362 I365	E242-P358 WeakPolarHBondContact O-CA 3.04Å; F243-P358 HydrophobicContact CD1-CB 4.17Å; F243-P358 HydrophobicContact CE1-CB 3.99Å; P358-G361 VanDerWaalsContact CG-O 3.28Å; P358-G361 WeakPolarHBondContact CG-O 3.25Å; P358-G361 PolarHBondContact O-N 3.19Å; P358-L362 HydrophobicContact CG-CD2 4.08Å; P358-I365 HydrophobicContact CB-CD1 4.12Å; P358-I365 HydrophobicContact CG-CD1 4.46Å; P358-I365 HydrophobicContact CG-CG1 4.4Å
359	V	98.1	Very high	96.9	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.055	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	138.5	169.1	-175.3	0	0	0	0	108.5	E242 K244 G361 S476 M477	E242-V359 HydrophobicContact CB-CB 4.14Å; E242-V359 HydrophobicContact CB-CG2 3.74Å; E242-V359 PolarHBondContact O-N 3.09Å; K244-V359 HydrophobicContact CG-CG2 3.91Å; V359-G361 PolarHBondContact O-N 3.21Å; V359-S476 WeakPolarHBondContact CA-O 3.11Å; V359-M477 HydrophobicContact CG1-CB 3.83Å; V359-M477 HydrophobicContact CG1-CG 3.47Å; V359-M477 VanDerWaalsContact CG1-CG 3.47Å
360	Y	98.3	Very high	97	Very high	108 Å²	108	22.6 Å²	22.6	42%	0.424	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	4.9	-171.1	-46.6	-75.2	0	0	0	116.4	N214 S476 M477	N214-Y360 WeakPolarHBondContact CB-O 3.38Å; Y360-S476 PolarHBondContact N-O 3.21Å; Y360-M477 HydrophobicContact CD1-CB 3.43Å; Y360-M477 VanDerWaalsContact CD1-CB 3.43Å; Y360-M477 HydrophobicContact CD1-CG 4.32Å; Y360-M477 HydrophobicContact CE1-CB 3.42Å; Y360-M477 VanDerWaalsContact CE1-CB 3.42Å; Y360-M477 HydrophobicContact CE1-CE 3.97Å; Y360-M477 HydrophobicContact CE1-CG 3.88Å; Y360-M477 HydrophobicContact CG-CB 4.18Å
361	G	97.7	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.			trans	96.8	173.5	168.6	0	0	0	0	0	115.9	P358 V359 G363 E364	P358-G361 VanDerWaalsContact CG-O 3.28Å; P358-G361 WeakPolarHBondContact CG-O 3.25Å; P358-G361 PolarHBondContact O-N 3.19Å; V359-G361 PolarHBondContact O-N 3.21Å; G361-G363 VanDerWaalsContact C-N 3.3Å; G361-G363 PolarHBondContact O-N 2.98Å; G361-E364 PolarHBondContact O-N 3.46Å
362	L	97.3	Very high	97.4	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.026	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.6	-168.6	-68.6	165.3	0	0	0	114	D216 V218 K220 L222 F357 P358 E364 I365 P366	D216-L362 HydrophobicContact CB-CD1 4.4Å; D216-L362 VanDerWaalsContact CG-N 3.29Å; D216-L362 PolarHBondContact OD1-N 3Å; D216-L362 WeakPolarHBondContact OD2-CB 3.26Å; D216-L362 WeakPolarHBondContact OD2-CD1 3.24Å; D216-L362 VanDerWaalsContact OD2-CG 3.25Å; D216-L362 WeakPolarHBondContact OD2-CG 3.41Å; D216-L362 PolarHBondContact OD2-N 2.93Å; V218-L362 HydrophobicContact CB-CD1 4.49Å; V218-L362 HydrophobicContact CG1-CD1 4.41Å; K220-L362 HydrophobicContact CB-CD1 4.12Å; L222-L362 HydrophobicContact CD1-CD2 4.08Å; F357-L362 HydrophobicContact CE2-CD1 4.46Å; F357-L362 HydrophobicContact CE2-CG 4.09Å; P358-L362 HydrophobicContact CG-CD2 4.08Å; L362-E364 PolarHBondContact O-N 2.99Å; L362-I365 PolarHBondContact O-N 2.97Å; L362-I365 VanDerWaalsContact O-N 3.08Å; L362-P366 VanDerWaalsContact O-CD 3.31Å; L362-P366 WeakPolarHBondContact O-CD 3.22Å
363	G	96.4	Very high	97.7	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.7	177.6	0	0	0	0	0	114.3	W64 S66 G361 I365 Q367	W64-G363 WeakPolarHBondContact O-CA 3.12Å; S66-G363 VanDerWaalsContact OG-CA 3.27Å; S66-G363 WeakPolarHBondContact OG-CA 3.42Å; S66-G363 PolarHBondContact OG-N 2.91Å; G361-G363 VanDerWaalsContact C-N 3.3Å; G361-G363 PolarHBondContact O-N 2.98Å; G363-I365 VanDerWaalsContact C-N 3.33Å; G363-Q367 WeakPolarHBondContact O-CG 3.36Å; G363-Q367 PolarHBondContact O-NE2 2.88Å
364	E	97.9	Very high	97.8	Very high	57 Å²	57	22.9 Å²	22.9	27%	0.266	11%	0.108	S	C	.	.	H	α-helix	trans	-68.5	-31.8	170.1	-66.1	-59.7	94.1	0	0	111.9	G361 L362 Q367 C368	G361-E364 PolarHBondContact O-N 3.46Å; L362-E364 PolarHBondContact O-N 2.99Å; E364-Q367 WeakPolarHBondContact O-CB 3.36Å; E364-Q367 PolarHBondContact O-N 3.1Å; E364-Q367 PolarHBondContact OE1-NE2 2.99Å; E364-C368 PolarHBondContact O-N 2.78Å; E364-C368 PolarHBondContact O-SG 2.87Å
365	I	98.3	Very high	97.7	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-64.9	-47.7	-174.1	-53.9	-59.3	0	0	0	112.3	L35 L228 L232 F243 P358 L362 G363 Q367 C368 F369	L35-I365 HydrophobicContact CD1-CB 4.45Å; L35-I365 HydrophobicContact CD1-CG2 3.69Å; L228-I365 HydrophobicContact CD1-CG2 4.02Å; L228-I365 HydrophobicContact CD2-CG2 4.17Å; L232-I365 HydrophobicContact CD1-CD1 4.44Å; F243-I365 HydrophobicContact CE1-CD1 3.99Å; F243-I365 HydrophobicContact CZ-CD1 4.06Å; P358-I365 HydrophobicContact CB-CD1 4.12Å; P358-I365 HydrophobicContact CG-CD1 4.46Å; P358-I365 HydrophobicContact CG-CG1 4.4Å; L362-I365 PolarHBondContact O-N 2.97Å; L362-I365 VanDerWaalsContact O-N 3.08Å; G363-I365 VanDerWaalsContact C-N 3.33Å; I365-Q367 VanDerWaalsContact C-N 3.3Å; I365-Q367 PolarHBondContact O-N 3.06Å; I365-C368 WeakPolarHBondContact O-CB 3.45Å; I365-C368 PolarHBondContact O-N 3.01Å; I365-F369 HydrophobicContact CG2-CD2 4.24Å; I365-F369 HydrophobicContact CG2-CE2 3.96Å; I365-F369 WeakPolarHBondContact O-CD2 2.66Å; I365-F369 PolarHBondContact O-N 2.9Å
366	P	98.4	Very high	97.6	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-38	172.4	-24.2	35.2	0	0	0	112.8	L35 S38 A61 W64 L362 C368 F369 C370	L35-P366 HydrophobicContact CB-CG 4.16Å; L35-P366 HydrophobicContact CD1-CG 4.29Å; S38-P366 WeakPolarHBondContact CB-O 3.49Å; S38-P366 WeakPolarHBondContact OG-CA 3.42Å; A61-P366 HydrophobicContact CB-CB 3.93Å; A61-P366 HydrophobicContact CB-CG 3.81Å; W64-P366 HydrophobicContact CB-CG 4.11Å; L362-P366 VanDerWaalsContact O-CD 3.31Å; L362-P366 WeakPolarHBondContact O-CD 3.22Å; P366-C368 VanDerWaalsContact C-N 3.32Å; P366-C368 PolarHBondContact O-N 2.96Å; P366-F369 PolarHBondContact O-N 2.7Å; P366-C370 PolarHBondContact O-N 2.89Å; P366-C370 PolarHBondContact O-SG 2.85Å
367	Q	98.2	Very high	97.4	Very high	68 Å²	68	32.6 Å²	32.6	32%	0.318	17%	0.172	S	C	.	.	H	α-helix	trans	-64.1	-36	177	-69.7	178	93.3	0	0	112.4	Y60 G363 E364 I365 F369 C370 R371	Y60-Q367 HydrophobicContact CD2-CG 3.9Å; Y60-Q367 HydrophobicContact CG-CG 3.9Å; G363-Q367 WeakPolarHBondContact O-CG 3.36Å; G363-Q367 PolarHBondContact O-NE2 2.88Å; E364-Q367 WeakPolarHBondContact O-CB 3.36Å; E364-Q367 PolarHBondContact O-N 3.1Å; E364-Q367 PolarHBondContact OE1-NE2 2.99Å; I365-Q367 VanDerWaalsContact C-N 3.3Å; I365-Q367 PolarHBondContact O-N 3.06Å; Q367-F369 PolarHBondContact O-N 3.02Å; Q367-C370 PolarHBondContact O-N 3.18Å; Q367-R371 WeakPolarHBondContact O-CB 3.47Å; Q367-R371 PolarHBondContact O-N 3.38Å
368	C	98.3	Very high	97.3	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-40.6	174.9	-67.2	0	0	0	0	112.1	V237 Y240 E364 I365 P366 M372	V237-C368 HydrophobicContact CG1-CB 3.56Å; Y240-C368 VanDerWaalsContact CB-SG 3.54Å; Y240-C368 HydrophobicContact CD2-CB 4.18Å; Y240-C368 WeakPolarHBondContact CD2-O 3.36Å; E364-C368 PolarHBondContact O-N 2.78Å; E364-C368 PolarHBondContact O-SG 2.87Å; I365-C368 WeakPolarHBondContact O-CB 3.45Å; I365-C368 PolarHBondContact O-N 3.01Å; P366-C368 VanDerWaalsContact C-N 3.32Å; P366-C368 PolarHBondContact O-N 2.96Å; C368-M372 PolarHBondContact O-N 2.9Å; C368-M372 VanDerWaalsContact O-N 3.11Å
369	F	98.5	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-74.2	-38.8	174.4	-72.5	-71.9	0	0	0	112.7	L35 V39 A42 L228 L231 L232 V237 I365 P366 Q367 R371 M372 S373	L35-F369 HydrophobicContact CD1-CD2 4.35Å; L35-F369 HydrophobicContact CD1-CE2 4.49Å; V39-F369 HydrophobicContact CG2-CB 4.4Å; V39-F369 HydrophobicContact CG2-CD1 4.01Å; V39-F369 HydrophobicContact CG2-CD2 3.52Å; V39-F369 HydrophobicContact CG2-CE1 4.15Å; V39-F369 HydrophobicContact CG2-CE2 3.68Å; V39-F369 HydrophobicContact CG2-CG 3.71Å; V39-F369 HydrophobicContact CG2-CZ 3.99Å; A42-F369 HydrophobicContact CB-CB 4.04Å; A42-F369 HydrophobicContact CB-CD1 3.87Å; A42-F369 HydrophobicContact CB-CG 4.44Å; L228-F369 HydrophobicContact CD1-CE2 3.88Å; L228-F369 HydrophobicContact CD1-CZ 4.25Å; L231-F369 HydrophobicContact CD2-CE1 4.11Å; L231-F369 HydrophobicContact CD2-CZ 3.84Å; L231-F369 HydrophobicContact CG-CE1 4.14Å; L231-F369 HydrophobicContact CG-CZ 3.99Å; L232-F369 HydrophobicContact CD2-CE2 3.71Å; L232-F369 HydrophobicContact CD2-CZ 3.64Å; L232-F369 HydrophobicContact CG-CE2 4.36Å; L232-F369 HydrophobicContact CG-CZ 4.11Å; V237-F369 HydrophobicContact CB-CE1 4.28Å; V237-F369 HydrophobicContact CG1-CD1 4.2Å; V237-F369 HydrophobicContact CG1-CE1 4.14Å; V237-F369 HydrophobicContact CG1-CG 4.45Å; V237-F369 HydrophobicContact CG1-CZ 4.34Å; V237-F369 HydrophobicContact CG2-CD1 4.16Å; V237-F369 HydrophobicContact CG2-CE1 4.07Å; I365-F369 HydrophobicContact CG2-CD2 4.24Å; I365-F369 HydrophobicContact CG2-CE2 3.96Å; I365-F369 WeakPolarHBondContact O-CD2 2.66Å; I365-F369 PolarHBondContact O-N 2.9Å; P366-F369 PolarHBondContact O-N 2.7Å; Q367-F369 PolarHBondContact O-N 3.02Å; F369-R371 VanDerWaalsContact C-N 3.25Å; F369-R371 PolarHBondContact O-N 3.49Å; F369-M372 WeakPolarHBondContact O-CB 3.28Å; F369-M372 PolarHBondContact O-N 2.76Å; F369-M372 VanDerWaalsContact O-N 3.08Å; F369-S373 PolarHBondContact O-N 3Å
370	C	98.3	Very high	97.2	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.034	20%	0.196	C	C	.	.	H	α-helix	trans	-57.2	-39.9	170.3	-70.1	0	0	0	0	111.8	S38 P366 Q367 S373 A374 Y380	S38-C370 WeakPolarHBondContact CB-SG 3.46Å; P366-C370 PolarHBondContact O-N 2.89Å; P366-C370 PolarHBondContact O-SG 2.85Å; Q367-C370 PolarHBondContact O-N 3.18Å; C370-S373 WeakPolarHBondContact O-CB 3.3Å; C370-S373 PolarHBondContact O-N 3.46Å; C370-A374 WeakPolarHBondContact O-CB 3.42Å; C370-A374 PolarHBondContact O-N 3.27Å; C370-Y380 HydrophobicContact CB-CD1 4.45Å; C370-Y380 HydrophobicContact CB-CE1 3.66Å; C370-Y380 WeakPolarHBondContact O-CE2 3.46Å; C370-Y380 VanDerWaalsContact SG-CE1 3.58Å
371	R	97.6	Very high	97.1	Very high	145 Å²	145	33.4 Å²	33.4	55%	0.547	18%	0.184	S	C	.	.	H	α-helix	trans	-63.7	-41.1	173.8	-179	175.8	175.3	78.7	3.8	112.3	Y240 Q367 F369 A374 V375	Y240-R371 HydrophobicContact CD2-CB 4.2Å; Y240-R371 HydrophobicContact CD2-CG 4.14Å; Y240-R371 HydrophobicContact CE1-CG 4.43Å; Y240-R371 VanDerWaalsContact CE1-NE 3.34Å; Y240-R371 HydrophobicContact CE2-CB 4.06Å; Y240-R371 HydrophobicContact CE2-CG 3.76Å; Q367-R371 WeakPolarHBondContact O-CB 3.47Å; Q367-R371 PolarHBondContact O-N 3.38Å; F369-R371 VanDerWaalsContact C-N 3.25Å; F369-R371 PolarHBondContact O-N 3.49Å; R371-A374 PolarHBondContact O-N 3.35Å; R371-V375 VanDerWaalsContact O-CG2 3.3Å; R371-V375 WeakPolarHBondContact O-CG2 3.42Å; R371-V375 PolarHBondContact O-N 3.25Å
372	M	96	Very high	97.1	Very high	4 Å²	4	35 Å²	35	2%	0.02	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-48.1	173.6	179	176.5	174.5	0	0	111.3	A42 R46 V237 C368 F369 A374 V375 F376	A42-M372 HydrophobicContact CB-CB 4.08Å; A42-M372 HydrophobicContact CB-CG 4.07Å; A42-M372 HydrophobicContact CB-SD 3.9Å; R46-M372 HydrophobicContact CB-CE 3.71Å; R46-M372 HydrophobicContact CG-CE 3.68Å; V237-M372 HydrophobicContact CG2-CB 3.89Å; V237-M372 HydrophobicContact CG2-CG 4.07Å; V237-M372 HydrophobicContact CG2-SD 3.24Å; V237-M372 WeakPolarHBondContact CG2-SD 3.45Å; C368-M372 PolarHBondContact O-N 2.9Å; C368-M372 VanDerWaalsContact O-N 3.11Å; F369-M372 WeakPolarHBondContact O-CB 3.28Å; F369-M372 PolarHBondContact O-N 2.76Å; F369-M372 VanDerWaalsContact O-N 3.08Å; M372-A374 PolarHBondContact O-N 2.65Å; M372-V375 PolarHBondContact O-N 3.43Å; M372-F376 HydrophobicContact CE-CE2 4.45Å; M372-F376 HydrophobicContact CG-CD2 4.2Å; M372-F376 HydrophobicContact CG-CE2 4.27Å; M372-F376 WeakPolarHBondContact O-CD2 3.39Å; M372-F376 PolarHBondContact O-N 2.67Å
373	S	97.3	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.7	-48.9	176.3	179.3	0	0	0	0	112	A41 S45 F369 C370 V375 F376 G377 G378 Y380	A41-S373 PolarHBondContact O-OG 3.41Å; S45-S373 PolarHBondContact OG-OG 2.67Å; F369-S373 PolarHBondContact O-N 3Å; C370-S373 WeakPolarHBondContact O-CB 3.3Å; C370-S373 PolarHBondContact O-N 3.46Å; S373-V375 PolarHBondContact O-N 2.9Å; S373-F376 CarbonylContact O-C 3.58Å; S373-F376 PolarHBondContact O-N 3Å; S373-F376 VanDerWaalsContact O-N 3.11Å; S373-G377 PolarHBondContact O-N 3.39Å; S373-G378 PolarHBondContact O-N 3.43Å; S373-Y380 WeakPolarHBondContact CB-OH 3.39Å; S373-Y380 PolarHBondContact OG-OH 3.15Å; S373-Y380 VanDerWaalsContact OG-OH 3.06Å
374	A	96.6	Very high	96.8	Very high	51 Å²	51	43.4 Å²	43.4	42%	0.421	22%	0.223	S	C	.	.	H	α-helix	trans	-62.9	-37.2	178.8	0	0	0	0	0	113.4	C370 R371 M372 F376 G377 G378 Y380	C370-A374 WeakPolarHBondContact O-CB 3.42Å; C370-A374 PolarHBondContact O-N 3.27Å; R371-A374 PolarHBondContact O-N 3.35Å; M372-A374 PolarHBondContact O-N 2.65Å; A374-F376 PolarHBondContact O-N 2.82Å; A374-G377 PolarHBondContact O-N 3.27Å; A374-G377 VanDerWaalsContact O-N 3.09Å; A374-G378 WeakPolarHBondContact CA-O 3.49Å; A374-Y380 HydrophobicContact CB-CD2 3.97Å; A374-Y380 HydrophobicContact CB-CE2 4.06Å
375	V	95.1	Very high	96.5	Very high	89 Å²	89	41.6 Å²	41.6	54%	0.539	22%	0.217	S	C	.	.	H	α-helix	trans	-63.4	-30.4	175	165.7	0	0	0	0	112.1	R371 M372 S373	R371-V375 VanDerWaalsContact O-CG2 3.3Å; R371-V375 WeakPolarHBondContact O-CG2 3.42Å; R371-V375 PolarHBondContact O-N 3.25Å; M372-V375 PolarHBondContact O-N 3.43Å; S373-V375 PolarHBondContact O-N 2.9Å
376	F	95.4	Very high	96.3	Very high	77 Å²	77	41.5 Å²	41.5	34%	0.338	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	19.5	173.9	-68.7	-76.2	0	0	0	113.7	S45 R46 M372 S373 A374 A583	S45-F376 WeakPolarHBondContact O-CB 3.48Å; R46-F376 HydrophobicContact CB-CD2 4.28Å; R46-F376 VanDerWaalsContact CD-CE2 3.49Å; R46-F376 VanDerWaalsContact CD-CZ 3.45Å; M372-F376 HydrophobicContact CE-CE2 4.45Å; M372-F376 HydrophobicContact CG-CD2 4.2Å; M372-F376 HydrophobicContact CG-CE2 4.27Å; M372-F376 WeakPolarHBondContact O-CD2 3.39Å; M372-F376 PolarHBondContact O-N 2.67Å; S373-F376 CarbonylContact O-C 3.58Å; S373-F376 PolarHBondContact O-N 3Å; S373-F376 VanDerWaalsContact O-N 3.11Å; A374-F376 PolarHBondContact O-N 2.82Å; F376-A583 HydrophobicContact CZ-CB 4.45Å
377	G	94.9	Very high	96	Very high	53 Å²	53	43 Å²	43	55%	0.546	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	6	170.1	0	0	0	0	0	116.3	S373 A374 I379	S373-G377 PolarHBondContact O-N 3.39Å; A374-G377 PolarHBondContact O-N 3.27Å; A374-G377 VanDerWaalsContact O-N 3.09Å; G377-I379 PolarHBondContact O-N 3.05Å
378	G	97.3	Very high	95.7	Very high	7 Å²	7	39.8 Å²	39.8	7%	0.072	21%	0.208	C	C	.	.			trans	-64.5	129.6	172.1	0	0	0	0	0	112.2	V51 S373 A374 Y380	V51-G378 WeakPolarHBondContact O-CA 3.45Å; S373-G378 PolarHBondContact O-N 3.43Å; A374-G378 WeakPolarHBondContact CA-O 3.49Å; G378-Y380 WeakPolarHBondContact O-CD2 3.29Å
379	I	98.1	Very high	95.6	Very high	64 Å²	64	39.5 Å²	39.5	33%	0.328	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.4	-179.4	-64.9	-175.8	0	0	0	109.8	L22 P23 F26 V51 L52 H53 G377	L22-I379 HydrophobicContact CD2-CG2 3.97Å; P23-I379 HydrophobicContact CG-CD1 4.04Å; F26-I379 HydrophobicContact CE1-CB 4.26Å; F26-I379 HydrophobicContact CE1-CD1 3.96Å; F26-I379 HydrophobicContact CE1-CG1 4.29Å; F26-I379 HydrophobicContact CZ-CB 4.39Å; F26-I379 HydrophobicContact CZ-CD1 3.95Å; V51-I379 PolarHBondContact O-N 3.2Å; L52-I379 HydrophobicContact CD1-CB 4.07Å; L52-I379 HydrophobicContact CD1-CG2 3.82Å; H53-I379 PolarHBondContact N-O 2.89Å; G377-I379 PolarHBondContact O-N 3.05Å
380	Y	96.2	Very high	95.4	Very high	42 Å²	42	39.5 Å²	39.5	17%	0.165	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.9	-175.2	-83	-91.1	0	0	0	112.6	A41 H53 Y60 C370 S373 A374 G378	A41-Y380 WeakPolarHBondContact CB-OH 2.92Å; H53-Y380 HydrophobicContact CB-CD1 3.77Å; H53-Y380 HydrophobicContact CB-CE1 3.39Å; H53-Y380 HydrophobicContact CB-CE2 4.24Å; H53-Y380 HydrophobicContact CB-CG 4.32Å; H53-Y380 AromaticContact CG-CE1 3.33Å; H53-Y380 AromaticContact CG-CZ 3.75Å; H53-Y380 AromaticContact ND1-CE1 3.26Å; H53-Y380 VanDerWaalsContact ND1-CE1 3.26Å; H53-Y380 WeakPolarHBondContact ND1-CE1 3.48Å; H53-Y380 AromaticContact ND1-CZ 3.4Å; H53-Y380 PolarHBondContact ND1-OH 3.37Å; H53-Y380 WeakPolarHBondContact O-CA 3.31Å; Y60-Y380 AromaticContact CE1-CD1 3.98Å; Y60-Y380 HydrophobicContact CE1-CD1 3.98Å; C370-Y380 HydrophobicContact CB-CD1 4.45Å; C370-Y380 HydrophobicContact CB-CE1 3.66Å; C370-Y380 WeakPolarHBondContact O-CE2 3.46Å; C370-Y380 VanDerWaalsContact SG-CE1 3.58Å; S373-Y380 WeakPolarHBondContact CB-OH 3.39Å; S373-Y380 PolarHBondContact OG-OH 3.15Å; S373-Y380 VanDerWaalsContact OG-OH 3.06Å; A374-Y380 HydrophobicContact CB-CD2 3.97Å; A374-Y380 HydrophobicContact CB-CE2 4.06Å; G378-Y380 WeakPolarHBondContact O-CD2 3.29Å
381	C	96.7	Very high	95.2	Very high	25 Å²	25	39.5 Å²	39.5	17%	0.169	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	108.1	174.2	-74.6	0	0	0	0	112	H53 L54 D55 H384	H53-C381 PolarHBondContact O-N 3.28Å; L54-C381 WeakPolarHBondContact CA-O 3.3Å; L54-C381 HydrophobicContact CD2-CB 3.66Å; D55-C381 PolarHBondContact N-O 2.82Å; C381-H384 HydrophobicContact CB-CB 3.79Å
382	L	96.2	Very high	95	Very high	33 Å²	33	34 Å²	34	17%	0.173	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	156.9	166.4	-61.5	179.5	0	0	0	110.9	T33 D55 Y60 H384	T33-L382 HydrophobicContact CG2-CD2 4.4Å; D55-L382 HydrophobicContact CB-CD2 3.68Å; D55-L382 CarbonylContact O-C 3.59Å; Y60-L382 HydrophobicContact CD1-CD1 4.39Å; Y60-L382 HydrophobicContact CD1-CD2 3.92Å; Y60-L382 HydrophobicContact CD2-CD1 4.13Å; Y60-L382 HydrophobicContact CE1-CD1 4.19Å; Y60-L382 HydrophobicContact CE1-CD2 3.96Å; Y60-L382 HydrophobicContact CE1-CG 4.19Å; Y60-L382 HydrophobicContact CE2-CD1 3.91Å; Y60-L382 HydrophobicContact CG-CD1 4.35Å; Y60-L382 HydrophobicContact CG-CD2 4.44Å; L382-H384 VanDerWaalsContact C-N 3.26Å
383	R	94.3	Very high	94.4	Very high	176 Å²	176	40.9 Å²	40.9	66%	0.664	21%	0.213	S	C	*	.	S	Bend	trans	59.1	37	-173.1	-53.3	168.2	-68.8	-76.8	-8	112.2	D55 R57 S58	D55-R383 PolarHBondContact O-N 3.37Å; R57-R383 PolarHBondContact O-N 2.74Å; S58-R383 PolarHBondContact O-NH1 3.13Å
384	H	94	Very high	94	Very high	7 Å²	7	48.4 Å²	48.4	3%	0.032	25%	0.253	C	S	.	.			trans	-139.1	100.7	-172.5	-163.5	123.6	0	0	0	108.9	L22 D55 C381 L382 D403 R405	L22-H384 WeakPolarHBondContact CD1-NE2 3.41Å; D55-H384 CarbonylContact C-O 3.56Å; D55-H384 PolarHBondContact O-N 2.78Å; C381-H384 HydrophobicContact CB-CB 3.79Å; L382-H384 VanDerWaalsContact C-N 3.26Å; H384-D403 IonicContact NE2-OD2 2.68Å; H384-D403 PolarHBondContact NE2-OD2 2.85Å; H384-R405 PolarHBondContact CE1-NH2 2.85Å; H384-R405 VanDerWaalsContact CE1-NH2 3.33Å; H384-R405 WeakPolarHBondContact NE2-CD 3.39Å; H384-R405 PolarHBondContact NE2-NE 2.8Å
385	S	92.1	Very high	93.7	Very high	18 Å²	18	48.7 Å²	48.7	13%	0.126	26%	0.256	C	S	.	.			trans	-93.6	171	-179.9	73.5	0	0	0	0	112.4	Q106 S404	Q106-S385 PolarHBondContact OE1-OG 3.03Å; S385-S404 WeakPolarHBondContact O-CB 3.09Å; S385-S404 PolarHBondContact O-N 2.82Å
386	V	93.8	Very high	93.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.5	170.5	166.7	0	0	0	0	107.9	L31 L54 L104 Q106 C388 V401 I402	L31-V386 HydrophobicContact CD1-CB 4.19Å; L31-V386 HydrophobicContact CD1-CG1 4.42Å; L31-V386 HydrophobicContact CD1-CG2 4.47Å; L31-V386 HydrophobicContact CD2-CB 4.25Å; L31-V386 HydrophobicContact CD2-CG2 3.69Å; L54-V386 HydrophobicContact CD1-CG2 3.54Å; L104-V386 HydrophobicContact CD1-CB 4.1Å; L104-V386 HydrophobicContact CD1-CG1 3.7Å; Q106-V386 PolarHBondContact NE2-O 2.55Å; V386-C388 WeakPolarHBondContact CG1-O 3.43Å; V386-V401 HydrophobicContact CG1-CB 3.76Å; V386-V401 HydrophobicContact CG1-CG1 4.09Å; V386-V401 HydrophobicContact CG2-CB 4.26Å; V386-V401 HydrophobicContact CG2-CG2 4.26Å; V386-I402 WeakPolarHBondContact CG1-O 3.42Å
387	H	91.6	Very high	93.3	Very high	34 Å²	34	49.3 Å²	49.3	16%	0.157	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-39.5	-179.7	-71.3	-59.8	0	0	0	112.9	W91 H103 L104 Q106 I402	W91-H387 AromaticContact CE2-CD2 3.93Å; W91-H387 AromaticContact CZ2-CD2 3.5Å; W91-H387 AromaticContact NE1-CD2 3.91Å; W91-H387 AromaticContact NE1-CG 3.79Å; H103-H387 WeakPolarHBondContact CA-O 3.26Å; L104-H387 PolarHBondContact N-O 2.88Å; Q106-H387 PolarHBondContact OE1-ND1 3.44Å; H387-I402 PolarHBondContact N-O 3.21Å
388	C	92.5	Very high	93.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148	-174.4	-58	0	0	0	0	112.9	L101 I102 H103 V386 V401 I402	L101-C388 HydrophobicContact CB-CB 4.45Å; L101-C388 HydrophobicContact CD2-CB 4.04Å; I102-C388 CarbonylContact O-C 3.51Å; I102-C388 WeakPolarHBondContact O-CA 3.27Å; H103-C388 VanDerWaalsContact CE1-SG 3.53Å; H103-C388 PolarHBondContact ND1-SG 2.94Å; H103-C388 VanDerWaalsContact ND1-SG 3.41Å; V386-C388 WeakPolarHBondContact CG1-O 3.43Å; C388-V401 WeakPolarHBondContact O-CA 3.3Å; C388-I402 HydrophobicContact CB-CB 4.21Å; C388-I402 HydrophobicContact CB-CD1 4.16Å; C388-I402 HydrophobicContact CB-CG1 4.35Å; C388-I402 PolarHBondContact O-N 3.21Å
389	L	94.5	Very high	93.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.2	157.7	-45.9	-179.6	0	0	0	108.8	L101 I102 L104 V391 V401 I414 M416 V547	L101-L389 WeakPolarHBondContact CA-O 3.31Å; I102-L389 HydrophobicContact CB-CB 4.22Å; I102-L389 HydrophobicContact CB-CD1 4.32Å; I102-L389 HydrophobicContact CB-CG 4.43Å; I102-L389 HydrophobicContact CG2-CD1 4.47Å; I102-L389 PolarHBondContact N-O 3.4Å; I102-L389 PolarHBondContact O-N 2.93Å; L104-L389 HydrophobicContact CD1-CD2 3.97Å; L104-L389 HydrophobicContact CD2-CD1 4.2Å; L104-L389 HydrophobicContact CD2-CD2 4.17Å; L104-L389 HydrophobicContact CD2-CG 3.94Å; L104-L389 HydrophobicContact CG-CD2 4.29Å; L104-L389 HydrophobicContact CG-CG 4.32Å; L389-V391 HydrophobicContact CB-CG2 4.31Å; L389-V401 HydrophobicContact CD2-CG1 4.12Å; L389-I414 HydrophobicContact CD2-CD1 3.75Å; L389-M416 HydrophobicContact CD1-CE 3.98Å; L389-M416 HydrophobicContact CD2-CE 3.94Å; L389-V547 HydrophobicContact CD1-CG2 4.39Å
390	I	94.9	Very high	93.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.7	169.7	-50.8	-170.3	0	0	0	108.4	E99 L101 C398 K399 A400 I402 R408	E99-I390 HydrophobicContact CB-CG2 4Å; E99-I390 HydrophobicContact CG-CG2 4.22Å; E99-I390 VanDerWaalsContact OE2-CG2 3.3Å; E99-I390 WeakPolarHBondContact OE2-CG2 3.41Å; L101-I390 HydrophobicContact CD2-CG1 3.94Å; I390-C398 CarbonylContact O-C 3.57Å; I390-C398 WeakPolarHBondContact O-CA 3.37Å; I390-C398 PolarHBondContact O-SG 2.98Å; I390-K399 PolarHBondContact O-N 2.94Å; I390-A400 HydrophobicContact CB-CB 4.24Å; I390-A400 HydrophobicContact CD1-CB 4.14Å; I390-A400 HydrophobicContact CG1-CB 4.33Å; I390-A400 PolarHBondContact N-O 3.05Å; I390-I402 HydrophobicContact CD1-CD1 3.87Å; I390-I402 HydrophobicContact CD1-CG1 3.73Å; I390-I402 HydrophobicContact CG1-CD1 4Å; I390-I402 HydrophobicContact CG1-CG1 3.84Å; I390-R408 HydrophobicContact CD1-CG 3.87Å
391	V	94.1	Very high	93.2	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136	-172.7	-178.2	0	0	0	0	110.7	E99 E100 I102 L389 C398 P544	E99-V391 CarbonylContact C-O 3.47Å; E99-V391 VanDerWaalsContact CA-O 3.25Å; E99-V391 WeakPolarHBondContact CA-O 3.45Å; E100-V391 HydrophobicContact CG-CB 4.19Å; E100-V391 PolarHBondContact N-O 3.24Å; E100-V391 PolarHBondContact O-N 3.29Å; I102-V391 HydrophobicContact CD1-CG2 3.79Å; I102-V391 HydrophobicContact CG1-CG2 3.98Å; L389-V391 HydrophobicContact CB-CG2 4.31Å; V391-C398 HydrophobicContact CG2-CB 4.48Å; V391-P544 HydrophobicContact CB-CG 4.34Å; V391-P544 HydrophobicContact CG1-CB 4.35Å; V391-P544 HydrophobicContact CG1-CG 3.76Å; V391-P544 HydrophobicContact CG2-CG 3.56Å
392	D	93	Very high	93.1	Very high	31 Å²	31	43.7 Å²	43.7	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120	169.3	-169.5	-69.7	0	0	0	110.1	D394 A395 N396 R397 K399	D392-D394 PolarHBondContact OD1-N 3.45Å; D392-D394 VanDerWaalsContact OD1-N 3.12Å; D392-A395 HydrophobicContact CB-CB 4.11Å; D392-A395 WeakPolarHBondContact OD1-CB 3.33Å; D392-A395 PolarHBondContact OD1-N 3.46Å; D392-N396 PolarHBondContact O-N 3.4Å; D392-N396 VanDerWaalsContact O-N 3.09Å; D392-R397 PolarHBondContact N-O 3.37Å; D392-K399 HydrophobicContact CB-CD 4.15Å; D392-K399 HydrophobicContact CB-CG 4.4Å; D392-K399 WeakPolarHBondContact OD2-CE 3.49Å; D392-K399 IonicContact OD2-NZ 2.71Å; D392-K399 PolarHBondContact OD2-NZ 3.35Å
393	R	85.1	Confident	93	Very high	147 Å²	147	42.1 Å²	42.1	56%	0.555	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-37.4	-175.1	-75.1	-179.8	165.5	134.3	10.3	113.9	G98 E100	G98-R393 WeakPolarHBondContact O-CB 3.39Å; G98-R393 WeakPolarHBondContact O-CG 3.3Å; G98-R393 PolarHBondContact O-N 2.88Å; E100-R393 HydrophobicContact CB-CG 4.45Å; E100-R393 HydrophobicContact CG-CG 4.01Å; E100-R393 IonicContact OE2-CZ 3.82Å; E100-R393 VanDerWaalsContact OE2-CZ 3.24Å; E100-R393 IonicContact OE2-NE 3.71Å; E100-R393 PolarHBondContact OE2-NE 3.38Å; E100-R393 IonicContact OE2-NH2 3.15Å; E100-R393 PolarHBondContact OE2-NH2 2.94Å
394	D	88.4	Confident	92.8	Very high	158 Å²	158	35.5 Å²	35.5	85%	0.845	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-31.9	-173.9	-69.5	-29.4	0	0	0	111.1	D392	D392-D394 PolarHBondContact OD1-N 3.45Å; D392-D394 VanDerWaalsContact OD1-N 3.12Å
395	A	88.8	Confident	92.6	Very high	58 Å²	58	42.4 Å²	42.4	48%	0.479	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-11.1	178.8	0	0	0	0	0	114.8	D392 R397	D392-A395 HydrophobicContact CB-CB 4.11Å; D392-A395 WeakPolarHBondContact OD1-CB 3.33Å; D392-A395 PolarHBondContact OD1-N 3.46Å; A395-R397 VanDerWaalsContact C-N 3.27Å; A395-R397 HydrophobicContact CB-CB 4.37Å; A395-R397 PolarHBondContact O-N 2.87Å
396	N	89.6	Confident	92.4	Very high	83 Å²	83	42.5 Å²	42.5	44%	0.444	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	50.2	-170.5	-172.2	34.1	0	0	0	112.7	D392 S545	D392-N396 PolarHBondContact O-N 3.4Å; D392-N396 VanDerWaalsContact O-N 3.09Å; N396-S545 PolarHBondContact O-N 3Å; N396-S545 PolarHBondContact O-OG 3.02Å
397	R	94.3	Very high	92.4	Very high	95 Å²	95	44.7 Å²	44.7	36%	0.358	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.6	-178	-90.7	-165.2	57.2	148.9	-3.3	111.3	D392 A395 S412 S545 N546	D392-R397 PolarHBondContact N-O 3.37Å; A395-R397 VanDerWaalsContact C-N 3.27Å; A395-R397 HydrophobicContact CB-CB 4.37Å; A395-R397 PolarHBondContact O-N 2.87Å; R397-S412 PolarHBondContact NH2-O 3.5Å; R397-S545 WeakPolarHBondContact CG-OG 3.4Å; R397-N546 WeakPolarHBondContact CA-OD1 3.49Å; R397-N546 HydrophobicContact CG-CB 4.46Å; R397-N546 PolarHBondContact NE-ND2 3.17Å; R397-N546 PolarHBondContact NH2-ND2 3.39Å
398	C	95.3	Very high	92.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	138.5	164.4	-168.8	0	0	0	0	110	I390 V391 A400 I414 P544 N546 V547	I390-C398 CarbonylContact O-C 3.57Å; I390-C398 WeakPolarHBondContact O-CA 3.37Å; I390-C398 PolarHBondContact O-SG 2.98Å; V391-C398 HydrophobicContact CG2-CB 4.48Å; C398-A400 PolarHBondContact SG-O 3.47Å; C398-I414 HydrophobicContact CB-CD1 4.14Å; C398-I414 WeakPolarHBondContact SG-CD1 3.29Å; C398-P544 HydrophobicContact CB-CB 4.36Å; C398-P544 HydrophobicContact CB-CG 4.31Å; C398-N546 PolarHBondContact N-OD1 3.35Å; C398-N546 PolarHBondContact O-ND2 3.21Å; C398-V547 HydrophobicContact CB-CG2 3.88Å
399	K	95.6	Very high	92.7	Very high	73 Å²	73	45.7 Å²	45.7	32%	0.317	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	-34.4	177.2	-77.2	170.7	166.1	165.4	0	112.8	E99 I390 D392 S410 C411	E99-K399 HydrophobicContact CG-CD 4.5Å; E99-K399 WeakPolarHBondContact OE1-CD 3.28Å; E99-K399 IonicContact OE1-NZ 3.59Å; E99-K399 PolarHBondContact OE1-NZ 2.71Å; E99-K399 VanDerWaalsContact OE1-NZ 3.15Å; I390-K399 PolarHBondContact O-N 2.94Å; D392-K399 HydrophobicContact CB-CD 4.15Å; D392-K399 HydrophobicContact CB-CG 4.4Å; D392-K399 WeakPolarHBondContact OD2-CE 3.49Å; D392-K399 IonicContact OD2-NZ 2.71Å; D392-K399 PolarHBondContact OD2-NZ 3.35Å; K399-S410 WeakPolarHBondContact O-CA 3.49Å; K399-C411 PolarHBondContact O-N 2.89Å
400	A	96.6	Very high	92.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	163.8	-169.6	0	0	0	0	0	111.6	I390 C398 R408 I409	I390-A400 HydrophobicContact CB-CB 4.24Å; I390-A400 HydrophobicContact CD1-CB 4.14Å; I390-A400 HydrophobicContact CG1-CB 4.33Å; I390-A400 PolarHBondContact N-O 3.05Å; C398-A400 PolarHBondContact SG-O 3.47Å; A400-R408 HydrophobicContact CB-CG 3.98Å; A400-I409 CarbonylContact C-O 3.49Å; A400-I409 WeakPolarHBondContact CA-O 3.38Å; A400-I409 VanDerWaalsContact CB-O 3.26Å; A400-I409 WeakPolarHBondContact CB-O 3.49Å
401	V	96.3	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	157.6	167.4	-63.3	0	0	0	0	111.3	V29 V386 C388 L389 R408 I409 I414	V29-V401 HydrophobicContact CG1-CG1 4.26Å; V29-V401 HydrophobicContact CG1-CG2 4.32Å; V29-V401 HydrophobicContact CG2-CG2 4.48Å; V386-V401 HydrophobicContact CG1-CB 3.76Å; V386-V401 HydrophobicContact CG1-CG1 4.09Å; V386-V401 HydrophobicContact CG2-CB 4.26Å; V386-V401 HydrophobicContact CG2-CG2 4.26Å; C388-V401 WeakPolarHBondContact O-CA 3.3Å; L389-V401 HydrophobicContact CD2-CG1 4.12Å; V401-R408 WeakPolarHBondContact O-CA 3.39Å; V401-I409 HydrophobicContact CG2-CB 3.89Å; V401-I409 PolarHBondContact N-O 3.29Å; V401-I409 PolarHBondContact O-N 2.81Å; V401-I414 HydrophobicContact CG1-CD1 3.51Å; V401-I414 HydrophobicContact CG1-CG1 4.47Å
402	I	94.9	Very high	93.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.3	168.2	-55.3	179.1	0	0	0	108.2	W91 L94 L101 V386 H387 C388 I390 Q407	W91-I402 HydrophobicContact CB-CD1 3.87Å; W91-I402 HydrophobicContact CD2-CG2 3.95Å; W91-I402 HydrophobicContact CE3-CG2 3.96Å; W91-I402 HydrophobicContact CG-CG2 4.29Å; W91-I402 HydrophobicContact CZ3-CG2 4.4Å; L94-I402 HydrophobicContact CB-CD1 3.98Å; L94-I402 HydrophobicContact CD1-CD1 4.06Å; L94-I402 HydrophobicContact CD1-CG1 4.43Å; L94-I402 HydrophobicContact CD1-CG2 3.86Å; L101-I402 HydrophobicContact CD2-CD1 3.77Å; V386-I402 WeakPolarHBondContact CG1-O 3.42Å; H387-I402 PolarHBondContact N-O 3.21Å; C388-I402 HydrophobicContact CB-CB 4.21Å; C388-I402 HydrophobicContact CB-CD1 4.16Å; C388-I402 HydrophobicContact CB-CG1 4.35Å; C388-I402 PolarHBondContact O-N 3.21Å; I390-I402 HydrophobicContact CD1-CD1 3.87Å; I390-I402 HydrophobicContact CD1-CG1 3.73Å; I390-I402 HydrophobicContact CG1-CD1 4Å; I390-I402 HydrophobicContact CG1-CG1 3.84Å; I402-Q407 WeakPolarHBondContact CA-O 3.28Å
403	D	93.2	Very high	93.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	176.5	-175.7	89.5	-20.3	0	0	0	113.3	H384 R405 G406 Q407 I409	H384-D403 IonicContact NE2-OD2 2.68Å; H384-D403 PolarHBondContact NE2-OD2 2.85Å; D403-R405 PolarHBondContact O-N 2.86Å; D403-R405 VanDerWaalsContact O-N 3.14Å; D403-R405 VanDerWaalsContact OD1-C 3.31Å; D403-R405 VanDerWaalsContact OD1-CA 3.25Å; D403-R405 WeakPolarHBondContact OD1-CA 3.27Å; D403-R405 VanDerWaalsContact OD1-CB 3.31Å; D403-R405 WeakPolarHBondContact OD1-CB 3.05Å; D403-R405 PolarHBondContact OD1-N 2.8Å; D403-R405 WeakPolarHBondContact OD2-CB 3.14Å; D403-R405 WeakPolarHBondContact OD2-CG 3.44Å; D403-G406 PolarHBondContact O-N 2.78Å; D403-G406 VanDerWaalsContact O-N 3.16Å; D403-G406 PolarHBondContact OD1-N 2.58Å; D403-Q407 PolarHBondContact N-O 2.75Å; D403-Q407 VanDerWaalsContact N-O 3.08Å; D403-Q407 WeakPolarHBondContact OD1-CB 3.18Å; D403-Q407 PolarHBondContact OD1-N 2.77Å; D403-I409 HydrophobicContact CB-CD1 4.38Å
404	S	90.1	Very high	94	Very high	37 Å²	37	43.7 Å²	43.7	26%	0.259	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-8.8	176.8	66.3	0	0	0	0	114.8	S385	S385-S404 WeakPolarHBondContact O-CB 3.09Å; S385-S404 PolarHBondContact O-N 2.82Å
405	R	89.4	Confident	94.5	Very high	153 Å²	153	36.2 Å²	36.2	58%	0.577	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	-13.8	177.5	-51.1	178.7	178.9	-169.7	1.1	112	H384 D403	H384-R405 PolarHBondContact CE1-NH2 2.85Å; H384-R405 VanDerWaalsContact CE1-NH2 3.33Å; H384-R405 WeakPolarHBondContact NE2-CD 3.39Å; H384-R405 PolarHBondContact NE2-NE 2.8Å; D403-R405 PolarHBondContact O-N 2.86Å; D403-R405 VanDerWaalsContact O-N 3.14Å; D403-R405 VanDerWaalsContact OD1-C 3.31Å; D403-R405 VanDerWaalsContact OD1-CA 3.25Å; D403-R405 WeakPolarHBondContact OD1-CA 3.27Å; D403-R405 VanDerWaalsContact OD1-CB 3.31Å; D403-R405 WeakPolarHBondContact OD1-CB 3.05Å; D403-R405 PolarHBondContact OD1-N 2.8Å; D403-R405 WeakPolarHBondContact OD2-CB 3.14Å; D403-R405 WeakPolarHBondContact OD2-CG 3.44Å
406	G	89.4	Confident	94.7	Very high	20 Å²	20	33.4 Å²	33.4	21%	0.206	17%	0.166	C	C	.	.	S	Bend	trans	90.1	14.4	-173.2	0	0	0	0	0	114.3	L94 D403	L94-G406 WeakPolarHBondContact CD1-O 3.22Å; D403-G406 PolarHBondContact O-N 2.78Å; D403-G406 VanDerWaalsContact O-N 3.16Å; D403-G406 PolarHBondContact OD1-N 2.58Å
407	Q	92.6	Very high	94.8	Very high	45 Å²	45	30.5 Å²	30.5	21%	0.21	15%	0.149	C	C	.	.			trans	-78.7	128.7	174	-172.1	174.4	-8.4	0	0	110.5	L22 I402 D403 I409	L22-Q407 PolarHBondContact O-NE2 3.48Å; I402-Q407 WeakPolarHBondContact CA-O 3.28Å; D403-Q407 PolarHBondContact N-O 2.75Å; D403-Q407 VanDerWaalsContact N-O 3.08Å; D403-Q407 WeakPolarHBondContact OD1-CB 3.18Å; D403-Q407 PolarHBondContact OD1-N 2.77Å; Q407-I409 HydrophobicContact CB-CG1 4.44Å; Q407-I409 HydrophobicContact CG-CG1 3.9Å
408	R	95	Very high	94.4	Very high	55 Å²	55	26 Å²	26	21%	0.208	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.5	167.2	178.6	173	171.2	132.4	0	108.7	L94 E96 E99 I390 A400 V401	L94-R408 PolarHBondContact O-NH1 3.06Å; E96-R408 IonicContact OE1-CZ 3.25Å; E96-R408 IonicContact OE1-NH2 2.89Å; E99-R408 IonicContact OE1-CZ 3.44Å; E99-R408 IonicContact OE1-NH1 2.73Å; E99-R408 IonicContact OE1-NH2 3.74Å; E99-R408 PolarHBondContact OE1-NH2 2.97Å; E99-R408 IonicContact OE2-CZ 3.22Å; E99-R408 IonicContact OE2-NH1 2.81Å; E99-R408 PolarHBondContact OE2-NH1 2.84Å; E99-R408 IonicContact OE2-NH2 2.69Å; E99-R408 PolarHBondContact OE2-NH2 3.46Å; I390-R408 HydrophobicContact CD1-CG 3.87Å; A400-R408 HydrophobicContact CB-CG 3.98Å; V401-R408 WeakPolarHBondContact O-CA 3.39Å
409	I	96.7	Very high	94	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.2	-179.2	-56.2	175.7	0	0	0	108.5	L22 F26 L52 A400 V401 D403 Q407	L22-I409 HydrophobicContact CB-CD1 4.47Å; L22-I409 HydrophobicContact CD1-CD1 4.29Å; F26-I409 HydrophobicContact CD2-CG2 3.66Å; F26-I409 HydrophobicContact CE2-CG2 4.07Å; L52-I409 HydrophobicContact CD2-CD1 3.96Å; L52-I409 HydrophobicContact CD2-CG2 4.19Å; A400-I409 CarbonylContact C-O 3.49Å; A400-I409 WeakPolarHBondContact CA-O 3.38Å; A400-I409 VanDerWaalsContact CB-O 3.26Å; A400-I409 WeakPolarHBondContact CB-O 3.49Å; V401-I409 HydrophobicContact CG2-CB 3.89Å; V401-I409 PolarHBondContact N-O 3.29Å; V401-I409 PolarHBondContact O-N 2.81Å; D403-I409 HydrophobicContact CB-CD1 4.38Å; Q407-I409 HydrophobicContact CB-CG1 4.44Å; Q407-I409 HydrophobicContact CG-CG1 3.9Å
410	S	97.5	Very high	93.7	Very high	42 Å²	42	23 Å²	23	29%	0.294	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	144.7	179.9	-63.5	0	0	0	0	112.2	S24 D25 F26 K399	S24-S410 PolarHBondContact O-N 3.46Å; D25-S410 VanDerWaalsContact OD1-CB 3.31Å; D25-S410 WeakPolarHBondContact OD1-CB 3.48Å; F26-S410 PolarHBondContact N-O 3.02Å; K399-S410 WeakPolarHBondContact O-CA 3.49Å
411	C	97.4	Very high	93.1	Very high	7 Å²	7	23.1 Å²	23.1	5%	0.047	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	141.9	-178.9	59.6	0	0	0	0	113.3	F26 V29 K399 I414	F26-C411 WeakPolarHBondContact O-CA 3.35Å; V29-C411 HydrophobicContact CB-CB 4.26Å; V29-C411 HydrophobicContact CG2-CB 3.6Å; K399-C411 PolarHBondContact O-N 2.89Å; C411-I414 VanDerWaalsContact SG-CG1 3.55Å
412	S	97.3	Very high	92.1	Very high	55 Å²	55	25.4 Å²	25.4	39%	0.385	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-35.1	173.9	-73.8	0	0	0	0	112.9	D27 R397 N546	D27-S412 WeakPolarHBondContact O-CA 3.45Å; D27-S412 VanDerWaalsContact O-CB 3.28Å; D27-S412 WeakPolarHBondContact O-CB 3.31Å; D27-S412 PolarHBondContact O-N 3.11Å; R397-S412 PolarHBondContact NH2-O 3.5Å; S412-N546 PolarHBondContact O-ND2 3.38Å
413	H	98.1	Very high	90.7	Very high	37 Å²	37	27.3 Å²	27.3	17%	0.171	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.7	175.6	-67.7	-92.8	0	0	0	112	D27 I28 V29 H548 I573	D27-H413 PolarHBondContact O-N 2.8Å; I28-H413 WeakPolarHBondContact CA-O 3.43Å; I28-H413 HydrophobicContact CG1-CB 4.38Å; I28-H413 HydrophobicContact CG2-CB 4.37Å; V29-H413 PolarHBondContact N-O 2.99Å; H413-H548 AromaticContact CE1-NE2 3.45Å; H413-H548 PolarHBondContact CE1-NE2 3.05Å; H413-H548 AromaticContact CG-NE2 3.48Å; H413-H548 AromaticContact ND1-NE2 2.65Å; H413-H548 PolarHBondContact ND1-NE2 2.9Å; H413-I573 HydrophobicContact CB-CD1 4.49Å; H413-I573 HydrophobicContact CB-CG1 4.43Å; H413-I573 HydrophobicContact CB-CG2 4.37Å
414	I	98	Very high	89.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.5	172	-58	-177	0	0	0	109.5	V29 L389 C398 V401 C411 M416 N546 V547 H548	V29-I414 HydrophobicContact CB-CG1 4.49Å; V29-I414 CarbonylContact O-C 3.35Å; V29-I414 VanDerWaalsContact O-CA 3.28Å; V29-I414 WeakPolarHBondContact O-CA 3.48Å; L389-I414 HydrophobicContact CD2-CD1 3.75Å; C398-I414 HydrophobicContact CB-CD1 4.14Å; C398-I414 WeakPolarHBondContact SG-CD1 3.29Å; V401-I414 HydrophobicContact CG1-CD1 3.51Å; V401-I414 HydrophobicContact CG1-CG1 4.47Å; C411-I414 VanDerWaalsContact SG-CG1 3.55Å; I414-M416 HydrophobicContact CG2-CE 3.76Å; I414-N546 PolarHBondContact N-O 2.69Å; I414-V547 HydrophobicContact CB-CG2 4.32Å; I414-V547 WeakPolarHBondContact O-CA 3.26Å; I414-H548 PolarHBondContact O-CD2 3.24Å; I414-H548 PolarHBondContact O-N 2.85Å
415	V	97.7	Very high	87.5	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.3	170.4	-172.5	0	0	0	0	107.8	I28 V29 I30 L31 V40 H548 C550 I569 I573	I28-V415 HydrophobicContact CG2-CG2 4.17Å; V29-V415 PolarHBondContact O-N 3.33Å; I30-V415 CarbonylContact C-O 3.55Å; I30-V415 VanDerWaalsContact CA-O 3.26Å; I30-V415 WeakPolarHBondContact CA-O 3.39Å; I30-V415 HydrophobicContact CG1-CB 4.16Å; I30-V415 HydrophobicContact CG1-CG2 4.41Å; I30-V415 HydrophobicContact CG2-CB 4.31Å; L31-V415 PolarHBondContact N-O 2.79Å; V40-V415 HydrophobicContact CG1-CG2 4.12Å; V415-H548 CarbonylContact C-O 3.42Å; V415-H548 WeakPolarHBondContact CA-O 3.23Å; V415-H548 HydrophobicContact CG2-CB 4.31Å; V415-C550 WeakPolarHBondContact CG1-SG 3.36Å; V415-I569 HydrophobicContact CG1-CD1 4.48Å; V415-I569 HydrophobicContact CG1-CG2 4.22Å; V415-I569 HydrophobicContact CG2-CG2 4.01Å; V415-I573 HydrophobicContact CG2-CD1 4Å
416	M	93.9	Very high	86.2	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	147.1	178.5	68.7	179.2	74.6	0	0	113.7	L31 L104 L389 I414 L421 V547 H548 I549 C550	L31-M416 HydrophobicContact CB-CB 3.79Å; L31-M416 HydrophobicContact CD1-CB 4.16Å; L31-M416 HydrophobicContact CD1-CE 4.19Å; L31-M416 HydrophobicContact CG-CB 4.23Å; L31-M416 WeakPolarHBondContact O-CA 3.19Å; L104-M416 HydrophobicContact CD1-CE 4.46Å; L104-M416 HydrophobicContact CD2-CE 4.15Å; L104-M416 HydrophobicContact CD2-SD 4.1Å; L389-M416 HydrophobicContact CD1-CE 3.98Å; L389-M416 HydrophobicContact CD2-CE 3.94Å; I414-M416 HydrophobicContact CG2-CE 3.76Å; M416-L421 HydrophobicContact SD-CD2 3.77Å; M416-L421 HydrophobicContact SD-CG 4.17Å; M416-V547 HydrophobicContact CE-CG1 3.82Å; M416-H548 PolarHBondContact N-O 2.95Å; M416-I549 HydrophobicContact CG-CD1 3.45Å; M416-I549 VanDerWaalsContact CG-CD1 3.45Å; M416-I549 WeakPolarHBondContact O-CA 3.28Å; M416-I549 HydrophobicContact SD-CD1 4.02Å; M416-C550 PolarHBondContact O-N 2.76Å
417	E	91.1	Very high	84.4	Confident	21 Å²	21	32.9 Å²	32.9	10%	0.098	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	145.7	167.1	-161.7	-81.6	124.7	0	0	110.5	L31 E37 S419 Y420 R423	L31-E417 PolarHBondContact O-N 3.42Å; E37-E417 VanDerWaalsContact OE1-CB 3.23Å; E37-E417 WeakPolarHBondContact OE1-CB 3.44Å; E37-E417 VanDerWaalsContact OE1-CG 3.29Å; E37-E417 WeakPolarHBondContact OE1-CG 3.47Å; E417-S419 VanDerWaalsContact CD-N 3.27Å; E417-S419 PolarHBondContact O-N 2.68Å; E417-S419 VanDerWaalsContact O-N 3.11Å; E417-S419 PolarHBondContact OE1-N 3.36Å; E417-S419 WeakPolarHBondContact OE2-CA 3.25Å; E417-S419 WeakPolarHBondContact OE2-CB 3.31Å; E417-S419 PolarHBondContact OE2-N 3.05Å; E417-S419 PolarHBondContact OE2-OG 2.84Å; E417-Y420 HydrophobicContact CB-CD2 4.28Å; E417-Y420 PolarHBondContact O-N 3.08Å; E417-R423 IonicContact OE1-NH2 2.7Å
418	T	87.4	Confident	82.8	Confident	1 Å²	1	33 Å²	33	1%	0.006	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-56.7	-27.1	-174.9	-53.2	0	0	0	0	114.4	Y420 L421 R423 V538 I549 C550	T418-Y420 PolarHBondContact O-N 2.82Å; T418-L421 WeakPolarHBondContact O-CB 3.29Å; T418-L421 PolarHBondContact O-N 3.18Å; T418-R423 VanDerWaalsContact CG2-NH2 3.35Å; T418-V538 HydrophobicContact CG2-CG2 4.37Å; T418-I549 VanDerWaalsContact OG1-CG2 3.29Å; T418-I549 WeakPolarHBondContact OG1-CG2 3.43Å; T418-C550 PolarHBondContact N-O 3.15Å; T418-C550 PolarHBondContact OG1-O 3.43Å
419	S	85.9	Confident	81.2	Confident	5 Å²	5	36 Å²	36	4%	0.035	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-75.3	-1.4	175.9	75.9	0	0	0	0	115.2	R56 E417 L421	R56-S419 PolarHBondContact NH1-O 3.41Å; R56-S419 PolarHBondContact NH2-O 3.02Å; R56-S419 PolarHBondContact NH2-OG 3.26Å; E417-S419 VanDerWaalsContact CD-N 3.27Å; E417-S419 PolarHBondContact O-N 2.68Å; E417-S419 VanDerWaalsContact O-N 3.11Å; E417-S419 PolarHBondContact OE1-N 3.36Å; E417-S419 WeakPolarHBondContact OE2-CA 3.25Å; E417-S419 WeakPolarHBondContact OE2-CB 3.31Å; E417-S419 PolarHBondContact OE2-N 3.05Å; E417-S419 PolarHBondContact OE2-OG 2.84Å; S419-L421 VanDerWaalsContact C-N 3.25Å
420	Y	88.6	Confident	79.8	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.016	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-79.2	-10.6	162.5	-72.9	-93.1	0	0	0	112	L31 D55 R56 L104 S105 E417 T418	L31-Y420 HydrophobicContact CB-CD1 4.09Å; L31-Y420 HydrophobicContact CB-CD2 4.19Å; L31-Y420 HydrophobicContact CB-CE1 4.11Å; L31-Y420 HydrophobicContact CB-CE2 4.23Å; L31-Y420 HydrophobicContact CB-CG 4.13Å; L31-Y420 HydrophobicContact CD1-CD1 4.36Å; D55-Y420 PolarHBondContact OD1-OH 3.48Å; R56-Y420 HydrophobicContact CG-CE1 4.35Å; R56-Y420 PolarHBondContact N-OH 2.92Å; R56-Y420 VanDerWaalsContact N-OH 3.14Å; L104-Y420 CarbonylContact C-O 3.57Å; L104-Y420 WeakPolarHBondContact CA-O 3.15Å; L104-Y420 WeakPolarHBondContact CB-O 3.27Å; S105-Y420 PolarHBondContact N-O 2.89Å; E417-Y420 HydrophobicContact CB-CD2 4.28Å; E417-Y420 PolarHBondContact O-N 3.08Å; T418-Y420 PolarHBondContact O-N 2.82Å
421	L	84.9	Confident	79.2	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	24%	0.244	C	C	.	.	S	Bend	trans	-94.1	146.7	172.9	-59.1	176.2	0	0	0	112	L104 M416 T418 S419 R423 V538 L543 I549	L104-L421 HydrophobicContact CD2-CD2 4.42Å; M416-L421 HydrophobicContact SD-CD2 3.77Å; M416-L421 HydrophobicContact SD-CG 4.17Å; T418-L421 WeakPolarHBondContact O-CB 3.29Å; T418-L421 PolarHBondContact O-N 3.18Å; S419-L421 VanDerWaalsContact C-N 3.25Å; L421-R423 PolarHBondContact O-N 2.89Å; L421-V538 HydrophobicContact CD1-CG1 4.04Å; L421-V538 HydrophobicContact CD1-CG2 4.2Å; L421-L543 HydrophobicContact CD1-CD1 4.1Å; L421-L543 HydrophobicContact CD2-CD2 4.07Å; L421-I549 HydrophobicContact CD1-CD1 3.8Å; L421-I549 HydrophobicContact CD1-CG1 4.25Å; L421-I549 HydrophobicContact CG-CD1 4.38Å
422	D	75.8	Confident	79	Confident	48 Å²	48	45 Å²	45	26%	0.257	25%	0.254	S	S	.	.			trans	-67.7	98	169	175.6	7.2	0	0	0	111	S424 K425 Q541	D422-S424 VanDerWaalsContact CG-OG 3.23Å; D422-S424 PolarHBondContact O-N 3.01Å; D422-S424 VanDerWaalsContact OD1-CB 3.23Å; D422-S424 WeakPolarHBondContact OD1-CB 3.27Å; D422-S424 PolarHBondContact OD1-N 3.45Å; D422-S424 PolarHBondContact OD1-OG 2.94Å; D422-S424 PolarHBondContact OD2-OG 3.09Å; D422-K425 PolarHBondContact O-N 3.04Å; D422-K425 VanDerWaalsContact OD2-CE 3.23Å; D422-K425 WeakPolarHBondContact OD2-CE 3.31Å; D422-K425 IonicContact OD2-NZ 3.77Å; D422-K425 PolarHBondContact OD2-NZ 3.37Å; D422-Q541 PolarHBondContact O-NE2 3.33Å; D422-Q541 VanDerWaalsContact O-NE2 3.11Å
423	R	64.6	Low	78.9	Confident	40 Å²	40	42.7 Å²	42.7	15%	0.151	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-64	-13.8	179.6	-70.4	-172.4	179	-103.7	2.9	114	E417 T418 L421 K425 V426 S536	E417-R423 IonicContact OE1-NH2 2.7Å; T418-R423 VanDerWaalsContact CG2-NH2 3.35Å; L421-R423 PolarHBondContact O-N 2.89Å; R423-K425 PolarHBondContact O-N 2.87Å; R423-K425 VanDerWaalsContact O-N 3.15Å; R423-V426 PolarHBondContact O-N 2.68Å; R423-S536 PolarHBondContact NH1-OG 3.15Å
424	S	60.3	Low	78.8	Confident	100 Å²	100	40.9 Å²	40.9	70%	0.699	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-66.1	-14	176.2	74.5	0	0	0	0	113.8	D422	D422-S424 VanDerWaalsContact CG-OG 3.23Å; D422-S424 PolarHBondContact O-N 3.01Å; D422-S424 VanDerWaalsContact OD1-CB 3.23Å; D422-S424 WeakPolarHBondContact OD1-CB 3.27Å; D422-S424 PolarHBondContact OD1-N 3.45Å; D422-S424 PolarHBondContact OD1-OG 2.94Å; D422-S424 PolarHBondContact OD2-OG 3.09Å
425	K	56.3	Low	78.9	Confident	120 Å²	120	41.1 Å²	41.1	52%	0.522	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-104.1	6.3	-179.2	-60.2	172.5	-179.8	127.2	0	113.9	D422 R423 Q541	D422-K425 PolarHBondContact O-N 3.04Å; D422-K425 VanDerWaalsContact OD2-CE 3.23Å; D422-K425 WeakPolarHBondContact OD2-CE 3.31Å; D422-K425 IonicContact OD2-NZ 3.77Å; D422-K425 PolarHBondContact OD2-NZ 3.37Å; R423-K425 PolarHBondContact O-N 2.87Å; R423-K425 VanDerWaalsContact O-N 3.15Å; K425-Q541 HydrophobicContact CB-CG 4.13Å
426	V	61	Low	78.9	Confident	28 Å²	28	41.1 Å²	41.1	17%	0.17	23%	0.229	C	C	.	.			trans	-88.4	128.1	178	177.8	0	0	0	0	109.3	R423 T428 V538	R423-V426 PolarHBondContact O-N 2.68Å; V426-T428 VanDerWaalsContact C-N 3.34Å; V426-T428 WeakPolarHBondContact CG1-OG1 3.44Å; V426-T428 PolarHBondContact O-N 3Å; V426-V538 HydrophobicContact CG2-CG1 4.35Å
427	A	51.9	Low	79.1	Confident	79 Å²	79	41.1 Å²	41.1	65%	0.653	23%	0.229	S	C	*	.	S	Bend	trans	-74.9	-20.6	-174	0	0	0	0	0	114.3	E539	A427-E539 VanDerWaalsContact CB-O 3.3Å; A427-E539 WeakPolarHBondContact CB-O 3.25Å; A427-E539 PolarHBondContact N-O 3.12Å
428	T	58.7	Low	79.5	Confident	46 Å²	46	40.1 Å²	40.1	28%	0.282	23%	0.225	S	C	.	.	S	Bend	trans	-93.3	135.7	-174.9	45.7	0	0	0	0	112.2	V426 S430 Q537	V426-T428 VanDerWaalsContact C-N 3.34Å; V426-T428 WeakPolarHBondContact CG1-OG1 3.44Å; V426-T428 PolarHBondContact O-N 3Å; T428-S430 PolarHBondContact O-N 3.14Å; T428-Q537 PolarHBondContact OG1-O 3.35Å
429	P	61.6	Low	80	Confident	120 Å²	120	40.1 Å²	40.1	78%	0.779	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-62.5	123.4	172.4	-20.9	32.5	0	0	0	110.7	R431	P429-R431 PolarHBondContact O-N 3.26Å
430	S	68.6	Low	80.6	Confident	46 Å²	46	39.9 Å²	39.9	32%	0.322	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-61.9	126.8	175.2	-66.7	0	0	0	0	110.2	T428 F432	T428-S430 PolarHBondContact O-N 3.14Å; S430-F432 WeakPolarHBondContact O-CD2 3.21Å; S430-F432 WeakPolarHBondContact O-CE2 3.27Å
431	R	85.1	Confident	80.8	Confident	138 Å²	138	41 Å²	41	52%	0.521	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-80.5	156.2	166.6	-58.8	178.7	-175	154.5	0.6	109	P429 D532 A535	P429-R431 PolarHBondContact O-N 3.26Å; R431-D532 HydrophobicContact CB-CB 4.01Å; R431-D532 WeakPolarHBondContact O-CB 3.43Å; R431-D532 PolarHBondContact O-N 3.37Å; R431-A535 HydrophobicContact CB-CB 3.66Å; R431-A535 HydrophobicContact CG-CB 3.66Å
432	F	91.9	Very high	81.3	Confident	54 Å²	54	42.3 Å²	42.3	24%	0.237	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.6	178.5	-68.2	-93.3	0	0	0	111.1	T113 S430 S492 N529 M530 A531	T113-F432 HydrophobicContact CG2-CE1 4.45Å; S430-F432 WeakPolarHBondContact O-CD2 3.21Å; S430-F432 WeakPolarHBondContact O-CE2 3.27Å; F432-S492 WeakPolarHBondContact O-CB 3.37Å; F432-S492 PolarHBondContact O-N 2.82Å; F432-N529 HydrophobicContact CB-CB 4.27Å; F432-N529 HydrophobicContact CD1-CB 4.14Å; F432-N529 HydrophobicContact CG-CB 4.47Å; F432-M530 CarbonylContact C-O 3.54Å; F432-M530 VanDerWaalsContact CA-O 3.27Å; F432-M530 WeakPolarHBondContact CA-O 3.07Å; F432-A531 HydrophobicContact CD1-CB 4.37Å; F432-A531 HydrophobicContact CE1-CB 4.09Å
433	L	94.9	Very high	82.2	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.8	163.6	-49.2	-177.1	0	0	0	107.3	N529 M530 D532	L433-N529 VanDerWaalsContact O-CA 3.26Å; L433-N529 WeakPolarHBondContact O-CA 3.47Å; L433-N529 PolarHBondContact O-ND2 3.24Å; L433-M530 PolarHBondContact N-O 3.48Å; L433-M530 PolarHBondContact O-N 2.84Å; L433-D532 HydrophobicContact CD2-CB 3.97Å; L433-D532 HydrophobicContact CG-CB 4.2Å
434	S	97.6	Very high	83.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.7	169.5	-79.5	0	0	0	0	108.1	T489 C490 S492 A496 D499 N529	S434-T489 WeakPolarHBondContact O-CA 3.46Å; S434-C490 VanDerWaalsContact CB-SG 3.59Å; S434-C490 PolarHBondContact N-O 3.06Å; S434-C490 PolarHBondContact O-N 2.9Å; S434-S492 WeakPolarHBondContact OG-CA 3.08Å; S434-S492 WeakPolarHBondContact OG-CB 3.36Å; S434-A496 WeakPolarHBondContact OG-CA 3.33Å; S434-D499 WeakPolarHBondContact CB-OD2 3.08Å; S434-D499 PolarHBondContact OG-OD2 3.44Å; S434-N529 PolarHBondContact OG-ND2 2.92Å
435	R	98.3	Very high	85.3	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.6	-176.8	-70.5	-75	-70.5	128.8	-1.2	110.6	D216 L217 V218 S219 H487 L488 T489 A496 L500 Y527 F528	D216-R435 PolarHBondContact O-NH2 2.8Å; L217-R435 VanDerWaalsContact O-CZ 3.3Å; L217-R435 PolarHBondContact O-NE 3.16Å; L217-R435 PolarHBondContact O-NH2 2.93Å; V218-R435 VanDerWaalsContact C-NH2 3.29Å; V218-R435 PolarHBondContact O-NH2 3.29Å; S219-R435 VanDerWaalsContact CB-NH1 3.27Å; R435-H487 PolarHBondContact NH2-ND1 3.01Å; R435-H487 VanDerWaalsContact NH2-ND1 3.18Å; R435-L488 WeakPolarHBondContact CA-O 3.4Å; R435-L488 PolarHBondContact NH1-O 2.8Å; R435-T489 VanDerWaalsContact CD-OG1 3.27Å; R435-T489 WeakPolarHBondContact CD-OG1 3.5Å; R435-T489 PolarHBondContact NH1-OG1 2.9Å; R435-A496 WeakPolarHBondContact O-CB 3.38Å; R435-L500 VanDerWaalsContact C-CD1 3.49Å; R435-Y527 WeakPolarHBondContact O-CA 3.42Å; R435-F528 HydrophobicContact CB-CD1 4.09Å; R435-F528 HydrophobicContact CB-CD2 4.33Å; R435-F528 HydrophobicContact CB-CE1 3.77Å; R435-F528 HydrophobicContact CB-CE2 4.03Å; R435-F528 HydrophobicContact CB-CG 4.37Å; R435-F528 HydrophobicContact CB-CZ 3.74Å; R435-F528 WeakPolarHBondContact CB-O 3.29Å; R435-F528 HydrophobicContact CG-CE2 4.17Å; R435-F528 HydrophobicContact CG-CZ 4.09Å; R435-F528 PolarHBondContact N-O 3.3Å; R435-F528 PolarHBondContact O-N 3.16Å
436	A	98.6	Very high	86.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.4	161.5	0	0	0	0	0	110.8	H487 L488 L500 L526 Y527	A436-H487 WeakPolarHBondContact O-CA 3.32Å; A436-L488 HydrophobicContact CB-CB 4.24Å; A436-L488 HydrophobicContact CB-CD1 4.34Å; A436-L488 PolarHBondContact N-O 2.89Å; A436-L488 PolarHBondContact O-N 3.29Å; A436-L500 HydrophobicContact CB-CB 4.38Å; A436-L500 HydrophobicContact CB-CD1 3.64Å; A436-L526 CarbonylContact C-O 3.55Å; A436-L526 VanDerWaalsContact CA-O 3.24Å; A436-L526 WeakPolarHBondContact CA-O 2.91Å; A436-Y527 HydrophobicContact CB-CD1 3.55Å; A436-Y527 HydrophobicContact CB-CE1 3.69Å; A436-Y527 HydrophobicContact CB-CG 4.27Å
437	V	98.8	Very high	88.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.7	172.9	-174.1	0	0	0	0	107.4	I215 L485 V486 S525 L526 F528	I215-V437 HydrophobicContact CG2-CG1 3.66Å; I215-V437 HydrophobicContact CG2-CG2 4.44Å; V437-L485 HydrophobicContact CG1-CD1 3.64Å; V437-L485 HydrophobicContact CG1-CG 4.47Å; V437-V486 CarbonylContact C-O 3.49Å; V437-V486 WeakPolarHBondContact CA-O 3.47Å; V437-S525 CarbonylContact O-C 3.57Å; V437-S525 VanDerWaalsContact O-CA 3.23Å; V437-S525 WeakPolarHBondContact O-CA 3.32Å; V437-L526 PolarHBondContact N-O 2.87Å; V437-L526 PolarHBondContact O-N 3.16Å; V437-F528 HydrophobicContact CG2-CE1 4.41Å
438	L	98.7	Very high	89.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.9	178.2	-39.2	176.5	0	0	0	109.1	T440 V486 L488 V504 F508 V522 W524 S525	L438-T440 HydrophobicContact CB-CG2 4.06Å; L438-V486 HydrophobicContact CB-CB 4.22Å; L438-V486 HydrophobicContact CD1-CB 4.45Å; L438-V486 PolarHBondContact N-O 2.99Å; L438-V486 PolarHBondContact O-N 3.31Å; L438-L488 HydrophobicContact CD1-CD1 3.77Å; L438-L488 HydrophobicContact CG-CD1 3.88Å; L438-V504 HydrophobicContact CD1-CG1 3.93Å; L438-V504 HydrophobicContact CD1-CG2 4.06Å; L438-V504 HydrophobicContact CD2-CG1 4.15Å; L438-V504 HydrophobicContact CD2-CG2 4.22Å; L438-F508 HydrophobicContact CD1-CD2 3.95Å; L438-F508 HydrophobicContact CD1-CE1 4.39Å; L438-F508 HydrophobicContact CD1-CE2 3.7Å; L438-F508 HydrophobicContact CD1-CG 4.43Å; L438-F508 HydrophobicContact CD1-CZ 3.95Å; L438-V522 HydrophobicContact CB-CG1 4.31Å; L438-V522 HydrophobicContact CD2-CG1 4.46Å; L438-W524 WeakPolarHBondContact CA-O 3.36Å; L438-S525 VanDerWaalsContact CD2-CB 3.5Å
439	I	98.5	Very high	91.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.3	160.2	-57.9	173.9	0	0	0	106.4	F69 L206 Y213 T483 Y484 L485 L523 W524	F69-I439 HydrophobicContact CD2-CD1 3.98Å; F69-I439 HydrophobicContact CE2-CD1 3.83Å; L206-I439 HydrophobicContact CD2-CG2 4.29Å; Y213-I439 HydrophobicContact CD1-CD1 4.3Å; Y213-I439 HydrophobicContact CE1-CD1 3.75Å; Y213-I439 HydrophobicContact CE1-CG1 4.08Å; Y213-I439 HydrophobicContact CE1-CG2 4.13Å; I439-T483 HydrophobicContact CG2-CG2 4.06Å; I439-Y484 WeakPolarHBondContact CA-O 3.48Å; I439-L485 HydrophobicContact CG1-CD1 4.15Å; I439-L523 HydrophobicContact CG2-CB 4.49Å; I439-L523 HydrophobicContact CG2-CD1 4.33Å; I439-L523 WeakPolarHBondContact O-CB 3.35Å; I439-L523 PolarHBondContact O-N 2.94Å; I439-W524 HydrophobicContact CB-CB 4.41Å; I439-W524 HydrophobicContact CD1-CB 4.35Å; I439-W524 HydrophobicContact CD1-CE3 4.09Å; I439-W524 HydrophobicContact CG1-CE3 4.17Å; I439-W524 PolarHBondContact N-O 2.99Å; I439-W524 PolarHBondContact O-N 2.58Å
440	T	97.1	Very high	92.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	156.9	-178	67.1	0	0	0	0	112.4	L438 S442 T483 Y484 V486 F508 S521	L438-T440 HydrophobicContact CB-CG2 4.06Å; T440-S442 PolarHBondContact OG1-O 3.1Å; T440-T483 CarbonylContact O-C 3.56Å; T440-T483 WeakPolarHBondContact O-CA 3.49Å; T440-T483 WeakPolarHBondContact O-CB 3.4Å; T440-Y484 PolarHBondContact N-O 2.89Å; T440-Y484 PolarHBondContact O-N 3.41Å; T440-V486 HydrophobicContact CG2-CG2 4.15Å; T440-F508 HydrophobicContact CG2-CD1 3.83Å; T440-F508 HydrophobicContact CG2-CE1 3.74Å; T440-S521 WeakPolarHBondContact CA-O 3.46Å; T440-S521 WeakPolarHBondContact CB-O 3.49Å
441	D	94.7	Very high	93.1	Very high	28 Å²	28	44.2 Å²	44.2	15%	0.15	23%	0.232	C	C	.	.	S	Bend	trans	-78.5	-17.6	-179.9	68	-1.7	0	0	0	114.4	R198 R509 S521 L523	R198-D441 PolarHBondContact NE-O 2.93Å; R198-D441 PolarHBondContact NH2-O 2.93Å; D441-R509 IonicContact OD2-NH2 3.37Å; D441-S521 PolarHBondContact N-O 3.02Å; D441-S521 VanDerWaalsContact N-O 3.1Å; D441-S521 PolarHBondContact OD1-N 3.31Å; D441-S521 WeakPolarHBondContact OD2-CB 3.34Å; D441-S521 PolarHBondContact OD2-OG 3.01Å; D441-L523 HydrophobicContact CB-CD1 4.42Å; D441-L523 HydrophobicContact CB-CD2 4.3Å
442	S	94.2	Very high	93.5	Very high	31 Å²	31	39.4 Å²	39.4	22%	0.217	22%	0.216	C	C	.	.	S	Bend	trans	-157.8	164.2	-171.5	53.6	0	0	0	0	111.8	T440 Y484 P520	T440-S442 PolarHBondContact OG1-O 3.1Å; S442-Y484 VanDerWaalsContact C-CD2 3.41Å; S442-P520 WeakPolarHBondContact O-CB 3.47Å; S442-P520 WeakPolarHBondContact OG-CA 3.41Å; S442-P520 VanDerWaalsContact OG-CB 3.25Å; S442-P520 WeakPolarHBondContact OG-CB 3.41Å
443	S	95.6	Very high	93.8	Very high	12 Å²	12	37 Å²	37	8%	0.084	21%	0.205	C	C	.	.			trans	-74.9	145.9	179.3	172.8	0	0	0	0	111.8	R248 L445 E471 P520	R248-S443 PolarHBondContact NH2-OG 3.04Å; S443-L445 PolarHBondContact O-N 3.14Å; S443-L445 PolarHBondContact OG-N 2.87Å; S443-L445 PolarHBondContact OG-O 3.03Å; S443-L445 VanDerWaalsContact OG-O 3.13Å; S443-E471 WeakPolarHBondContact CA-OE1 3.46Å; S443-E471 VanDerWaalsContact CB-OE1 3.22Å; S443-E471 WeakPolarHBondContact CB-OE1 3.47Å; S443-E471 PolarHBondContact OG-OE1 3.36Å; S443-E471 PolarHBondContact OG-OE2 2.91Å; S443-P520 WeakPolarHBondContact O-CG 3.48Å
444	V	94.9	Very high	93.9	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.079	20%	0.204	C	C	.	.	S	Bend	trans	-63.5	-20.9	176.6	-52.1	0	0	0	0	113.2	L250 I257 V456 M469 E471 F508	L250-V444 HydrophobicContact CD1-CG2 4.24Å; I257-V444 HydrophobicContact CD1-CB 3.72Å; I257-V444 HydrophobicContact CD1-CG2 3.95Å; I257-V444 VanDerWaalsContact CD1-O 3.28Å; I257-V444 WeakPolarHBondContact CD1-O 3.37Å; V444-V456 HydrophobicContact CG2-CG2 4.46Å; V444-M469 HydrophobicContact CB-CE 4.46Å; V444-M469 HydrophobicContact CG1-CE 3.97Å; V444-M469 HydrophobicContact CG2-CE 4.08Å; V444-E471 PolarHBondContact N-OE1 2.88Å; V444-F508 HydrophobicContact CG1-CE1 3.53Å; V444-F508 HydrophobicContact CG1-CZ 3.51Å
445	L	93.6	Very high	94	Very high	43 Å²	43	36.8 Å²	36.8	23%	0.225	20%	0.204	C	C	.	.	S	Bend	trans	-130.6	105.6	171	-179	64.1	0	0	0	108.8	R248 L250 I257 S443	R248-L445 PolarHBondContact NH1-O 2.77Å; R248-L445 PolarHBondContact NH2-O 3.25Å; L250-L445 HydrophobicContact CD1-CB 3.95Å; L250-L445 HydrophobicContact CD1-CD2 4.04Å; L250-L445 HydrophobicContact CD2-CD2 3.58Å; L250-L445 HydrophobicContact CG-CD2 4.5Å; I257-L445 HydrophobicContact CG2-CB 4.42Å; S443-L445 PolarHBondContact O-N 3.14Å; S443-L445 PolarHBondContact OG-N 2.87Å; S443-L445 PolarHBondContact OG-O 3.03Å; S443-L445 VanDerWaalsContact OG-O 3.13Å
446	P	90.6	Very high	93.9	Very high	111 Å²	111	36.6 Å²	36.6	72%	0.721	20%	0.203	S	C	*	.			trans	-54.5	144.6	179.2	-29.4	36.6	0	0	0	113.6
447	S	87.8	Confident	93.9	Very high	72 Å²	72	37 Å²	37	50%	0.503	21%	0.206	S	C	.	.			trans	-151.3	160.1	179	-171	0	0	0	0	109.7	S449	S447-S449 PolarHBondContact O-N 3.11Å
448	E	84.9	Confident	93.7	Very high	210 Å²	210	37.6 Å²	37.6	98%	0.981	21%	0.21	S	C	*	.	S	Bend	trans	-66.9	-22	171.3	-63.1	172.9	177.1	0	0	112
449	S	87.5	Confident	93.5	Very high	43 Å²	43	38.7 Å²	38.7	30%	0.301	22%	0.217	S	C	.	.			trans	-103.7	123.1	174.6	178	0	0	0	0	110.2	S447 Q451 Q452	S447-S449 PolarHBondContact O-N 3.11Å; S449-Q451 VanDerWaalsContact C-N 3.35Å; S449-Q451 PolarHBondContact OG-N 3.31Å; S449-Q452 WeakPolarHBondContact O-CG 3.37Å; S449-Q452 PolarHBondContact OG-NE2 3.25Å
450	D	83.6	Confident	93.1	Very high	77 Å²	77	41.7 Å²	41.7	41%	0.412	24%	0.236	S	C	.	.	S	Bend	trans	-80.2	-18.4	172.2	70.3	-31.2	0	0	0	112.7	Q452 S473 Y484	D450-Q452 PolarHBondContact O-N 2.72Å; D450-Q452 VanDerWaalsContact O-N 3.12Å; D450-S473 WeakPolarHBondContact O-CB 3.45Å; D450-Y484 VanDerWaalsContact CA-OH 3.26Å; D450-Y484 WeakPolarHBondContact CA-OH 3.33Å; D450-Y484 WeakPolarHBondContact CB-OH 3.45Å; D450-Y484 WeakPolarHBondContact O-CE1 3.47Å; D450-Y484 PolarHBondContact O-OH 2.84Å; D450-Y484 VanDerWaalsContact O-OH 3.07Å
451	Q	88.4	Confident	92.4	Very high	86 Å²	86	46.4 Å²	46.4	40%	0.402	26%	0.258	S	S	.	.			trans	-75.3	9.5	-177.8	-53.3	-58.7	-65.1	0	0	114.7	S449 S473 S475	S449-Q451 VanDerWaalsContact C-N 3.35Å; S449-Q451 PolarHBondContact OG-N 3.31Å; Q451-S473 PolarHBondContact O-OG 2.63Å; Q451-S475 PolarHBondContact O-OG 3.39Å
452	Q	94.3	Very high	91.4	Very high	38 Å²	38	49.4 Å²	49.4	18%	0.178	30%	0.296	C	S	.	.			trans	-68.7	149.4	-177.9	-61.8	-61	-61.9	0	0	112	T247 S449 D450 S473	T247-Q452 VanDerWaalsContact CB-OE1 3.28Å; T247-Q452 PolarHBondContact OG1-OE1 2.79Å; S449-Q452 WeakPolarHBondContact O-CG 3.37Å; S449-Q452 PolarHBondContact OG-NE2 3.25Å; D450-Q452 PolarHBondContact O-N 2.72Å; D450-Q452 VanDerWaalsContact O-N 3.12Å; Q452-S473 WeakPolarHBondContact O-CB 3.28Å; Q452-S473 PolarHBondContact O-OG 3.31Å
453	I	97.4	Very high	90.5	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	32%	0.322	C	S	.	.			trans	-124.7	128	169.6	-63.9	178.1	0	0	0	107.1	K244 V246 T247 R248 E471 L472	K244-I453 HydrophobicContact CB-CD1 3.67Å; K244-I453 HydrophobicContact CG-CD1 4.31Å; V246-I453 HydrophobicContact CB-CG2 4.35Å; V246-I453 HydrophobicContact CG1-CG2 4.3Å; V246-I453 WeakPolarHBondContact CG1-O 3.1Å; V246-I453 HydrophobicContact CG2-CG2 4Å; T247-I453 PolarHBondContact N-O 2.87Å; T247-I453 PolarHBondContact OG1-N 3.01Å; T247-I453 VanDerWaalsContact OG1-N 3.15Å; T247-I453 PolarHBondContact OG1-O 3.16Å; R248-I453 PolarHBondContact N-O 3.24Å; R248-I453 VanDerWaalsContact N-O 3.13Å; I453-E471 WeakPolarHBondContact CA-O 3.33Å; I453-L472 HydrophobicContact CG2-CD2 4.05Å
454	S	97.9	Very high	89.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.9	-170.9	-42	0	0	0	0	112.7	R248 V470 E471	R248-S454 PolarHBondContact NE-OG 2.75Å; R248-S454 PolarHBondContact NH2-OG 2.94Å; R248-S454 WeakPolarHBondContact O-CA 3.32Å; S454-V470 WeakPolarHBondContact O-CA 3.17Å; S454-E471 VanDerWaalsContact CB-OE2 3.28Å; S454-E471 WeakPolarHBondContact CB-OE2 3.46Å; S454-E471 PolarHBondContact N-O 3.45Å; S454-E471 PolarHBondContact O-N 2.9Å; S454-E471 PolarHBondContact OG-OE2 3.36Å
455	M	97.7	Very high	89.6	Confident	1 Å²	1	54 Å²	54	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.5	163	-175.7	-83	179.2	0	0	108.2	L221 V246 R248 I249 L250 M326 F355 T457 L557	L221-M455 HydrophobicContact CD1-CB 3.81Å; L221-M455 HydrophobicContact CD1-CG 3.69Å; V246-M455 HydrophobicContact CG1-CB 4.15Å; R248-M455 PolarHBondContact O-N 2.88Å; I249-M455 CarbonylContact C-O 3.56Å; I249-M455 WeakPolarHBondContact CA-O 3.25Å; I249-M455 HydrophobicContact CG1-CB 4.5Å; I249-M455 HydrophobicContact CG2-SD 4.19Å; L250-M455 PolarHBondContact N-O 2.75Å; M326-M455 HydrophobicContact CG-CE 4.24Å; M326-M455 HydrophobicContact SD-CE 3.46Å; M326-M455 WeakPolarHBondContact SD-CE 3.3Å; F355-M455 HydrophobicContact CD2-CB 4.45Å; F355-M455 HydrophobicContact CE2-CB 4.43Å; F355-M455 HydrophobicContact CE2-CG 4.15Å; F355-M455 HydrophobicContact CE2-SD 4.48Å; M455-T457 HydrophobicContact CE-CG2 3.4Å; M455-T457 HydrophobicContact SD-CG2 3.68Å; M455-L557 HydrophobicContact CE-CD2 3.82Å
456	V	97.9	Very high	89.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.6	-175.8	-168.2	0	0	0	0	110.7	L250 V444 M469	L250-V456 HydrophobicContact CB-CB 4.36Å; L250-V456 HydrophobicContact CB-CG1 4.07Å; L250-V456 HydrophobicContact CB-CG2 4Å; L250-V456 HydrophobicContact CD1-CG2 3.99Å; L250-V456 HydrophobicContact CG-CG2 4.29Å; L250-V456 WeakPolarHBondContact O-CA 3.19Å; V444-V456 HydrophobicContact CG2-CG2 4.46Å; V456-M469 HydrophobicContact CB-CB 4.19Å; V456-M469 HydrophobicContact CB-CE 3.77Å; V456-M469 HydrophobicContact CG1-CE 3.98Å; V456-M469 HydrophobicContact CG2-CE 3.63Å; V456-M469 PolarHBondContact N-O 2.88Å; V456-M469 PolarHBondContact O-N 2.91Å
457	T	97.1	Very high	89.9	Confident	8 Å²	8	49.7 Å²	49.7	5%	0.049	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.5	178.3	61.5	0	0	0	0	111.3	L250 T251 Y252 H322 S323 M326 M455	L250-T457 PolarHBondContact O-N 3.39Å; L250-T457 PolarHBondContact O-OG1 2.89Å; T251-T457 CarbonylContact C-O 3.55Å; T251-T457 WeakPolarHBondContact CA-O 3.37Å; T251-T457 WeakPolarHBondContact CB-OG1 3.43Å; T251-T457 PolarHBondContact OG1-O 3.23Å; T251-T457 PolarHBondContact OG1-OG1 2.95Å; Y252-T457 PolarHBondContact N-O 2.99Å; H322-T457 WeakPolarHBondContact O-CB 3.07Å; H322-T457 VanDerWaalsContact O-CG2 3.3Å; H322-T457 WeakPolarHBondContact O-CG2 3.37Å; S323-T457 PolarHBondContact OG-OG1 3.01Å; M326-T457 HydrophobicContact CG-CG2 4.5Å; M455-T457 HydrophobicContact CE-CG2 3.4Å; M455-T457 HydrophobicContact SD-CG2 3.68Å
458	V	95.9	Very high	90.4	Very high	15 Å²	15	49 Å²	49	9%	0.091	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	104.4	174.7	-172.1	0	0	0	0	107.8	Y252 A466 V467 L503 M507	Y252-V458 HydrophobicContact CD1-CG1 4.07Å; V458-A466 CarbonylContact O-C 3.48Å; V458-A466 WeakPolarHBondContact O-CA 3.42Å; V458-V467 HydrophobicContact CB-CB 4.07Å; V458-V467 HydrophobicContact CG2-CB 4.47Å; V458-V467 PolarHBondContact N-O 2.89Å; V458-V467 PolarHBondContact O-N 3.09Å; V458-L503 HydrophobicContact CB-CD2 4.3Å; V458-L503 HydrophobicContact CG1-CD1 3.88Å; V458-L503 HydrophobicContact CG1-CD2 4.09Å; V458-L503 HydrophobicContact CG2-CD1 4.46Å; V458-L503 HydrophobicContact CG2-CD2 4Å; V458-M507 HydrophobicContact CG2-SD 4.5Å
459	P	93.6	Very high	91	Very high	23 Å²	23	39 Å²	39	15%	0.149	26%	0.26	C	S	.	.			trans	-61.6	160.6	175.4	-21.9	34.4	0	0	0	112.1	Y252 H322	Y252-P459 WeakPolarHBondContact O-CD 3.44Å; H322-P459 HydrophobicContact CB-CG 4.03Å
460	P	90.6	Very high	91.5	Very high	62 Å²	62	37 Å²	37	40%	0.403	25%	0.247	S	C	.	.			trans	-67.9	137.3	177.9	30.5	-32.6	0	0	0	110.5	S464	P460-S464 WeakPolarHBondContact CA-O 3.38Å; P460-S464 VanDerWaalsContact CB-O 3.23Å; P460-S464 WeakPolarHBondContact CB-O 3.27Å
461	E	82.9	Confident	92.3	Very high	99 Å²	99	33.4 Å²	33.4	46%	0.463	23%	0.227	S	C	.	.			trans	-140.3	133.4	179.1	-171.9	-169.3	-135.9	0	0	109.8	G463 S464 R506	E461-G463 PolarHBondContact O-N 3.13Å; E461-S464 VanDerWaalsContact O-CB 3.29Å; E461-S464 WeakPolarHBondContact O-CB 3.3Å; E461-S464 PolarHBondContact O-N 3.38Å; E461-S464 PolarHBondContact O-OG 2.82Å; E461-R506 IonicContact OE1-NH1 2.65Å; E461-R506 IonicContact OE2-CZ 3.99Å; E461-R506 VanDerWaalsContact OE2-CZ 3.25Å; E461-R506 IonicContact OE2-NH1 2.66Å; E461-R506 PolarHBondContact OE2-NH1 3.27Å; E461-R506 IonicContact OE2-NH2 3.89Å; E461-R506 PolarHBondContact OE2-NH2 3.24Å
462	G	73.2	Confident	92.7	Very high	91 Å²	91	29.3 Å²	29.3	94%	0.938	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	14.8	173.1	0	0	0	0	0	116
463	G	74.8	Confident	92.9	Very high	75 Å²	75	27.5 Å²	27.5	77%	0.773	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.7	-3	-173.1	0	0	0	0	0	114.8	E461	E461-G463 PolarHBondContact O-N 3.13Å
464	S	83.3	Confident	92.8	Very high	51 Å²	51	28 Å²	28	36%	0.357	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-68.4	142.4	167.6	-59.5	0	0	0	0	110.8	P460 E461	P460-S464 WeakPolarHBondContact CA-O 3.38Å; P460-S464 VanDerWaalsContact CB-O 3.23Å; P460-S464 WeakPolarHBondContact CB-O 3.27Å; E461-S464 VanDerWaalsContact O-CB 3.29Å; E461-S464 WeakPolarHBondContact O-CB 3.3Å; E461-S464 PolarHBondContact O-N 3.38Å; E461-S464 PolarHBondContact O-OG 2.82Å
465	P	89.7	Confident	92.7	Very high	26 Å²	26	28.4 Å²	28.4	17%	0.169	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-68.1	157.2	176.3	30.4	-36	0	0	0	111.6	V467 C490 V493 D499	P465-V467 WeakPolarHBondContact O-CG2 3.43Å; P465-V467 PolarHBondContact O-N 3.42Å; P465-C490 HydrophobicContact CB-CB 4.14Å; P465-C490 HydrophobicContact CG-CB 3.99Å; P465-C490 VanDerWaalsContact CG-SG 3.54Å; P465-V493 HydrophobicContact CB-CG2 4.28Å; P465-V493 HydrophobicContact CG-CG2 4.28Å; P465-D499 HydrophobicContact CG-CB 4.48Å
466	A	93.8	Very high	92.7	Very high	58 Å²	58	28.4 Å²	28.4	48%	0.479	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-64.5	131	170.4	0	0	0	0	0	110.4	V458 C490	V458-A466 CarbonylContact O-C 3.48Å; V458-A466 WeakPolarHBondContact O-CA 3.42Å; A466-C490 WeakPolarHBondContact O-CB 3.45Å
467	V	96.4	Very high	92.7	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.8	-177.4	-166.9	0	0	0	0	110.4	V458 P465 L488 C490 L500 L503	V458-V467 HydrophobicContact CB-CB 4.07Å; V458-V467 HydrophobicContact CG2-CB 4.47Å; V458-V467 PolarHBondContact N-O 2.89Å; V458-V467 PolarHBondContact O-N 3.09Å; P465-V467 WeakPolarHBondContact O-CG2 3.43Å; P465-V467 PolarHBondContact O-N 3.42Å; V467-L488 HydrophobicContact CG1-CB 4.06Å; V467-L488 HydrophobicContact CG1-CD2 4.33Å; V467-C490 HydrophobicContact CB-CB 4.45Å; V467-C490 HydrophobicContact CG1-CB 4.49Å; V467-C490 HydrophobicContact CG2-CB 4.06Å; V467-L500 HydrophobicContact CB-CD2 4.46Å; V467-L500 HydrophobicContact CG1-CD2 3.65Å; V467-L500 HydrophobicContact CG2-CD2 3.88Å; V467-L503 HydrophobicContact CB-CD2 3.86Å; V467-L503 HydrophobicContact CG1-CD2 4.02Å; V467-L503 HydrophobicContact CG2-CD2 3.75Å
468	K	97.6	Very high	92.7	Very high	57 Å²	57	32.1 Å²	32.1	25%	0.248	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.6	166.1	-61.4	171.5	-174	173.3	0	107.5	T489 S555	K468-T489 PolarHBondContact N-O 3.19Å; K468-T489 PolarHBondContact O-N 2.81Å; K468-S555 PolarHBondContact NZ-O 3.27Å
469	M	98.1	Very high	92.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.2	174.9	177.7	177.1	81.8	0	0	110.4	V444 V456 V486 H487 L488 M507 F508	V444-M469 HydrophobicContact CB-CE 4.46Å; V444-M469 HydrophobicContact CG1-CE 3.97Å; V444-M469 HydrophobicContact CG2-CE 4.08Å; V456-M469 HydrophobicContact CB-CB 4.19Å; V456-M469 HydrophobicContact CB-CE 3.77Å; V456-M469 HydrophobicContact CG1-CE 3.98Å; V456-M469 HydrophobicContact CG2-CE 3.63Å; V456-M469 PolarHBondContact N-O 2.88Å; V456-M469 PolarHBondContact O-N 2.91Å; M469-V486 HydrophobicContact CE-CG1 4.49Å; M469-V486 HydrophobicContact CG-CG1 3.54Å; M469-V486 HydrophobicContact SD-CG1 3.46Å; M469-V486 WeakPolarHBondContact SD-CG1 3.43Å; M469-H487 CarbonylContact C-O 3.57Å; M469-H487 WeakPolarHBondContact CA-O 3.3Å; M469-H487 WeakPolarHBondContact CG-O 3.29Å; M469-L488 HydrophobicContact CB-CG 4.2Å; M469-L488 HydrophobicContact CG-CD1 4.41Å; M469-L488 HydrophobicContact CG-CG 3.96Å; M469-L488 HydrophobicContact SD-CD1 4.34Å; M469-L488 HydrophobicContact SD-CD2 4.28Å; M469-L488 HydrophobicContact SD-CG 4.09Å; M469-M507 HydrophobicContact CE-CE 3.61Å; M469-M507 HydrophobicContact CE-SD 4.46Å; M469-M507 HydrophobicContact SD-CE 4.41Å; M469-F508 HydrophobicContact SD-CE2 4.29Å; M469-F508 HydrophobicContact SD-CZ 4.11Å
470	V	98.6	Very high	92.9	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.1	175.3	-179.6	0	0	0	0	108.2	L221 S454 L472 V486 H487	L221-V470 HydrophobicContact CD1-CG2 4.39Å; L221-V470 HydrophobicContact CD2-CG1 4.13Å; L221-V470 HydrophobicContact CD2-CG2 4.45Å; L221-V470 HydrophobicContact CG-CG2 4.31Å; S454-V470 WeakPolarHBondContact O-CA 3.17Å; V470-L472 HydrophobicContact CG1-CD2 3.72Å; V470-L472 HydrophobicContact CG1-CG 4.19Å; V470-V486 WeakPolarHBondContact O-CA 3.23Å; V470-H487 PolarHBondContact N-O 2.77Å; V470-H487 PolarHBondContact O-N 3.23Å
471	E	98.5	Very high	93.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.9	175.9	173.5	-166.8	-111	0	0	109	R248 S443 V444 I453 S454 Y484 V486	R248-E471 IonicContact CZ-OE2 3.75Å; R248-E471 IonicContact NH2-OE1 3.02Å; R248-E471 IonicContact NH2-OE2 2.74Å; R248-E471 PolarHBondContact NH2-OE2 2.91Å; S443-E471 WeakPolarHBondContact CA-OE1 3.46Å; S443-E471 VanDerWaalsContact CB-OE1 3.22Å; S443-E471 WeakPolarHBondContact CB-OE1 3.47Å; S443-E471 PolarHBondContact OG-OE1 3.36Å; S443-E471 PolarHBondContact OG-OE2 2.91Å; V444-E471 PolarHBondContact N-OE1 2.88Å; I453-E471 WeakPolarHBondContact CA-O 3.33Å; S454-E471 VanDerWaalsContact CB-OE2 3.28Å; S454-E471 WeakPolarHBondContact CB-OE2 3.46Å; S454-E471 PolarHBondContact N-O 3.45Å; S454-E471 PolarHBondContact O-N 2.9Å; S454-E471 PolarHBondContact OG-OE2 3.36Å; E471-Y484 HydrophobicContact CG-CD1 4.04Å; E471-V486 HydrophobicContact CG-CG2 4.46Å
472	L	98.5	Very high	93.6	Very high	0 Å²	0	28 Å²	28	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.9	178.3	-54.5	176.3	0	0	0	109.7	F357 I453 V470 T478 Y484 L485	F357-L472 HydrophobicContact CD1-CD2 3.84Å; F357-L472 HydrophobicContact CD2-CD2 3.93Å; F357-L472 HydrophobicContact CE1-CD1 3.83Å; F357-L472 HydrophobicContact CE1-CD2 3.79Å; F357-L472 HydrophobicContact CE1-CG 4.43Å; F357-L472 HydrophobicContact CE2-CD1 3.97Å; F357-L472 HydrophobicContact CE2-CD2 3.87Å; F357-L472 HydrophobicContact CG-CD2 3.92Å; F357-L472 HydrophobicContact CZ-CD1 3.4Å; F357-L472 VanDerWaalsContact CZ-CD1 3.4Å; F357-L472 HydrophobicContact CZ-CD2 3.8Å; F357-L472 HydrophobicContact CZ-CG 4.26Å; I453-L472 HydrophobicContact CG2-CD2 4.05Å; V470-L472 HydrophobicContact CG1-CD2 3.72Å; V470-L472 HydrophobicContact CG1-CG 4.19Å; L472-T478 HydrophobicContact CD1-CG2 4.1Å; L472-Y484 WeakPolarHBondContact O-CA 3.48Å; L472-L485 HydrophobicContact CB-CB 4.32Å; L472-L485 WeakPolarHBondContact CB-O 3.22Å; L472-L485 HydrophobicContact CD1-CD2 4.35Å; L472-L485 PolarHBondContact N-O 2.99Å; L472-L485 PolarHBondContact O-N 3.44Å
473	S	97	Very high	94.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	17%	0.166	C	C	.	.			trans	-88.5	166.8	170.9	53.2	0	0	0	0	111.7	D450 Q451 Q452 S475 S476 C479	D450-S473 WeakPolarHBondContact O-CB 3.45Å; Q451-S473 PolarHBondContact O-OG 2.63Å; Q452-S473 WeakPolarHBondContact O-CB 3.28Å; Q452-S473 PolarHBondContact O-OG 3.31Å; S473-S475 PolarHBondContact O-N 2.78Å; S473-S475 PolarHBondContact OG-OG 3.41Å; S473-S476 WeakPolarHBondContact O-CB 3.36Å; S473-S476 PolarHBondContact O-N 3.2Å; S473-S476 PolarHBondContact O-OG 3.15Å; S473-C479 VanDerWaalsContact C-SG 3.58Å
474	P	96.5	Very high	95.8	Very high	12 Å²	12	21 Å²	21	8%	0.078	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-56.1	-20.5	175.6	-27.4	37.9	0	0	0	113.7	S476 M477 I480 T483	P474-S476 PolarHBondContact O-N 2.64Å; P474-S476 VanDerWaalsContact O-N 3.1Å; P474-M477 PolarHBondContact O-N 2.99Å; P474-I480 VanDerWaalsContact CG-O 3.32Å; P474-I480 WeakPolarHBondContact CG-O 3.15Å; P474-T483 WeakPolarHBondContact CD-O 3.38Å; P474-T483 VanDerWaalsContact CG-O 3.32Å; P474-T483 WeakPolarHBondContact CG-O 3.49Å
475	S	95.8	Very high	96.5	Very high	10 Å²	10	18.5 Å²	18.5	7%	0.07	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-55.1	-23.6	173	80.7	0	0	0	0	114.5	K244 Q451 S473	K244-S475 WeakPolarHBondContact CD-O 3.39Å; K244-S475 WeakPolarHBondContact CE-O 3.5Å; K244-S475 PolarHBondContact NZ-O 3.24Å; Q451-S475 PolarHBondContact O-OG 3.39Å; S473-S475 PolarHBondContact O-N 2.78Å; S473-S475 PolarHBondContact OG-OG 3.41Å
476	S	97.2	Very high	97	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-89.2	-6.2	178.7	66.7	0	0	0	0	114.1	V359 Y360 S473 P474 T478	V359-S476 WeakPolarHBondContact CA-O 3.11Å; Y360-S476 PolarHBondContact N-O 3.21Å; S473-S476 WeakPolarHBondContact O-CB 3.36Å; S473-S476 PolarHBondContact O-N 3.2Å; S473-S476 PolarHBondContact O-OG 3.15Å; P474-S476 PolarHBondContact O-N 2.64Å; P474-S476 VanDerWaalsContact O-N 3.1Å; S476-T478 PolarHBondContact O-N 3.5Å; S476-T478 PolarHBondContact OG-OG1 2.92Å
477	M	97.9	Very high	97.2	Very high	86 Å²	86	14.6 Å²	14.6	42%	0.424	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	26.9	-174.7	-49.3	-65	-76.3	0	0	114.3	N214 V359 Y360 P474	N214-M477 PolarHBondContact ND2-O 3.38Å; V359-M477 HydrophobicContact CG1-CB 3.83Å; V359-M477 HydrophobicContact CG1-CG 3.47Å; V359-M477 VanDerWaalsContact CG1-CG 3.47Å; Y360-M477 HydrophobicContact CD1-CB 3.43Å; Y360-M477 VanDerWaalsContact CD1-CB 3.43Å; Y360-M477 HydrophobicContact CD1-CG 4.32Å; Y360-M477 HydrophobicContact CE1-CB 3.42Å; Y360-M477 VanDerWaalsContact CE1-CB 3.42Å; Y360-M477 HydrophobicContact CE1-CE 3.97Å; Y360-M477 HydrophobicContact CE1-CG 3.88Å; Y360-M477 HydrophobicContact CG-CB 4.18Å; P474-M477 PolarHBondContact O-N 2.99Å
478	T	98	Very high	97.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-102	-7.7	175.9	60.6	0	0	0	0	114.1	Y213 N214 F357 L472 S476	Y213-T478 VanDerWaalsContact CA-O 3.24Å; Y213-T478 WeakPolarHBondContact CA-O 3.19Å; Y213-T478 WeakPolarHBondContact CD1-O 3.29Å; N214-T478 HydrophobicContact CB-CG2 4.41Å; N214-T478 PolarHBondContact N-O 3.06Å; N214-T478 VanDerWaalsContact O-CB 3.32Å; N214-T478 WeakPolarHBondContact O-CB 3.47Å; N214-T478 WeakPolarHBondContact O-CG2 3.25Å; F357-T478 HydrophobicContact CE1-CG2 3.79Å; F357-T478 HydrophobicContact CZ-CG2 4.14Å; L472-T478 HydrophobicContact CD1-CG2 4.1Å; S476-T478 PolarHBondContact O-N 3.5Å; S476-T478 PolarHBondContact OG-OG1 2.92Å
479	C	97.5	Very high	97.3	Very high	5 Å²	5	12.1 Å²	12.1	3%	0.034	8%	0.075	C	C	.	.	S	Bend	trans	-158.9	168.5	-178.2	58.7	0	0	0	0	112.5	Y213 S473 L485	Y213-C479 HydrophobicContact CD1-CB 3.8Å; Y213-C479 HydrophobicContact CE1-CB 3.56Å; S473-C479 VanDerWaalsContact C-SG 3.58Å; C479-L485 HydrophobicContact CB-CB 4.06Å
480	I	96	Very high	97.2	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.01	8%	0.077	C	C	.	.			trans	-86.2	151	-176.3	67.3	-177.3	0	0	0	113.2	E209 R212 Y213 P474 G482 T483	E209-I480 HydrophobicContact CB-CD1 4.29Å; E209-I480 HydrophobicContact CB-CG2 3.85Å; E209-I480 HydrophobicContact CG-CD1 4.46Å; R212-I480 HydrophobicContact CB-CG2 3.69Å; R212-I480 HydrophobicContact CG-CG2 4.47Å; Y213-I480 HydrophobicContact CD2-CG2 4.3Å; Y213-I480 HydrophobicContact CE2-CD1 4.29Å; Y213-I480 HydrophobicContact CE2-CG1 4.25Å; Y213-I480 HydrophobicContact CE2-CG2 3.82Å; Y213-I480 WeakPolarHBondContact OH-CG1 3.38Å; P474-I480 VanDerWaalsContact CG-O 3.32Å; P474-I480 WeakPolarHBondContact CG-O 3.15Å; I480-G482 PolarHBondContact O-N 3.42Å; I480-T483 HydrophobicContact CD1-CG2 4.22Å; I480-T483 HydrophobicContact CG1-CG2 3.77Å; I480-T483 WeakPolarHBondContact CG1-OG1 3.17Å; I480-T483 PolarHBondContact N-OG1 3.18Å; I480-T483 PolarHBondContact O-N 3.4Å; I480-T483 PolarHBondContact O-OG1 2.85Å
481	P	94.7	Very high	96.9	Very high	77 Å²	77	19.1 Å²	19.1	50%	0.5	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	134.1	168.6	-29.5	36.7	0	0	0	112.8	R212 T483	R212-P481 VanDerWaalsContact NH2-CD 3.32Å; P481-T483 VanDerWaalsContact C-N 3.31Å
482	G	92.8	Very high	96.7	Very high	29 Å²	29	21.1 Å²	21.1	30%	0.299	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	-4.9	-173.7	0	0	0	0	0	115.1	I480	I480-G482 PolarHBondContact O-N 3.42Å
483	T	96.2	Very high	96.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.			trans	-120.9	163.3	170.2	68.6	0	0	0	0	112.8	I201 Y213 I439 T440 P474 I480 P481 L523	I201-T483 HydrophobicContact CD1-CG2 3.4Å; Y213-T483 PolarHBondContact OH-OG1 2.95Å; I439-T483 HydrophobicContact CG2-CG2 4.06Å; T440-T483 CarbonylContact O-C 3.56Å; T440-T483 WeakPolarHBondContact O-CA 3.49Å; T440-T483 WeakPolarHBondContact O-CB 3.4Å; P474-T483 WeakPolarHBondContact CD-O 3.38Å; P474-T483 VanDerWaalsContact CG-O 3.32Å; P474-T483 WeakPolarHBondContact CG-O 3.49Å; I480-T483 HydrophobicContact CD1-CG2 4.22Å; I480-T483 HydrophobicContact CG1-CG2 3.77Å; I480-T483 WeakPolarHBondContact CG1-OG1 3.17Å; I480-T483 PolarHBondContact N-OG1 3.18Å; I480-T483 PolarHBondContact O-N 3.4Å; I480-T483 PolarHBondContact O-OG1 2.85Å; P481-T483 VanDerWaalsContact C-N 3.31Å; T483-L523 HydrophobicContact CG2-CD1 4.03Å
484	Y	98	Very high	96.1	Very high	18 Å²	18	27.6 Å²	27.6	7%	0.071	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.8	166.7	-65	-104	0	0	0	109	I439 T440 S442 D450 E471 L472	I439-Y484 WeakPolarHBondContact CA-O 3.48Å; T440-Y484 PolarHBondContact N-O 2.89Å; T440-Y484 PolarHBondContact O-N 3.41Å; S442-Y484 VanDerWaalsContact C-CD2 3.41Å; D450-Y484 VanDerWaalsContact CA-OH 3.26Å; D450-Y484 WeakPolarHBondContact CA-OH 3.33Å; D450-Y484 WeakPolarHBondContact CB-OH 3.45Å; D450-Y484 WeakPolarHBondContact O-CE1 3.47Å; D450-Y484 PolarHBondContact O-OH 2.84Å; D450-Y484 VanDerWaalsContact O-OH 3.07Å; E471-Y484 HydrophobicContact CG-CD1 4.04Å; L472-Y484 WeakPolarHBondContact O-CA 3.48Å
485	L	98.4	Very high	96	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.7	172.1	-174.1	68	0	0	0	108.2	I215 V437 I439 L472 C479 H487	I215-L485 HydrophobicContact CB-CD2 4.37Å; I215-L485 HydrophobicContact CG1-CD1 4.11Å; I215-L485 HydrophobicContact CG1-CD2 3.99Å; I215-L485 HydrophobicContact CG2-CD1 4.4Å; I215-L485 HydrophobicContact CG2-CD2 4.44Å; V437-L485 HydrophobicContact CG1-CD1 3.64Å; V437-L485 HydrophobicContact CG1-CG 4.47Å; I439-L485 HydrophobicContact CG1-CD1 4.15Å; L472-L485 HydrophobicContact CB-CB 4.32Å; L472-L485 WeakPolarHBondContact CB-O 3.22Å; L472-L485 HydrophobicContact CD1-CD2 4.35Å; L472-L485 PolarHBondContact N-O 2.99Å; L472-L485 PolarHBondContact O-N 3.44Å; C479-L485 HydrophobicContact CB-CB 4.06Å; L485-H487 WeakPolarHBondContact CD2-NE2 3.42Å
486	V	98.7	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.3	-174.7	-173.3	0	0	0	0	109.7	V437 L438 T440 M469 V470 E471 L488 F508	V437-V486 CarbonylContact C-O 3.49Å; V437-V486 WeakPolarHBondContact CA-O 3.47Å; L438-V486 HydrophobicContact CB-CB 4.22Å; L438-V486 HydrophobicContact CD1-CB 4.45Å; L438-V486 PolarHBondContact N-O 2.99Å; L438-V486 PolarHBondContact O-N 3.31Å; T440-V486 HydrophobicContact CG2-CG2 4.15Å; M469-V486 HydrophobicContact CE-CG1 4.49Å; M469-V486 HydrophobicContact CG-CG1 3.54Å; M469-V486 HydrophobicContact SD-CG1 3.46Å; M469-V486 WeakPolarHBondContact SD-CG1 3.43Å; V470-V486 WeakPolarHBondContact O-CA 3.23Å; E471-V486 HydrophobicContact CG-CG2 4.46Å; V486-L488 HydrophobicContact CG1-CD1 4.06Å; V486-F508 HydrophobicContact CG1-CZ 4.12Å
487	H	98.8	Very high	96.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.7	177.9	-67.2	-82.7	0	0	0	110.4	D216 S219 R435 A436 M469 V470 L485	D216-H487 PolarHBondContact O-CE1 2.95Å; S219-H487 WeakPolarHBondContact OG-CB 3.37Å; R435-H487 PolarHBondContact NH2-ND1 3.01Å; R435-H487 VanDerWaalsContact NH2-ND1 3.18Å; A436-H487 WeakPolarHBondContact O-CA 3.32Å; M469-H487 CarbonylContact C-O 3.57Å; M469-H487 WeakPolarHBondContact CA-O 3.3Å; M469-H487 WeakPolarHBondContact CG-O 3.29Å; V470-H487 PolarHBondContact N-O 2.77Å; V470-H487 PolarHBondContact O-N 3.23Å; L485-H487 WeakPolarHBondContact CD2-NE2 3.42Å
488	L	98.5	Very high	96	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.7	173.8	-62.3	85.4	0	0	0	110.2	R435 A436 L438 V467 M469 V486 L500 L503 V504	R435-L488 WeakPolarHBondContact CA-O 3.4Å; R435-L488 PolarHBondContact NH1-O 2.8Å; A436-L488 HydrophobicContact CB-CB 4.24Å; A436-L488 HydrophobicContact CB-CD1 4.34Å; A436-L488 PolarHBondContact N-O 2.89Å; A436-L488 PolarHBondContact O-N 3.29Å; L438-L488 HydrophobicContact CD1-CD1 3.77Å; L438-L488 HydrophobicContact CG-CD1 3.88Å; V467-L488 HydrophobicContact CG1-CB 4.06Å; V467-L488 HydrophobicContact CG1-CD2 4.33Å; M469-L488 HydrophobicContact CB-CG 4.2Å; M469-L488 HydrophobicContact CG-CD1 4.41Å; M469-L488 HydrophobicContact CG-CG 3.96Å; M469-L488 HydrophobicContact SD-CD1 4.34Å; M469-L488 HydrophobicContact SD-CD2 4.28Å; M469-L488 HydrophobicContact SD-CG 4.09Å; V486-L488 HydrophobicContact CG1-CD1 4.06Å; L488-L500 HydrophobicContact CB-CD1 4.19Å; L488-L500 HydrophobicContact CB-CD2 4.27Å; L488-L503 HydrophobicContact CD2-CD2 4.01Å; L488-V504 HydrophobicContact CD2-CG2 4.01Å
489	T	97.9	Very high	95.8	Very high	12 Å²	12	32.6 Å²	32.6	7%	0.074	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	130.1	179.4	-54.9	0	0	0	0	110.9	S434 R435 K468	S434-T489 WeakPolarHBondContact O-CA 3.46Å; R435-T489 VanDerWaalsContact CD-OG1 3.27Å; R435-T489 WeakPolarHBondContact CD-OG1 3.5Å; R435-T489 PolarHBondContact NH1-OG1 2.9Å; K468-T489 PolarHBondContact N-O 3.19Å; K468-T489 PolarHBondContact O-N 2.81Å
490	C	95.5	Very high	95.8	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.034	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	170.9	165	69.3	0	0	0	0	110.9	S434 P465 A466 V467 L500	S434-C490 VanDerWaalsContact CB-SG 3.59Å; S434-C490 PolarHBondContact N-O 3.06Å; S434-C490 PolarHBondContact O-N 2.9Å; P465-C490 HydrophobicContact CB-CB 4.14Å; P465-C490 HydrophobicContact CG-CB 3.99Å; P465-C490 VanDerWaalsContact CG-SG 3.54Å; A466-C490 WeakPolarHBondContact O-CB 3.45Å; V467-C490 HydrophobicContact CB-CB 4.45Å; V467-C490 HydrophobicContact CG1-CB 4.49Å; V467-C490 HydrophobicContact CG2-CB 4.06Å; C490-L500 HydrophobicContact CB-CD2 4.44Å
491	R	93.2	Very high	95.8	Very high	144 Å²	144	33.3 Å²	33.3	54%	0.543	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.3	165.6	-66.4	174.3	67.1	167.8	-1.8	108.1
492	S	93.4	Very high	95.7	Very high	41 Å²	41	33 Å²	33	29%	0.287	19%	0.186	S	C	.	.			trans	-68.5	137.8	-178	169.4	0	0	0	0	111.6	F432 S434 G494 D499	F432-S492 WeakPolarHBondContact O-CB 3.37Å; F432-S492 PolarHBondContact O-N 2.82Å; S434-S492 WeakPolarHBondContact OG-CA 3.08Å; S434-S492 WeakPolarHBondContact OG-CB 3.36Å; S492-G494 PolarHBondContact OG-O 2.92Å; S492-D499 WeakPolarHBondContact CA-OD2 3.5Å
493	V	91.3	Very high	95.8	Very high	111 Å²	111	32.3 Å²	32.3	67%	0.673	18%	0.175	S	C	*	.	S	Bend	trans	-117.9	-41.2	167.1	-176.5	0	0	0	0	109.7	P465 D499	P465-V493 HydrophobicContact CB-CG2 4.28Å; P465-V493 HydrophobicContact CG-CG2 4.28Å; V493-D499 PolarHBondContact N-OD2 3.16Å
494	G	91.3	Very high	95.8	Very high	26 Å²	26	32.6 Å²	32.6	27%	0.268	18%	0.178	S	C	.	.	S	Bend	trans	-128.5	-148.8	165.7	0	0	0	0	0	111.7	S492 D499	S492-G494 PolarHBondContact OG-O 2.92Å; G494-D499 PolarHBondContact N-OD1 3.29Å; G494-D499 PolarHBondContact N-OD2 3.04Å
495	S	95.3	Very high	95.5	Very high	17 Å²	17	36.3 Å²	36.3	12%	0.119	20%	0.202	C	C	.	.			trans	-65.9	149.9	170	64.7	0	0	0	0	111.1	H497 Q498 D499 N529	S495-H497 PolarHBondContact O-N 3.01Å; S495-H497 VanDerWaalsContact O-N 3.1Å; S495-Q498 WeakPolarHBondContact O-CA 3.49Å; S495-Q498 WeakPolarHBondContact O-CB 3.35Å; S495-Q498 PolarHBondContact O-N 2.83Å; S495-Q498 VanDerWaalsContact OG-CD 3.24Å; S495-Q498 VanDerWaalsContact OG-CG 3.31Å; S495-Q498 WeakPolarHBondContact OG-CG 3.23Å; S495-Q498 PolarHBondContact OG-OE1 3.31Å; S495-D499 PolarHBondContact O-N 2.92Å; S495-N529 VanDerWaalsContact CA-OD1 3.3Å; S495-N529 WeakPolarHBondContact CA-OD1 3.4Å
496	A	97.1	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.7	-30.4	-178.2	0	0	0	0	0	114.2	S434 R435 L500 F528 N529	S434-A496 WeakPolarHBondContact OG-CA 3.33Å; R435-A496 WeakPolarHBondContact O-CB 3.38Å; A496-L500 VanDerWaalsContact O-CB 3.3Å; A496-L500 WeakPolarHBondContact O-CB 3.38Å; A496-L500 PolarHBondContact O-N 2.91Å; A496-F528 VanDerWaalsContact CB-C 3.43Å; A496-F528 WeakPolarHBondContact CB-O 3.09Å; A496-N529 PolarHBondContact N-OD1 2.65Å
497	H	97	Very high	94.9	Very high	51 Å²	51	41.4 Å²	41.4	24%	0.236	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-42.9	171.1	-178.8	-103.1	0	0	0	112.1	F118 S495 S501 Y527	F118-H497 AromaticContact CE2-CD2 3.74Å; F118-H497 AromaticContact CZ-CD2 3.98Å; F118-H497 AromaticContact CZ-NE2 3.97Å; S495-H497 PolarHBondContact O-N 3.01Å; S495-H497 VanDerWaalsContact O-N 3.1Å; H497-S501 VanDerWaalsContact CD2-CB 3.48Å; H497-S501 WeakPolarHBondContact CD2-CB 3.28Å; H497-S501 VanDerWaalsContact NE2-CB 3.31Å; H497-S501 WeakPolarHBondContact NE2-CB 3.41Å; H497-S501 PolarHBondContact NE2-OG 3.16Å; H497-S501 WeakPolarHBondContact O-CB 3.25Å; H497-S501 PolarHBondContact O-N 3.44Å; H497-Y527 HydrophobicContact CB-CD1 4.32Å; H497-Y527 HydrophobicContact CB-CG 4.14Å; H497-Y527 AromaticContact CD2-CD2 3.95Å; H497-Y527 AromaticContact CD2-CE2 3.9Å
498	Q	95.4	Very high	94.7	Very high	128 Å²	128	41.4 Å²	41.4	60%	0.598	22%	0.222	S	C	*	.	H	α-helix	trans	-64.4	-40.4	176.3	-71.4	164.1	-50.7	0	0	112.2	S495 P502	S495-Q498 WeakPolarHBondContact O-CA 3.49Å; S495-Q498 WeakPolarHBondContact O-CB 3.35Å; S495-Q498 PolarHBondContact O-N 2.83Å; S495-Q498 VanDerWaalsContact OG-CD 3.24Å; S495-Q498 VanDerWaalsContact OG-CG 3.31Å; S495-Q498 WeakPolarHBondContact OG-CG 3.23Å; S495-Q498 PolarHBondContact OG-OE1 3.31Å; Q498-P502 VanDerWaalsContact O-CD 3.32Å; Q498-P502 WeakPolarHBondContact O-CD 3.3Å
499	D	95.3	Very high	94.4	Very high	17 Å²	17	43.7 Å²	43.7	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-72.5	-36.1	-177.6	-65.5	-14.7	0	0	0	112.6	S434 P465 S492 V493 G494 S495	S434-D499 WeakPolarHBondContact CB-OD2 3.08Å; S434-D499 PolarHBondContact OG-OD2 3.44Å; P465-D499 HydrophobicContact CG-CB 4.48Å; S492-D499 WeakPolarHBondContact CA-OD2 3.5Å; V493-D499 PolarHBondContact N-OD2 3.16Å; G494-D499 PolarHBondContact N-OD1 3.29Å; G494-D499 PolarHBondContact N-OD2 3.04Å; S495-D499 PolarHBondContact O-N 2.92Å
500	L	96.9	Very high	93.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-111.2	-31.4	-168.2	-60.7	173.3	0	0	0	115	R435 A436 V467 L488 C490 A496 P502 L503 V504 Y527	R435-L500 VanDerWaalsContact C-CD1 3.49Å; A436-L500 HydrophobicContact CB-CB 4.38Å; A436-L500 HydrophobicContact CB-CD1 3.64Å; V467-L500 HydrophobicContact CB-CD2 4.46Å; V467-L500 HydrophobicContact CG1-CD2 3.65Å; V467-L500 HydrophobicContact CG2-CD2 3.88Å; L488-L500 HydrophobicContact CB-CD1 4.19Å; L488-L500 HydrophobicContact CB-CD2 4.27Å; C490-L500 HydrophobicContact CB-CD2 4.44Å; A496-L500 VanDerWaalsContact O-CB 3.3Å; A496-L500 WeakPolarHBondContact O-CB 3.38Å; A496-L500 PolarHBondContact O-N 2.91Å; L500-P502 VanDerWaalsContact C-CD 3.42Å; L500-P502 VanDerWaalsContact C-N 3.35Å; L500-L503 WeakPolarHBondContact O-CB 3.26Å; L500-L503 PolarHBondContact O-N 3.27Å; L500-V504 PolarHBondContact O-N 2.81Å; L500-Y527 HydrophobicContact CB-CD1 4.25Å; L500-Y527 HydrophobicContact CB-CE1 4.06Å
501	S	95.3	Very high	92.5	Very high	22 Å²	22	47.6 Å²	47.6	15%	0.154	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-35.8	-178.8	-169.5	0	0	0	0	114.4	H497 L503 V504 T505	H497-S501 VanDerWaalsContact CD2-CB 3.48Å; H497-S501 WeakPolarHBondContact CD2-CB 3.28Å; H497-S501 VanDerWaalsContact NE2-CB 3.31Å; H497-S501 WeakPolarHBondContact NE2-CB 3.41Å; H497-S501 PolarHBondContact NE2-OG 3.16Å; H497-S501 WeakPolarHBondContact O-CB 3.25Å; H497-S501 PolarHBondContact O-N 3.44Å; S501-L503 VanDerWaalsContact C-N 3.25Å; S501-L503 PolarHBondContact O-N 3.48Å; S501-V504 PolarHBondContact O-N 2.95Å; S501-T505 WeakPolarHBondContact O-CB 3.42Å; S501-T505 PolarHBondContact O-N 3.41Å; S501-T505 PolarHBondContact O-OG1 2.99Å
502	P	93.9	Very high	91.2	Very high	71 Å²	71	49.3 Å²	49.3	46%	0.461	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-27.1	173.4	-23.6	35.5	0	0	0	114.3	Q498 L500	Q498-P502 VanDerWaalsContact O-CD 3.32Å; Q498-P502 WeakPolarHBondContact O-CD 3.3Å; L500-P502 VanDerWaalsContact C-CD 3.42Å; L500-P502 VanDerWaalsContact C-N 3.35Å
503	L	94.4	Very high	89.9	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-81.1	-43.8	173.6	178.6	64	0	0	0	110.8	Y252 V458 V467 L488 L500 S501 T505 R506 M507	Y252-L503 HydrophobicContact CD1-CD1 4.4Å; Y252-L503 HydrophobicContact CE1-CD1 4.36Å; V458-L503 HydrophobicContact CB-CD2 4.3Å; V458-L503 HydrophobicContact CG1-CD1 3.88Å; V458-L503 HydrophobicContact CG1-CD2 4.09Å; V458-L503 HydrophobicContact CG2-CD1 4.46Å; V458-L503 HydrophobicContact CG2-CD2 4Å; V467-L503 HydrophobicContact CB-CD2 3.86Å; V467-L503 HydrophobicContact CG1-CD2 4.02Å; V467-L503 HydrophobicContact CG2-CD2 3.75Å; L488-L503 HydrophobicContact CD2-CD2 4.01Å; L500-L503 WeakPolarHBondContact O-CB 3.26Å; L500-L503 PolarHBondContact O-N 3.27Å; S501-L503 VanDerWaalsContact C-N 3.25Å; S501-L503 PolarHBondContact O-N 3.48Å; L503-T505 PolarHBondContact O-N 3.32Å; L503-R506 WeakPolarHBondContact O-CA 3.18Å; L503-R506 WeakPolarHBondContact O-CB 3.35Å; L503-R506 PolarHBondContact O-N 2.72Å; L503-M507 HydrophobicContact CD1-CG 3.93Å; L503-M507 HydrophobicContact CD1-SD 3.58Å; L503-M507 VanDerWaalsContact CD1-SD 3.58Å; L503-M507 HydrophobicContact CD2-SD 4.38Å; L503-M507 HydrophobicContact CG-CG 4.41Å; L503-M507 HydrophobicContact CG-SD 3.88Å; L503-M507 PolarHBondContact O-N 2.89Å
504	V	95.3	Very high	88.5	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-46.6	178	176.4	0	0	0	0	110.9	L438 L488 L500 S501 R506 M507 F508 V522 Y527	L438-V504 HydrophobicContact CD1-CG1 3.93Å; L438-V504 HydrophobicContact CD1-CG2 4.06Å; L438-V504 HydrophobicContact CD2-CG1 4.15Å; L438-V504 HydrophobicContact CD2-CG2 4.22Å; L488-V504 HydrophobicContact CD2-CG2 4.01Å; L500-V504 PolarHBondContact O-N 2.81Å; S501-V504 PolarHBondContact O-N 2.95Å; V504-R506 PolarHBondContact O-N 2.93Å; V504-R506 VanDerWaalsContact O-N 3.09Å; V504-M507 PolarHBondContact O-N 3.45Å; V504-F508 HydrophobicContact CB-CD2 4.48Å; V504-F508 HydrophobicContact CG1-CB 4.49Å; V504-F508 HydrophobicContact CG1-CD2 4.02Å; V504-F508 WeakPolarHBondContact O-CB 3.46Å; V504-F508 WeakPolarHBondContact O-CD2 3.32Å; V504-F508 PolarHBondContact O-N 2.83Å; V504-V522 HydrophobicContact CG1-CG2 4.09Å; V504-Y527 HydrophobicContact CG2-CE1 4.4Å
505	T	92.8	Very high	86.9	Confident	96 Å²	96	59.6 Å²	59.6	59%	0.589	30%	0.302	S	S	*	.	H	α-helix	trans	-59.8	-22.3	175.6	-53.4	0	0	0	0	113.2	S501 L503 R519	S501-T505 WeakPolarHBondContact O-CB 3.42Å; S501-T505 PolarHBondContact O-N 3.41Å; S501-T505 PolarHBondContact O-OG1 2.99Å; L503-T505 PolarHBondContact O-N 3.32Å; T505-R519 PolarHBondContact O-NH1 2.76Å
506	R	91.8	Very high	85.4	Confident	97 Å²	97	67.6 Å²	67.6	37%	0.366	34%	0.338	S	S	.	.	H	α-helix	trans	-91.2	-40.6	-178.7	-157.7	-162	-62.3	-166.1	5.8	112.6	Y252 E461 L503 V504 R519	Y252-R506 WeakPolarHBondContact OH-CD 3.09Å; E461-R506 IonicContact OE1-NH1 2.65Å; E461-R506 IonicContact OE2-CZ 3.99Å; E461-R506 VanDerWaalsContact OE2-CZ 3.25Å; E461-R506 IonicContact OE2-NH1 2.66Å; E461-R506 PolarHBondContact OE2-NH1 3.27Å; E461-R506 IonicContact OE2-NH2 3.89Å; E461-R506 PolarHBondContact OE2-NH2 3.24Å; L503-R506 WeakPolarHBondContact O-CA 3.18Å; L503-R506 WeakPolarHBondContact O-CB 3.35Å; L503-R506 PolarHBondContact O-N 2.72Å; V504-R506 PolarHBondContact O-N 2.93Å; V504-R506 VanDerWaalsContact O-N 3.09Å; R506-R519 VanDerWaalsContact C-NH1 3.3Å; R506-R519 WeakPolarHBondContact O-CD 3.35Å; R506-R519 PolarHBondContact O-NH1 2.89Å
507	M	93.3	Very high	84.2	Confident	9 Å²	9	69.8 Å²	69.8	4%	0.044	35%	0.349	C	S	.	.	H	α-helix	trans	-86.8	-26.7	-178.7	-64	-177.2	76	0	0	113.6	Y252 I257 V458 M469 L503 V504	Y252-M507 HydrophobicContact CD2-CE 3.9Å; Y252-M507 HydrophobicContact CD2-CG 4.32Å; Y252-M507 HydrophobicContact CD2-SD 4.31Å; Y252-M507 HydrophobicContact CE2-CE 4.34Å; Y252-M507 HydrophobicContact CE2-CG 3.93Å; Y252-M507 HydrophobicContact CE2-SD 4.5Å; Y252-M507 HydrophobicContact CG-CE 4.39Å; Y252-M507 HydrophobicContact CG-SD 4.46Å; I257-M507 HydrophobicContact CD1-CE 3.65Å; I257-M507 HydrophobicContact CG1-CE 3.96Å; V458-M507 HydrophobicContact CG2-SD 4.5Å; M469-M507 HydrophobicContact CE-CE 3.61Å; M469-M507 HydrophobicContact CE-SD 4.46Å; M469-M507 HydrophobicContact SD-CE 4.41Å; L503-M507 HydrophobicContact CD1-CG 3.93Å; L503-M507 HydrophobicContact CD1-SD 3.58Å; L503-M507 VanDerWaalsContact CD1-SD 3.58Å; L503-M507 HydrophobicContact CD2-SD 4.38Å; L503-M507 HydrophobicContact CG-CG 4.41Å; L503-M507 HydrophobicContact CG-SD 3.88Å; L503-M507 PolarHBondContact O-N 2.89Å; V504-M507 PolarHBondContact O-N 3.45Å
508	F	94.3	Very high	83.5	Confident	2 Å²	2	79 Å²	79	1%	0.009	38%	0.382	C	S	.	.			trans	-124.5	169.3	-175.1	-54	-91.9	0	0	0	111.2	L438 T440 V444 M469 V486 V504 R519 P520 V522	L438-F508 HydrophobicContact CD1-CD2 3.95Å; L438-F508 HydrophobicContact CD1-CE1 4.39Å; L438-F508 HydrophobicContact CD1-CE2 3.7Å; L438-F508 HydrophobicContact CD1-CG 4.43Å; L438-F508 HydrophobicContact CD1-CZ 3.95Å; T440-F508 HydrophobicContact CG2-CD1 3.83Å; T440-F508 HydrophobicContact CG2-CE1 3.74Å; V444-F508 HydrophobicContact CG1-CE1 3.53Å; V444-F508 HydrophobicContact CG1-CZ 3.51Å; M469-F508 HydrophobicContact SD-CE2 4.29Å; M469-F508 HydrophobicContact SD-CZ 4.11Å; V486-F508 HydrophobicContact CG1-CZ 4.12Å; V504-F508 HydrophobicContact CB-CD2 4.48Å; V504-F508 HydrophobicContact CG1-CB 4.49Å; V504-F508 HydrophobicContact CG1-CD2 4.02Å; V504-F508 WeakPolarHBondContact O-CB 3.46Å; V504-F508 WeakPolarHBondContact O-CD2 3.32Å; V504-F508 PolarHBondContact O-N 2.83Å; F508-R519 VanDerWaalsContact O-CZ 3.32Å; F508-R519 PolarHBondContact O-NH1 3.43Å; F508-R519 VanDerWaalsContact O-NH1 3.08Å; F508-P520 HydrophobicContact CD1-CB 4Å; F508-P520 HydrophobicContact CD1-CG 4.32Å; F508-P520 HydrophobicContact CE1-CB 4.42Å; F508-P520 HydrophobicContact CE1-CG 4.48Å; F508-V522 HydrophobicContact CB-CG2 3.53Å; F508-V522 HydrophobicContact CD1-CG2 4.37Å; F508-V522 HydrophobicContact CG-CG2 3.99Å
509	R	90.8	Very high	83.3	Confident	49 Å²	49	76.8 Å²	76.8	19%	0.185	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	166.6	171.5	67.3	174.4	174.7	60.3	16.5	111.6	D441 D517 R519 P520 S521 V522	D441-R509 IonicContact OD2-NH2 3.37Å; R509-D517 PolarHBondContact NE-O 3.49Å; R509-R519 HydrophobicContact CG-CB 4.48Å; R509-R519 PolarHBondContact NE-O 2.88Å; R509-R519 VanDerWaalsContact NE-O 3.11Å; R509-P520 PolarHBondContact N-O 3.19Å; R509-S521 VanDerWaalsContact CZ-OG 3.23Å; R509-S521 PolarHBondContact NH1-OG 3.02Å; R509-S521 PolarHBondContact NH2-OG 3.23Å; R509-S521 CarbonylContact O-C 3.6Å; R509-S521 WeakPolarHBondContact O-CA 3.35Å; R509-V522 PolarHBondContact O-N 3.19Å
510	T	84.3	Confident	83.2	Confident	42 Å²	42	76.3 Å²	76.3	26%	0.258	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	164.5	167.3	58.9	0	0	0	0	110.7	Y120 E512 S513	Y120-T510 HydrophobicContact CD1-CG2 3.92Å; Y120-T510 HydrophobicContact CE1-CG2 4.07Å; T510-E512 PolarHBondContact O-N 2.87Å; T510-S513 PolarHBondContact N-OG 3.34Å; T510-S513 VanDerWaalsContact O-CB 3.28Å; T510-S513 WeakPolarHBondContact O-CB 3.5Å; T510-S513 PolarHBondContact O-N 2.74Å; T510-S513 PolarHBondContact O-OG 3.36Å; T510-S513 PolarHBondContact OG1-N 3.38Å; T510-S513 PolarHBondContact OG1-OG 2.96Å
511	T	69.4	Low	83	Confident	57 Å²	57	76.6 Å²	76.6	35%	0.35	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.1	166.9	49.6	0	0	0	0	113.3	Y120 S513 L523	Y120-T511 WeakPolarHBondContact O-CB 3.46Å; Y120-T511 WeakPolarHBondContact O-CG2 3.35Å; Y120-T511 PolarHBondContact O-OG1 2.93Å; T511-S513 VanDerWaalsContact C-N 3.31Å; T511-L523 HydrophobicContact CG2-CD2 4.27Å
512	E	66.6	Low	83.1	Confident	179 Å²	179	75.8 Å²	75.8	84%	0.836	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.4	177.9	-55.4	-177.5	141.3	0	0	113.9	T510	T510-E512 PolarHBondContact O-N 2.87Å
513	S	66.1	Low	83.2	Confident	41 Å²	41	72.9 Å²	72.9	29%	0.287	34%	0.343	S	S	.	.	S	Bend	trans	-74.5	151.9	-179.4	-62.8	0	0	0	0	111.9	T510 T511	T510-S513 PolarHBondContact N-OG 3.34Å; T510-S513 VanDerWaalsContact O-CB 3.28Å; T510-S513 WeakPolarHBondContact O-CB 3.5Å; T510-S513 PolarHBondContact O-N 2.74Å; T510-S513 PolarHBondContact O-OG 3.36Å; T510-S513 PolarHBondContact OG1-N 3.38Å; T510-S513 PolarHBondContact OG1-OG 2.96Å; T511-S513 VanDerWaalsContact C-N 3.31Å
514	Q	61.7	Low	83.4	Confident	166 Å²	166	72.3 Å²	72.3	78%	0.776	34%	0.34	S	S	*	.			trans	-60.9	141	-175.5	-66.8	-179.1	-19	0	0	113.1	E516 D517	Q514-E516 PolarHBondContact O-N 3.31Å; Q514-E516 VanDerWaalsContact O-N 3.09Å; Q514-D517 PolarHBondContact O-N 3.07Å
515	E	58.3	Low	83.5	Confident	187 Å²	187	72 Å²	72	87%	0.874	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.7	-169.1	-60.4	-172.3	141.5	0	0	115.3	D517	E515-D517 PolarHBondContact O-N 2.93Å
516	E	63.5	Low	83.8	Confident	186 Å²	186	67.5 Å²	67.5	87%	0.869	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.7	176.5	-62.1	-170.1	163.5	0	0	113.4	Q514	Q514-E516 PolarHBondContact O-N 3.31Å; Q514-E516 VanDerWaalsContact O-N 3.09Å
517	D	72.7	Confident	84.1	Confident	45 Å²	45	62.9 Å²	62.9	24%	0.241	29%	0.293	C	S	.	.			trans	-84	114.4	-178.1	-175	0.9	0	0	0	112.9	R509 Q514 E515 R519	R509-D517 PolarHBondContact NE-O 3.49Å; Q514-D517 PolarHBondContact O-N 3.07Å; E515-D517 PolarHBondContact O-N 2.93Å; D517-R519 VanDerWaalsContact C-N 3.28Å; D517-R519 PolarHBondContact O-N 3.01Å; D517-R519 WeakPolarHBondContact OD1-CB 3.24Å; D517-R519 VanDerWaalsContact OD1-CG 3.29Å; D517-R519 WeakPolarHBondContact OD1-CG 3.28Å; D517-R519 PolarHBondContact OD1-N 3.14Å; D517-R519 IonicContact OD1-NE 3.61Å; D517-R519 PolarHBondContact OD1-NE 3.38Å; D517-R519 IonicContact OD2-CZ 2.75Å; D517-R519 IonicContact OD2-NE 3.45Å; D517-R519 PolarHBondContact OD2-NE 2.88Å; D517-R519 IonicContact OD2-NH2 3.15Å; D517-R519 PolarHBondContact OD2-NH2 2.93Å
518	R	81.8	Confident	84.3	Confident	246 Å²	246	62.5 Å²	62.5	93%	0.928	29%	0.291	S	S	*	.			trans	-79	-0.2	-177.8	-61.8	-175.9	177.7	-165.1	-3.7	114.8
519	R	90.2	Very high	84.4	Confident	80 Å²	80	62.4 Å²	62.4	30%	0.302	29%	0.29	S	S	.	.	S	Bend	trans	-67.9	150.9	174.3	-67.2	179.2	-61.2	153.1	12.4	110.9	T505 R506 F508 R509 D517	T505-R519 PolarHBondContact O-NH1 2.76Å; R506-R519 VanDerWaalsContact C-NH1 3.3Å; R506-R519 WeakPolarHBondContact O-CD 3.35Å; R506-R519 PolarHBondContact O-NH1 2.89Å; F508-R519 VanDerWaalsContact O-CZ 3.32Å; F508-R519 PolarHBondContact O-NH1 3.43Å; F508-R519 VanDerWaalsContact O-NH1 3.08Å; R509-R519 HydrophobicContact CG-CB 4.48Å; R509-R519 PolarHBondContact NE-O 2.88Å; R509-R519 VanDerWaalsContact NE-O 3.11Å; D517-R519 VanDerWaalsContact C-N 3.28Å; D517-R519 PolarHBondContact O-N 3.01Å; D517-R519 WeakPolarHBondContact OD1-CB 3.24Å; D517-R519 VanDerWaalsContact OD1-CG 3.29Å; D517-R519 WeakPolarHBondContact OD1-CG 3.28Å; D517-R519 PolarHBondContact OD1-N 3.14Å; D517-R519 IonicContact OD1-NE 3.61Å; D517-R519 PolarHBondContact OD1-NE 3.38Å; D517-R519 IonicContact OD2-CZ 2.75Å; D517-R519 IonicContact OD2-NE 3.45Å; D517-R519 PolarHBondContact OD2-NE 2.88Å; D517-R519 IonicContact OD2-NH2 3.15Å; D517-R519 PolarHBondContact OD2-NH2 2.93Å
520	P	93.3	Very high	84.5	Confident	7 Å²	7	60.2 Å²	60.2	5%	0.045	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-63.3	146.6	176.4	-21.3	33.3	0	0	0	112.4	S442 S443 F508 R509	S442-P520 WeakPolarHBondContact O-CB 3.47Å; S442-P520 WeakPolarHBondContact OG-CA 3.41Å; S442-P520 VanDerWaalsContact OG-CB 3.25Å; S442-P520 WeakPolarHBondContact OG-CB 3.41Å; S443-P520 WeakPolarHBondContact O-CG 3.48Å; F508-P520 HydrophobicContact CD1-CB 4Å; F508-P520 HydrophobicContact CD1-CG 4.32Å; F508-P520 HydrophobicContact CE1-CB 4.42Å; F508-P520 HydrophobicContact CE1-CG 4.48Å; R509-P520 PolarHBondContact N-O 3.19Å
521	S	94.1	Very high	84.8	Confident	7 Å²	7	58.6 Å²	58.6	5%	0.049	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	131.9	171.3	-41.2	0	0	0	0	109.8	T440 D441 R509	T440-S521 WeakPolarHBondContact CA-O 3.46Å; T440-S521 WeakPolarHBondContact CB-O 3.49Å; D441-S521 PolarHBondContact N-O 3.02Å; D441-S521 VanDerWaalsContact N-O 3.1Å; D441-S521 PolarHBondContact OD1-N 3.31Å; D441-S521 WeakPolarHBondContact OD2-CB 3.34Å; D441-S521 PolarHBondContact OD2-OG 3.01Å; R509-S521 VanDerWaalsContact CZ-OG 3.23Å; R509-S521 PolarHBondContact NH1-OG 3.02Å; R509-S521 PolarHBondContact NH2-OG 3.23Å; R509-S521 CarbonylContact O-C 3.6Å; R509-S521 WeakPolarHBondContact O-CA 3.35Å
522	V	96.3	Very high	85.8	Confident	5 Å²	5	56 Å²	56	3%	0.03	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.4	158.2	-169.3	0	0	0	0	108	Y120 L438 V504 F508 R509 W524	Y120-V522 WeakPolarHBondContact CB-O 3.4Å; Y120-V522 HydrophobicContact CD2-CB 3.95Å; Y120-V522 HydrophobicContact CD2-CG1 3.74Å; Y120-V522 HydrophobicContact CE2-CB 4.04Å; Y120-V522 HydrophobicContact CE2-CG1 3.62Å; L438-V522 HydrophobicContact CB-CG1 4.31Å; L438-V522 HydrophobicContact CD2-CG1 4.46Å; V504-V522 HydrophobicContact CG1-CG2 4.09Å; F508-V522 HydrophobicContact CB-CG2 3.53Å; F508-V522 HydrophobicContact CD1-CG2 4.37Å; F508-V522 HydrophobicContact CG-CG2 3.99Å; R509-V522 PolarHBondContact O-N 3.19Å; V522-W524 WeakPolarHBondContact CG1-O 3.41Å
523	L	96.3	Very high	86.5	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.047	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-41.3	176.7	-56.7	-178.8	0	0	0	110.8	Y120 V121 I201 I439 D441 T483 T511	Y120-L523 PolarHBondContact N-O 3.28Å; V121-L523 HydrophobicContact CG1-CB 3.71Å; V121-L523 HydrophobicContact CG1-CD2 3.65Å; V121-L523 HydrophobicContact CG1-CG 4.19Å; V121-L523 PolarHBondContact N-O 2.77Å; I201-L523 HydrophobicContact CB-CD1 4.16Å; I201-L523 HydrophobicContact CD1-CD1 4.14Å; I201-L523 HydrophobicContact CG2-CD1 4.31Å; I439-L523 HydrophobicContact CG2-CB 4.49Å; I439-L523 HydrophobicContact CG2-CD1 4.33Å; I439-L523 WeakPolarHBondContact O-CB 3.35Å; I439-L523 PolarHBondContact O-N 2.94Å; D441-L523 HydrophobicContact CB-CD1 4.42Å; D441-L523 HydrophobicContact CB-CD2 4.3Å; T483-L523 HydrophobicContact CG2-CD1 4.03Å; T511-L523 HydrophobicContact CG2-CD2 4.27Å
524	W	97.9	Very high	86.8	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	149.4	178.6	-179.6	91.8	0	0	0	109.8	F69 L72 L73 I76 V117 F118 L206 L438 I439 V522 L526	F69-W524 AromaticContact CE2-CD2 3.79Å; F69-W524 HydrophobicContact CE2-CD2 3.79Å; F69-W524 AromaticContact CE2-CE2 3.75Å; F69-W524 HydrophobicContact CE2-CE3 4.14Å; F69-W524 HydrophobicContact CE2-CG 4.16Å; F69-W524 HydrophobicContact CE2-CH2 4.36Å; F69-W524 HydrophobicContact CE2-CZ2 4.05Å; F69-W524 HydrophobicContact CE2-CZ3 4.42Å; F69-W524 HydrophobicContact CZ-CD2 4.29Å; F69-W524 HydrophobicContact CZ-CG 4.25Å; F69-W524 AromaticContact CZ-NE1 3.98Å; L72-W524 HydrophobicContact CD2-CH2 3.7Å; L72-W524 HydrophobicContact CD2-CZ3 4.24Å; L73-W524 HydrophobicContact CD2-CZ2 4.47Å; I76-W524 HydrophobicContact CD1-CH2 4.31Å; I76-W524 HydrophobicContact CD1-CZ2 4.05Å; V117-W524 HydrophobicContact CG1-CZ2 3.75Å; F118-W524 CarbonylContact O-C 3.58Å; F118-W524 WeakPolarHBondContact O-CA 3.46Å; L206-W524 HydrophobicContact CD1-CB 4.31Å; L438-W524 WeakPolarHBondContact CA-O 3.36Å; I439-W524 HydrophobicContact CB-CB 4.41Å; I439-W524 HydrophobicContact CD1-CB 4.35Å; I439-W524 HydrophobicContact CD1-CE3 4.09Å; I439-W524 HydrophobicContact CG1-CE3 4.17Å; I439-W524 PolarHBondContact N-O 2.99Å; I439-W524 PolarHBondContact O-N 2.58Å; V522-W524 WeakPolarHBondContact CG1-O 3.41Å; W524-L526 HydrophobicContact CH2-CB 3.38Å; W524-L526 HydrophobicContact CH2-CD2 4.14Å; W524-L526 HydrophobicContact CH2-CG 4.35Å; W524-L526 HydrophobicContact CZ2-CB 4.1Å; W524-L526 HydrophobicContact CZ3-CB 3.68Å
525	S	98.2	Very high	86.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.6	173.5	63.8	0	0	0	0	114.2	V117 F118 V437 L438 Y527	V117-S525 WeakPolarHBondContact CA-O 3.37Å; F118-S525 PolarHBondContact N-O 3.22Å; F118-S525 PolarHBondContact O-N 3.25Å; V437-S525 CarbonylContact O-C 3.57Å; V437-S525 VanDerWaalsContact O-CA 3.23Å; V437-S525 WeakPolarHBondContact O-CA 3.32Å; L438-S525 VanDerWaalsContact CD2-CB 3.5Å; S525-Y527 WeakPolarHBondContact OG-CE2 3.14Å
526	L	98.6	Very high	86.6	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.8	173.5	159	69.2	0	0	0	108.7	L72 W75 I76 L115 Q116 V117 A436 V437 W524 F528	L72-L526 HydrophobicContact CD1-CD2 4.29Å; L72-L526 HydrophobicContact CD2-CD2 4.08Å; L72-L526 HydrophobicContact CG-CD2 4.42Å; W75-L526 HydrophobicContact CZ3-CD2 4.44Å; I76-L526 HydrophobicContact CD1-CD1 4.39Å; I76-L526 HydrophobicContact CD1-CD2 4.39Å; I76-L526 HydrophobicContact CG1-CD1 4.43Å; L115-L526 HydrophobicContact CD1-CD1 4.4Å; L115-L526 HydrophobicContact CD2-CD1 3.95Å; L115-L526 HydrophobicContact CG-CD1 3.84Å; Q116-L526 CarbonylContact O-C 3.51Å; Q116-L526 WeakPolarHBondContact O-CA 3.47Å; V117-L526 HydrophobicContact CG2-CD1 3.86Å; A436-L526 CarbonylContact C-O 3.55Å; A436-L526 VanDerWaalsContact CA-O 3.24Å; A436-L526 WeakPolarHBondContact CA-O 2.91Å; V437-L526 PolarHBondContact N-O 2.87Å; V437-L526 PolarHBondContact O-N 3.16Å; W524-L526 HydrophobicContact CH2-CB 3.38Å; W524-L526 HydrophobicContact CH2-CD2 4.14Å; W524-L526 HydrophobicContact CH2-CG 4.35Å; W524-L526 HydrophobicContact CZ2-CB 4.1Å; W524-L526 HydrophobicContact CZ3-CB 3.68Å; L526-F528 HydrophobicContact CD1-CD1 4.15Å; L526-F528 HydrophobicContact CD2-CD1 4.06Å; L526-F528 HydrophobicContact CD2-CE1 4.09Å; L526-F528 HydrophobicContact CG-CD1 3.89Å; L526-F528 HydrophobicContact CG-CE1 4.32Å
527	Y	98.5	Very high	86.1	Confident	1 Å²	1	30.4 Å²	30.4	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.2	171.7	-59.3	-99.9	0	0	0	109.1	L115 Q116 F118 R435 A436 H497 L500 V504 S525	L115-Y527 CarbonylContact C-O 3.52Å; L115-Y527 WeakPolarHBondContact CA-O 3.21Å; Q116-Y527 PolarHBondContact N-O 3.1Å; Q116-Y527 PolarHBondContact O-N 3.18Å; F118-Y527 AromaticContact CD2-CD2 3.91Å; F118-Y527 HydrophobicContact CD2-CD2 3.91Å; F118-Y527 AromaticContact CD2-CE2 3.8Å; F118-Y527 HydrophobicContact CD2-CE2 3.8Å; F118-Y527 AromaticContact CE2-CD2 3.73Å; F118-Y527 HydrophobicContact CE2-CD2 3.73Å; F118-Y527 AromaticContact CE2-CE2 3.87Å; F118-Y527 HydrophobicContact CE2-CE2 3.87Å; R435-Y527 WeakPolarHBondContact O-CA 3.42Å; A436-Y527 HydrophobicContact CB-CD1 3.55Å; A436-Y527 HydrophobicContact CB-CE1 3.69Å; A436-Y527 HydrophobicContact CB-CG 4.27Å; H497-Y527 HydrophobicContact CB-CD1 4.32Å; H497-Y527 HydrophobicContact CB-CG 4.14Å; H497-Y527 AromaticContact CD2-CD2 3.95Å; H497-Y527 AromaticContact CD2-CE2 3.9Å; L500-Y527 HydrophobicContact CB-CD1 4.25Å; L500-Y527 HydrophobicContact CB-CE1 4.06Å; V504-Y527 HydrophobicContact CG2-CE1 4.4Å; S525-Y527 WeakPolarHBondContact OG-CE2 3.14Å
528	F	97.5	Very high	85.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	157.4	174.4	64.8	-79.7	0	0	0	111.5	I112 L115 L217 R435 V437 A496 L526 M530	I112-F528 HydrophobicContact CD1-CD2 3.98Å; I112-F528 HydrophobicContact CD1-CE2 3.99Å; I112-F528 HydrophobicContact CG2-CB 4.4Å; I112-F528 HydrophobicContact CG2-CD2 4.13Å; L115-F528 HydrophobicContact CB-CB 4.46Å; L115-F528 HydrophobicContact CG-CB 4.45Å; L217-F528 HydrophobicContact CB-CZ 4.4Å; L217-F528 HydrophobicContact CD2-CZ 4.12Å; R435-F528 HydrophobicContact CB-CD1 4.09Å; R435-F528 HydrophobicContact CB-CD2 4.33Å; R435-F528 HydrophobicContact CB-CE1 3.77Å; R435-F528 HydrophobicContact CB-CE2 4.03Å; R435-F528 HydrophobicContact CB-CG 4.37Å; R435-F528 HydrophobicContact CB-CZ 3.74Å; R435-F528 WeakPolarHBondContact CB-O 3.29Å; R435-F528 HydrophobicContact CG-CE2 4.17Å; R435-F528 HydrophobicContact CG-CZ 4.09Å; R435-F528 PolarHBondContact N-O 3.3Å; R435-F528 PolarHBondContact O-N 3.16Å; V437-F528 HydrophobicContact CG2-CE1 4.41Å; A496-F528 VanDerWaalsContact CB-C 3.43Å; A496-F528 WeakPolarHBondContact CB-O 3.09Å; L526-F528 HydrophobicContact CD1-CD1 4.15Å; L526-F528 HydrophobicContact CD2-CD1 4.06Å; L526-F528 HydrophobicContact CD2-CE1 4.09Å; L526-F528 HydrophobicContact CG-CD1 3.89Å; L526-F528 HydrophobicContact CG-CE1 4.32Å; F528-M530 HydrophobicContact CD2-CB 4.46Å; F528-M530 HydrophobicContact CE2-CB 4.19Å; F528-M530 HydrophobicContact CE2-CE 4.03Å
529	N	95.8	Very high	83.7	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.4	169.7	-73.9	106.8	0	0	0	110.3	I112 T113 N114 F432 L433 S434 S495 A496	I112-N529 CarbonylContact C-O 3.56Å; I112-N529 WeakPolarHBondContact CA-O 3.37Å; T113-N529 PolarHBondContact N-O 3.33Å; T113-N529 PolarHBondContact O-N 3.46Å; T113-N529 WeakPolarHBondContact OG1-CB 3.37Å; N114-N529 WeakPolarHBondContact CB-OD1 3.36Å; N114-N529 PolarHBondContact ND2-OD1 3.47Å; F432-N529 HydrophobicContact CB-CB 4.27Å; F432-N529 HydrophobicContact CD1-CB 4.14Å; F432-N529 HydrophobicContact CG-CB 4.47Å; L433-N529 VanDerWaalsContact O-CA 3.26Å; L433-N529 WeakPolarHBondContact O-CA 3.47Å; L433-N529 PolarHBondContact O-ND2 3.24Å; S434-N529 PolarHBondContact OG-ND2 2.92Å; S495-N529 VanDerWaalsContact CA-OD1 3.3Å; S495-N529 WeakPolarHBondContact CA-OD1 3.4Å; A496-N529 PolarHBondContact N-OD1 2.65Å
530	M	93.8	Very high	81.8	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.4	174	-178.2	-173.3	-73.3	0	0	109.3	N63 S111 I112 L217 V218 F432 L433 F528 D532 P553	N63-M530 HydrophobicContact CB-CE 4.19Å; N63-M530 HydrophobicContact CB-SD 4.36Å; N63-M530 WeakPolarHBondContact O-CE 3.26Å; S111-M530 WeakPolarHBondContact O-CA 3.36Å; I112-M530 HydrophobicContact CD1-CB 4.09Å; I112-M530 HydrophobicContact CD1-CE 4.25Å; I112-M530 HydrophobicContact CD1-CG 4.01Å; L217-M530 HydrophobicContact CB-CE 3.76Å; V218-M530 HydrophobicContact CG2-CE 4.21Å; V218-M530 HydrophobicContact CG2-SD 4.44Å; F432-M530 CarbonylContact C-O 3.54Å; F432-M530 VanDerWaalsContact CA-O 3.27Å; F432-M530 WeakPolarHBondContact CA-O 3.07Å; L433-M530 PolarHBondContact N-O 3.48Å; L433-M530 PolarHBondContact O-N 2.84Å; F528-M530 HydrophobicContact CD2-CB 4.46Å; F528-M530 HydrophobicContact CE2-CB 4.19Å; F528-M530 HydrophobicContact CE2-CE 4.03Å; M530-D532 PolarHBondContact O-N 2.7Å; M530-P553 HydrophobicContact SD-CB 3.88Å; M530-P553 HydrophobicContact SD-CG 3.72Å
531	A	90.4	Very high	80.2	Confident	8 Å²	8	24.3 Å²	24.3	7%	0.066	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.4	175.1	0	0	0	0	0	111.4	S111 F432	S111-A531 PolarHBondContact O-N 3.41Å; F432-A531 HydrophobicContact CD1-CB 4.37Å; F432-A531 HydrophobicContact CE1-CB 4.09Å
532	D	89.9	Confident	78.9	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.016	18%	0.176	C	C	.	.			trans	-78.3	118.1	178.6	-179.2	-13.2	0	0	0	110	R431 L433 M530 T534 A535	R431-D532 HydrophobicContact CB-CB 4.01Å; R431-D532 WeakPolarHBondContact O-CB 3.43Å; R431-D532 PolarHBondContact O-N 3.37Å; L433-D532 HydrophobicContact CD2-CB 3.97Å; L433-D532 HydrophobicContact CG-CB 4.2Å; M530-D532 PolarHBondContact O-N 2.7Å; D532-T534 VanDerWaalsContact C-N 3.27Å; D532-T534 VanDerWaalsContact CG-OG1 3.31Å; D532-T534 PolarHBondContact O-N 3.46Å; D532-T534 WeakPolarHBondContact OD1-CB 3.34Å; D532-T534 PolarHBondContact OD1-N 2.82Å; D532-T534 PolarHBondContact OD1-OG1 2.85Å; D532-T534 PolarHBondContact OD2-OG1 3.05Å; D532-A535 HydrophobicContact CB-CB 4.49Å; D532-A535 PolarHBondContact O-N 2.86Å
533	G	81.2	Confident	78.4	Confident	3 Å²	3	31 Å²	31	3%	0.031	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-55.9	-39.7	-180	0	0	0	0	0	113.4	A535 S536 G552 P553	G533-A535 PolarHBondContact O-N 3.08Å; G533-A535 VanDerWaalsContact O-N 3.14Å; G533-S536 PolarHBondContact O-N 2.94Å; G533-S536 VanDerWaalsContact O-N 3.12Å; G533-G552 WeakPolarHBondContact CA-O 3.4Å; G533-P553 PolarHBondContact N-O 2.91Å
534	T	73.6	Confident	78.2	Confident	63 Å²	63	30.7 Å²	30.7	39%	0.387	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-65.9	-20	-175.2	67.9	0	0	0	0	113.6	D532 D554	D532-T534 VanDerWaalsContact C-N 3.27Å; D532-T534 VanDerWaalsContact CG-OG1 3.31Å; D532-T534 PolarHBondContact O-N 3.46Å; D532-T534 WeakPolarHBondContact OD1-CB 3.34Å; D532-T534 PolarHBondContact OD1-N 2.82Å; D532-T534 PolarHBondContact OD1-OG1 2.85Å; D532-T534 PolarHBondContact OD2-OG1 3.05Å; T534-D554 HydrophobicContact CG2-CB 3.62Å
535	A	58.2	Low	77.9	Confident	14 Å²	14	34.5 Å²	34.5	12%	0.116	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-83.6	-14.9	179.6	0	0	0	0	0	113.6	R431 D532 G533 Q537	R431-A535 HydrophobicContact CB-CB 3.66Å; R431-A535 HydrophobicContact CG-CB 3.66Å; D532-A535 HydrophobicContact CB-CB 4.49Å; D532-A535 PolarHBondContact O-N 2.86Å; G533-A535 PolarHBondContact O-N 3.08Å; G533-A535 VanDerWaalsContact O-N 3.14Å; A535-Q537 VanDerWaalsContact C-N 3.31Å; A535-Q537 PolarHBondContact O-N 3.29Å; A535-Q537 VanDerWaalsContact O-N 3.1Å
536	S	56.8	Low	77.7	Confident	6 Å²	6	34.6 Å²	34.6	4%	0.042	21%	0.209	C	C	.	.			trans	-88.7	47.9	-166.7	-60.4	0	0	0	0	113.9	R423 G533 V538	R423-S536 PolarHBondContact NH1-OG 3.15Å; G533-S536 PolarHBondContact O-N 2.94Å; G533-S536 VanDerWaalsContact O-N 3.12Å; S536-V538 WeakPolarHBondContact O-CG2 3.5Å; S536-V538 PolarHBondContact O-N 2.84Å; S536-V538 VanDerWaalsContact O-N 3.16Å
537	Q	54.3	Low	77.6	Confident	136 Å²	136	35.2 Å²	35.2	64%	0.636	21%	0.213	S	C	*	.			trans	-66.8	115.4	164.7	-70	-151.4	4.8	0	0	109.4	T428 A535 E539	T428-Q537 PolarHBondContact OG1-O 3.35Å; A535-Q537 VanDerWaalsContact C-N 3.31Å; A535-Q537 PolarHBondContact O-N 3.29Å; A535-Q537 VanDerWaalsContact O-N 3.1Å; Q537-E539 PolarHBondContact O-N 2.98Å
538	V	54.2	Low	77.4	Confident	33 Å²	33	36.7 Å²	36.7	20%	0.2	22%	0.22	C	C	.	.			trans	-79.7	58	-173.4	-168.6	0	0	0	0	111	T418 L421 V426 S536 G540	T418-V538 HydrophobicContact CG2-CG2 4.37Å; L421-V538 HydrophobicContact CD1-CG1 4.04Å; L421-V538 HydrophobicContact CD1-CG2 4.2Å; V426-V538 HydrophobicContact CG2-CG1 4.35Å; S536-V538 WeakPolarHBondContact O-CG2 3.5Å; S536-V538 PolarHBondContact O-N 2.84Å; S536-V538 VanDerWaalsContact O-N 3.16Å; V538-G540 PolarHBondContact O-N 2.82Å; V538-G540 VanDerWaalsContact O-N 3.14Å
539	E	49.8	Very low	77.1	Confident	128 Å²	128	38.1 Å²	38.1	60%	0.598	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	103.8	164.7	-67.1	-166.8	145	0	0	108.7	A427 Q537	A427-E539 VanDerWaalsContact CB-O 3.3Å; A427-E539 WeakPolarHBondContact CB-O 3.25Å; A427-E539 PolarHBondContact N-O 3.12Å; Q537-E539 PolarHBondContact O-N 2.98Å
540	G	50.2	Low	77	Confident	57 Å²	57	38 Å²	38	59%	0.588	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	156.7	-33.4	173	0	0	0	0	0	116.1	V538	V538-G540 PolarHBondContact O-N 2.82Å; V538-G540 VanDerWaalsContact O-N 3.14Å
541	Q	58	Low	76.7	Confident	32 Å²	32	40.6 Å²	40.6	15%	0.15	24%	0.239	C	C	.	.			trans	-107.9	124	178.1	-62	-164.6	30.5	0	0	110.9	D422 K425 L543	D422-Q541 PolarHBondContact O-NE2 3.33Å; D422-Q541 VanDerWaalsContact O-NE2 3.11Å; K425-Q541 HydrophobicContact CB-CG 4.13Å; Q541-L543 VanDerWaalsContact C-N 3.34Å; Q541-L543 PolarHBondContact O-N 2.84Å
542	P	67.2	Low	76.6	Confident	117 Å²	117	40.8 Å²	40.8	76%	0.76	24%	0.241	S	C	*	.			trans	-74.8	87.8	172.5	31.1	-32.9	0	0	0	109.5
543	L	85.8	Confident	76.7	Confident	35 Å²	35	40.7 Å²	40.7	18%	0.183	24%	0.241	C	C	.	.			trans	-74.8	146.8	176.2	-68.5	171.8	0	0	0	111.2	L421 Q541 I549	L421-L543 HydrophobicContact CD1-CD1 4.1Å; L421-L543 HydrophobicContact CD2-CD2 4.07Å; Q541-L543 VanDerWaalsContact C-N 3.34Å; Q541-L543 PolarHBondContact O-N 2.84Å; L543-I549 HydrophobicContact CD1-CD1 3.78Å; L543-I549 HydrophobicContact CD1-CG1 3.69Å
544	P	91.4	Very high	77.3	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.019	24%	0.242	C	C	.	.			trans	-62.5	150.6	176.8	-18.9	29.7	0	0	0	112.7	I102 V391 C398 N546 V547	I102-P544 HydrophobicContact CD1-CG 4.26Å; V391-P544 HydrophobicContact CB-CG 4.34Å; V391-P544 HydrophobicContact CG1-CB 4.35Å; V391-P544 HydrophobicContact CG1-CG 3.76Å; V391-P544 HydrophobicContact CG2-CG 3.56Å; C398-P544 HydrophobicContact CB-CB 4.36Å; C398-P544 HydrophobicContact CB-CG 4.31Å; P544-N546 PolarHBondContact O-N 2.8Å; P544-V547 HydrophobicContact CB-CG2 4Å; P544-V547 HydrophobicContact CG-CG2 3.98Å; P544-V547 WeakPolarHBondContact O-CB 3.39Å; P544-V547 PolarHBondContact O-N 2.96Å
545	S	91.6	Very high	78	Confident	81 Å²	81	39.8 Å²	39.8	57%	0.566	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.2	-173	55.5	0	0	0	0	116.3	N396 R397	N396-S545 PolarHBondContact O-N 3Å; N396-S545 PolarHBondContact O-OG 3.02Å; R397-S545 WeakPolarHBondContact CG-OG 3.4Å
546	N	95.6	Very high	79.6	Confident	3 Å²	3	41 Å²	41	2%	0.016	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	16	178.2	65.7	-35.8	0	0	0	113.8	R397 C398 S412 I414 P544	R397-N546 WeakPolarHBondContact CA-OD1 3.49Å; R397-N546 HydrophobicContact CG-CB 4.46Å; R397-N546 PolarHBondContact NE-ND2 3.17Å; R397-N546 PolarHBondContact NH2-ND2 3.39Å; C398-N546 PolarHBondContact N-OD1 3.35Å; C398-N546 PolarHBondContact O-ND2 3.21Å; S412-N546 PolarHBondContact O-ND2 3.38Å; I414-N546 PolarHBondContact N-O 2.69Å; P544-N546 PolarHBondContact O-N 2.8Å
547	V	95.3	Very high	81.3	Confident	14 Å²	14	41.2 Å²	41.2	9%	0.085	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.9	175.3	178.9	0	0	0	0	109.6	L389 C398 I414 M416 P544 I549	L389-V547 HydrophobicContact CD1-CG2 4.39Å; C398-V547 HydrophobicContact CB-CG2 3.88Å; I414-V547 HydrophobicContact CB-CG2 4.32Å; I414-V547 WeakPolarHBondContact O-CA 3.26Å; M416-V547 HydrophobicContact CE-CG1 3.82Å; P544-V547 HydrophobicContact CB-CG2 4Å; P544-V547 HydrophobicContact CG-CG2 3.98Å; P544-V547 WeakPolarHBondContact O-CB 3.39Å; P544-V547 PolarHBondContact O-N 2.96Å; V547-I549 HydrophobicContact CG1-CD1 4.39Å
548	H	95	Very high	83.3	Confident	32 Å²	32	34.9 Å²	34.9	15%	0.148	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.8	-175.6	-53.5	-82.1	0	0	0	110.8	H413 I414 V415 M416 I569 S572 I573	H413-H548 AromaticContact CE1-NE2 3.45Å; H413-H548 PolarHBondContact CE1-NE2 3.05Å; H413-H548 AromaticContact CG-NE2 3.48Å; H413-H548 AromaticContact ND1-NE2 2.65Å; H413-H548 PolarHBondContact ND1-NE2 2.9Å; I414-H548 PolarHBondContact O-CD2 3.24Å; I414-H548 PolarHBondContact O-N 2.85Å; V415-H548 CarbonylContact C-O 3.42Å; V415-H548 WeakPolarHBondContact CA-O 3.23Å; V415-H548 HydrophobicContact CG2-CB 4.31Å; M416-H548 PolarHBondContact N-O 2.95Å; H548-I569 HydrophobicContact CB-CD1 4.42Å; H548-I569 HydrophobicContact CB-CG1 4.31Å; H548-I569 HydrophobicContact CB-CG2 3.86Å; H548-S572 WeakPolarHBondContact CE1-CB 3.31Å; H548-S572 PolarHBondContact CE1-OG 3.26Å; H548-S572 PolarHBondContact ND1-OG 3.38Å; H548-I573 WeakPolarHBondContact NE2-CG1 3.41Å
549	I	92.1	Very high	85.2	Confident	29 Å²	29	33.4 Å²	33.4	15%	0.149	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.9	-178.6	-57.6	-53.8	0	0	0	110.7	M416 T418 L421 L543 V547 Q565	M416-I549 HydrophobicContact CG-CD1 3.45Å; M416-I549 VanDerWaalsContact CG-CD1 3.45Å; M416-I549 WeakPolarHBondContact O-CA 3.28Å; M416-I549 HydrophobicContact SD-CD1 4.02Å; T418-I549 VanDerWaalsContact OG1-CG2 3.29Å; T418-I549 WeakPolarHBondContact OG1-CG2 3.43Å; L421-I549 HydrophobicContact CD1-CD1 3.8Å; L421-I549 HydrophobicContact CD1-CG1 4.25Å; L421-I549 HydrophobicContact CG-CD1 4.38Å; L543-I549 HydrophobicContact CD1-CD1 3.78Å; L543-I549 HydrophobicContact CD1-CG1 3.69Å; V547-I549 HydrophobicContact CG1-CD1 4.39Å; I549-Q565 PolarHBondContact O-NE2 2.96Å
550	C	92.1	Very high	87.3	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	144.7	167.1	-68	0	0	0	0	110.4	T36 E37 V415 M416 T418 I569	T36-C550 HydrophobicContact CG2-CB 4.04Å; T36-C550 WeakPolarHBondContact CG2-SG 3.44Å; E37-C550 HydrophobicContact CG-CB 3.8Å; E37-C550 WeakPolarHBondContact OE1-CB 3.46Å; V415-C550 WeakPolarHBondContact CG1-SG 3.36Å; M416-C550 PolarHBondContact O-N 2.76Å; T418-C550 PolarHBondContact N-O 3.15Å; T418-C550 PolarHBondContact OG1-O 3.43Å; C550-I569 VanDerWaalsContact SG-CD1 3.54Å
551	H	88.1	Confident	89.4	Confident	56 Å²	56	31.4 Å²	31.4	26%	0.259	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-98.8	147.7	176.5	-56	133	0	0	0	110.9	Q565	H551-Q565 PolarHBondContact CE1-NE2 3.1Å; H551-Q565 VanDerWaalsContact N-OE1 3.08Å; H551-Q565 PolarHBondContact ND1-NE2 2.84Å
552	G	88.7	Confident	91.1	Very high	11 Å²	11	30 Å²	30	11%	0.113	18%	0.181	C	C	.	.			trans	-67.6	-174.6	169.4	0	0	0	0	0	113.7	G533	G533-G552 WeakPolarHBondContact CA-O 3.4Å
553	P	92.4	Very high	92.6	Very high	1 Å²	1	25 Å²	25	1%	0.006	15%	0.147	C	C	.	.			trans	-59.1	146.8	-177.9	-23.3	33.6	0	0	0	114.5	N63 W64 V218 M530 G533	N63-P553 HydrophobicContact CB-CG 4.22Å; W64-P553 HydrophobicContact CD2-CG 3.98Å; W64-P553 HydrophobicContact CG-CG 4.18Å; W64-P553 HydrophobicContact CZ2-CB 4.24Å; W64-P553 HydrophobicContact CZ2-CG 4.21Å; V218-P553 HydrophobicContact CG1-CB 4.39Å; V218-P553 HydrophobicContact CG2-CB 3.62Å; V218-P553 HydrophobicContact CG2-CG 3.4Å; V218-P553 VanDerWaalsContact CG2-CG 3.4Å; M530-P553 HydrophobicContact SD-CB 3.88Å; M530-P553 HydrophobicContact SD-CG 3.72Å; G533-P553 PolarHBondContact N-O 2.91Å
554	D	92	Very high	93	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.064	17%	0.168	C	C	.	.			trans	-111	174.3	-177.8	67.3	-74.7	0	0	0	113	K220 T534 A556	K220-D554 WeakPolarHBondContact CE-OD1 3.32Å; K220-D554 PolarHBondContact NZ-O 2.69Å; K220-D554 IonicContact NZ-OD1 3.39Å; K220-D554 PolarHBondContact NZ-OD1 2.82Å; K220-D554 IonicContact NZ-OD2 2.82Å; K220-D554 PolarHBondContact NZ-OD2 3.21Å; T534-D554 HydrophobicContact CG2-CB 3.62Å; D554-A556 WeakPolarHBondContact OD2-CA 3.26Å; D554-A556 WeakPolarHBondContact OD2-CB 3.49Å; D554-A556 PolarHBondContact OD2-N 3.02Å
555	S	89.9	Confident	93.2	Very high	35 Å²	35	31 Å²	31	25%	0.245	17%	0.174	C	C	.	.	S	Bend	trans	-83.6	-6.4	-178.2	75.5	0	0	0	0	116.3	K468	K468-S555 PolarHBondContact NZ-O 3.27Å
556	A	91.6	Very high	93.5	Very high	41 Å²	41	27.1 Å²	27.1	34%	0.339	15%	0.147	S	C	.	.	S	Bend	trans	-68.9	160.4	177.2	0	0	0	0	0	111.2	K220 D554	K220-A556 PolarHBondContact NZ-O 1.82Å; D554-A556 WeakPolarHBondContact OD2-CA 3.26Å; D554-A556 WeakPolarHBondContact OD2-CB 3.49Å; D554-A556 PolarHBondContact OD2-N 3.02Å
557	L	93.1	Very high	93.6	Very high	10 Å²	10	28 Å²	28	5%	0.052	16%	0.156	C	C	.	.	S	Bend	trans	-79.9	-34.1	178.9	-176.6	62.8	0	0	0	112.5	K220 L221 M326 F355 M455	K220-L557 CarbonylContact C-O 3.49Å; K220-L557 VanDerWaalsContact CA-O 3.29Å; K220-L557 WeakPolarHBondContact CA-O 3.47Å; K220-L557 VanDerWaalsContact CB-O 3.25Å; K220-L557 WeakPolarHBondContact CB-O 3.38Å; L221-L557 HydrophobicContact CB-CD1 4.23Å; L221-L557 HydrophobicContact CB-CG 4.26Å; L221-L557 HydrophobicContact CD1-CD1 4.1Å; L221-L557 HydrophobicContact CD1-CD2 4.39Å; L221-L557 HydrophobicContact CG-CD1 4.06Å; L221-L557 PolarHBondContact N-O 3.13Å; M326-L557 HydrophobicContact CE-CD2 4.12Å; M326-L557 HydrophobicContact SD-CD2 3.53Å; M326-L557 VanDerWaalsContact SD-CD2 3.53Å; F355-L557 HydrophobicContact CD1-CD2 4.43Å; F355-L557 HydrophobicContact CE1-CD2 3.53Å; F355-L557 HydrophobicContact CE1-CG 4.4Å; F355-L557 HydrophobicContact CE2-CD2 4.3Å; F355-L557 HydrophobicContact CZ-CD2 3.46Å; F355-L557 VanDerWaalsContact CZ-CD2 3.46Å; M455-L557 HydrophobicContact CE-CD2 3.82Å
558	G	94.4	Very high	93.7	Very high	2 Å²	2	31 Å²	31	2%	0.021	18%	0.177	C	C	.	.	S	Bend	trans	-90.4	-156.8	178.7	0	0	0	0	0	113.2	K220 L221 E560	K220-G558 VanDerWaalsContact CD-O 3.31Å; K220-G558 WeakPolarHBondContact CD-O 3.45Å; K220-G558 PolarHBondContact NZ-O 2.95Å; L221-G558 WeakPolarHBondContact O-CA 3.35Å; G558-E560 VanDerWaalsContact C-OE2 3.24Å; G558-E560 WeakPolarHBondContact CA-OE2 3.48Å
559	H	95.8	Very high	93.8	Very high	3 Å²	3	30 Å²	30	1%	0.014	17%	0.173	C	C	.	.	S	Bend	trans	-129.8	15.5	-170.3	-61.6	81.4	0	0	0	112.4	L35 W64 K220 L221 L228 D561 A562 V563	L35-H559 HydrophobicContact CD2-CB 4.35Å; W64-H559 AromaticContact CZ3-CD2 3.7Å; K220-H559 VanDerWaalsContact CB-CE1 3.49Å; K220-H559 WeakPolarHBondContact CB-CE1 3.39Å; L221-H559 PolarHBondContact O-CE1 2.99Å; L221-H559 PolarHBondContact O-ND1 2.79Å; L228-H559 HydrophobicContact CB-CB 3.94Å; L228-H559 HydrophobicContact CD2-CB 3.58Å; L228-H559 VanDerWaalsContact CD2-CG 3.41Å; L228-H559 HydrophobicContact CG-CB 4.37Å; H559-D561 PolarHBondContact O-N 3.29Å; H559-A562 PolarHBondContact O-N 2.97Å; H559-V563 PolarHBondContact O-N 2.81Å
560	E	93.8	Very high	94.1	Very high	55 Å²	55	28.7 Å²	28.7	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-63	-44.8	-167.5	-70.7	60.6	-132.1	0	0	111.9	G558 A562 V563 Q564	G558-E560 VanDerWaalsContact C-OE2 3.24Å; G558-E560 WeakPolarHBondContact CA-OE2 3.48Å; E560-A562 PolarHBondContact O-N 3.06Å; E560-V563 PolarHBondContact O-N 2.59Å; E560-Q564 VanDerWaalsContact O-CB 3.27Å; E560-Q564 WeakPolarHBondContact O-CB 3.42Å; E560-Q564 PolarHBondContact O-N 3.13Å
561	D	92.8	Very high	94.4	Very high	87 Å²	87	33.3 Å²	33.3	47%	0.465	19%	0.187	S	C	.	.	H	α-helix	trans	-59.9	-44.4	179.1	-71.7	-0.3	0	0	0	112.6	H559 Q564 Q565	H559-D561 PolarHBondContact O-N 3.29Å; D561-Q564 PolarHBondContact O-N 2.81Å; D561-Q565 VanDerWaalsContact O-CB 3.27Å; D561-Q565 WeakPolarHBondContact O-CB 3.27Å; D561-Q565 PolarHBondContact O-N 3.36Å
562	A	95.3	Very high	94.8	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-42.2	-179.8	0	0	0	0	0	111.9	L35 W64 H559 E560 A566	L35-A562 HydrophobicContact CD2-CB 3.99Å; L35-A562 HydrophobicContact CG-CB 4.3Å; W64-A562 HydrophobicContact CH2-CB 4.2Å; W64-A562 HydrophobicContact CZ2-CB 4.14Å; H559-A562 PolarHBondContact O-N 2.97Å; E560-A562 PolarHBondContact O-N 3.06Å; A562-A566 WeakPolarHBondContact O-CB 3.37Å; A562-A566 PolarHBondContact O-N 3.39Å
563	V	97.1	Very high	95.2	Very high	10 Å²	10	33.7 Å²	33.7	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-68.2	-40.7	176.2	174.4	0	0	0	0	111.2	L228 L231 H559 E560 A566 A567	L228-V563 HydrophobicContact CB-CG2 3.93Å; L228-V563 HydrophobicContact CD1-CG2 4.16Å; L231-V563 HydrophobicContact CD2-CG1 4.02Å; L231-V563 HydrophobicContact CD2-CG2 4.32Å; H559-V563 PolarHBondContact O-N 2.81Å; E560-V563 PolarHBondContact O-N 2.59Å; V563-A566 PolarHBondContact O-N 3.19Å; V563-A567 WeakPolarHBondContact O-CB 3.46Å; V563-A567 PolarHBondContact O-N 3.3Å
564	Q	95.9	Very high	95.4	Very high	132 Å²	132	34.9 Å²	34.9	62%	0.617	20%	0.2	S	C	*	.	H	α-helix	trans	-68.5	-37.4	178	-174.5	58.8	43.4	0	0	112	E560 D561 S568	E560-Q564 VanDerWaalsContact O-CB 3.27Å; E560-Q564 WeakPolarHBondContact O-CB 3.42Å; E560-Q564 PolarHBondContact O-N 3.13Å; D561-Q564 PolarHBondContact O-N 2.81Å; Q564-S568 VanDerWaalsContact O-CB 3.31Å; Q564-S568 WeakPolarHBondContact O-CB 3.4Å; Q564-S568 PolarHBondContact O-N 3.21Å
565	Q	95.3	Very high	95.6	Very high	32 Å²	32	37.9 Å²	37.9	15%	0.15	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-46.7	172.3	-176.7	171.7	31.5	0	0	110.8	T36 I549 H551 D561 A567 S568 I569	T36-Q565 HydrophobicContact CG2-CB 3.89Å; T36-Q565 HydrophobicContact CG2-CG 3.69Å; I549-Q565 PolarHBondContact O-NE2 2.96Å; H551-Q565 PolarHBondContact CE1-NE2 3.1Å; H551-Q565 VanDerWaalsContact N-OE1 3.08Å; H551-Q565 PolarHBondContact ND1-NE2 2.84Å; D561-Q565 VanDerWaalsContact O-CB 3.27Å; D561-Q565 WeakPolarHBondContact O-CB 3.27Å; D561-Q565 PolarHBondContact O-N 3.36Å; Q565-A567 PolarHBondContact O-N 3.04Å; Q565-S568 PolarHBondContact O-N 3.07Å; Q565-I569 HydrophobicContact CG-CD1 3.79Å; Q565-I569 HydrophobicContact CG-CG1 4.4Å; Q565-I569 WeakPolarHBondContact O-CG1 3.44Å; Q565-I569 PolarHBondContact O-N 2.99Å
566	A	98	Very high	95.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-42	178.7	0	0	0	0	0	112.4	T36 V39 V40 A562 V563 I569 F570 F579	T36-A566 HydrophobicContact CG2-CB 4.02Å; V39-A566 HydrophobicContact CB-CB 3.83Å; V39-A566 HydrophobicContact CG1-CB 3.55Å; V40-A566 HydrophobicContact CG2-CB 3.77Å; A562-A566 WeakPolarHBondContact O-CB 3.37Å; A562-A566 PolarHBondContact O-N 3.39Å; V563-A566 PolarHBondContact O-N 3.19Å; A566-I569 PolarHBondContact O-N 3.31Å; A566-F570 WeakPolarHBondContact O-CB 3.5Å; A566-F570 PolarHBondContact O-N 3.06Å; A566-F579 HydrophobicContact CB-CZ 4.31Å
567	A	97.8	Very high	96	Very high	23 Å²	23	47.4 Å²	47.4	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-41.7	174	0	0	0	0	0	112.2	V563 Q565 F570 Q571 F579	V563-A567 WeakPolarHBondContact O-CB 3.46Å; V563-A567 PolarHBondContact O-N 3.3Å; Q565-A567 PolarHBondContact O-N 3.04Å; A567-F570 PolarHBondContact O-N 3Å; A567-Q571 VanDerWaalsContact O-CB 3.29Å; A567-Q571 WeakPolarHBondContact O-CB 3.13Å; A567-Q571 PolarHBondContact O-N 3.23Å; A567-F579 HydrophobicContact CB-CD1 3.97Å; A567-F579 HydrophobicContact CB-CD2 4.42Å; A567-F579 HydrophobicContact CB-CE1 3.79Å; A567-F579 HydrophobicContact CB-CE2 4.26Å; A567-F579 HydrophobicContact CB-CG 4.27Å; A567-F579 HydrophobicContact CB-CZ 3.93Å
568	S	97.1	Very high	96.1	Very high	76 Å²	76	51.7 Å²	51.7	53%	0.531	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-41.9	177.6	-168.6	0	0	0	0	112.7	Q564 Q565 Q571 S572	Q564-S568 VanDerWaalsContact O-CB 3.31Å; Q564-S568 WeakPolarHBondContact O-CB 3.4Å; Q564-S568 PolarHBondContact O-N 3.21Å; Q565-S568 PolarHBondContact O-N 3.07Å; S568-Q571 PolarHBondContact O-N 2.77Å; S568-S572 PolarHBondContact O-N 3.43Å; S568-S572 PolarHBondContact O-OG 3.47Å
569	I	97.4	Very high	96.1	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.062	28%	0.28	C	S	.	.	H	α-helix	trans	-67.7	-42	175.8	-68	171.7	0	0	0	110.8	V40 V415 H548 C550 Q565 A566 S572 I573	V40-I569 HydrophobicContact CG1-CG2 4.09Å; V40-I569 HydrophobicContact CG2-CB 4.07Å; V40-I569 HydrophobicContact CG2-CG2 3.98Å; V415-I569 HydrophobicContact CG1-CD1 4.48Å; V415-I569 HydrophobicContact CG1-CG2 4.22Å; V415-I569 HydrophobicContact CG2-CG2 4.01Å; H548-I569 HydrophobicContact CB-CD1 4.42Å; H548-I569 HydrophobicContact CB-CG1 4.31Å; H548-I569 HydrophobicContact CB-CG2 3.86Å; C550-I569 VanDerWaalsContact SG-CD1 3.54Å; Q565-I569 HydrophobicContact CG-CD1 3.79Å; Q565-I569 HydrophobicContact CG-CG1 4.4Å; Q565-I569 WeakPolarHBondContact O-CG1 3.44Å; Q565-I569 PolarHBondContact O-N 2.99Å; A566-I569 PolarHBondContact O-N 3.31Å; I569-S572 PolarHBondContact O-N 2.91Å; I569-S572 PolarHBondContact O-OG 3.36Å; I569-I573 HydrophobicContact CG2-CD1 3.88Å; I569-I573 WeakPolarHBondContact O-CD1 3.3Å; I569-I573 VanDerWaalsContact O-CG1 3.28Å; I569-I573 WeakPolarHBondContact O-CG1 3.25Å; I569-I573 PolarHBondContact O-N 3.29Å
570	F	98.3	Very high	95.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-48.7	174.2	177.4	-90.3	0	0	0	111.3	A43 V47 A566 A567 S572 I573 L574 E577 E578 F579	A43-F570 HydrophobicContact CB-CD2 3.39Å; A43-F570 HydrophobicContact CB-CE2 3.73Å; A43-F570 HydrophobicContact CB-CG 4.11Å; V47-F570 HydrophobicContact CG1-CZ 4.22Å; V47-F570 HydrophobicContact CG2-CE2 3.89Å; V47-F570 HydrophobicContact CG2-CZ 4Å; A566-F570 WeakPolarHBondContact O-CB 3.5Å; A566-F570 PolarHBondContact O-N 3.06Å; A567-F570 PolarHBondContact O-N 3Å; F570-S572 VanDerWaalsContact C-N 3.26Å; F570-S572 PolarHBondContact O-N 3.43Å; F570-I573 PolarHBondContact O-N 2.71Å; F570-I573 VanDerWaalsContact O-N 3.08Å; F570-L574 HydrophobicContact CE2-CD1 3.87Å; F570-L574 HydrophobicContact CZ-CB 4.36Å; F570-L574 HydrophobicContact CZ-CD1 4.14Å; F570-L574 PolarHBondContact O-N 2.8Å; F570-E577 HydrophobicContact CE1-CB 4.03Å; F570-E577 HydrophobicContact CZ-CB 3.8Å; F570-E578 VanDerWaalsContact CZ-O 3.31Å; F570-E578 WeakPolarHBondContact CZ-O 3.46Å; F570-F579 HydrophobicContact CB-CD2 3.69Å; F570-F579 HydrophobicContact CB-CE2 4.02Å; F570-F579 HydrophobicContact CD1-CB 3.95Å; F570-F579 AromaticContact CD1-CD2 3.82Å; F570-F579 HydrophobicContact CD1-CD2 3.82Å; F570-F579 HydrophobicContact CD1-CG 4.38Å; F570-F579 HydrophobicContact CD2-CD2 4.27Å; F570-F579 HydrophobicContact CE1-CB 4.14Å; F570-F579 AromaticContact CG-CD2 3.66Å; F570-F579 HydrophobicContact CG-CD2 3.66Å; F570-F579 HydrophobicContact CG-CE2 4.38Å
571	Q	97.7	Very high	95.7	Very high	97 Å²	97	51.3 Å²	51.3	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-28.3	-179.8	-169.8	68.1	39.2	0	0	113.2	A567 S568 P575	A567-Q571 VanDerWaalsContact O-CB 3.29Å; A567-Q571 WeakPolarHBondContact O-CB 3.13Å; A567-Q571 PolarHBondContact O-N 3.23Å; S568-Q571 PolarHBondContact O-N 2.77Å; Q571-P575 PolarHBondContact NE2-O 3.4Å; Q571-P575 WeakPolarHBondContact O-CA 3.36Å
572	S	96.8	Very high	95.2	Very high	61 Å²	61	50.6 Å²	50.6	43%	0.427	27%	0.272	S	S	.	.	H	α-helix	trans	-81.9	-16.4	176.3	73.6	0	0	0	0	113.8	H548 S568 I569 F570	H548-S572 WeakPolarHBondContact CE1-CB 3.31Å; H548-S572 PolarHBondContact CE1-OG 3.26Å; H548-S572 PolarHBondContact ND1-OG 3.38Å; S568-S572 PolarHBondContact O-N 3.43Å; S568-S572 PolarHBondContact O-OG 3.47Å; I569-S572 PolarHBondContact O-N 2.91Å; I569-S572 PolarHBondContact O-OG 3.36Å; F570-S572 VanDerWaalsContact C-N 3.26Å; F570-S572 PolarHBondContact O-N 3.43Å
573	I	97.1	Very high	94	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.077	28%	0.281	C	S	.	.	H	α-helix	trans	-92.5	-45.4	173	-59.7	164.5	0	0	0	110.5	I28 H413 V415 H548 I569 F570	I28-I573 HydrophobicContact CD1-CD1 4.38Å; I28-I573 HydrophobicContact CD1-CG2 3.91Å; H413-I573 HydrophobicContact CB-CD1 4.49Å; H413-I573 HydrophobicContact CB-CG1 4.43Å; H413-I573 HydrophobicContact CB-CG2 4.37Å; V415-I573 HydrophobicContact CG2-CD1 4Å; H548-I573 WeakPolarHBondContact NE2-CG1 3.41Å; I569-I573 HydrophobicContact CG2-CD1 3.88Å; I569-I573 WeakPolarHBondContact O-CD1 3.3Å; I569-I573 VanDerWaalsContact O-CG1 3.28Å; I569-I573 WeakPolarHBondContact O-CG1 3.25Å; I569-I573 PolarHBondContact O-N 3.29Å; F570-I573 PolarHBondContact O-N 2.71Å; F570-I573 VanDerWaalsContact O-N 3.08Å
574	L	96.9	Very high	92.6	Very high	26 Å²	26	55.6 Å²	55.6	14%	0.136	31%	0.306	C	S	.	.			trans	-130.4	78.6	-173.5	-57	177	0	0	0	110.9	V47 Q49 F570 E576 E577	V47-L574 HydrophobicContact CG2-CD1 3.42Å; V47-L574 VanDerWaalsContact CG2-CD1 3.42Å; Q49-L574 HydrophobicContact CG-CD1 3.76Å; F570-L574 HydrophobicContact CE2-CD1 3.87Å; F570-L574 HydrophobicContact CZ-CB 4.36Å; F570-L574 HydrophobicContact CZ-CD1 4.14Å; F570-L574 PolarHBondContact O-N 2.8Å; L574-E576 VanDerWaalsContact C-N 3.3Å; L574-E576 PolarHBondContact O-N 2.76Å; L574-E577 HydrophobicContact CB-CB 3.93Å; L574-E577 HydrophobicContact CB-CG 3.97Å; L574-E577 HydrophobicContact CD1-CG 4.32Å; L574-E577 PolarHBondContact O-N 2.92Å
575	P	95.4	Very high	91.4	Very high	75 Å²	75	52 Å²	52	49%	0.487	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-18.7	-170.8	26.6	-35.3	0	0	0	115.2	Q571	Q571-P575 PolarHBondContact NE2-O 3.4Å; Q571-P575 WeakPolarHBondContact O-CA 3.36Å
576	E	95	Very high	89.9	Confident	181 Å²	181	54.7 Å²	54.7	85%	0.846	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-4	-179	-51.8	-62.1	139.7	0	0	113.1	L574	L574-E576 VanDerWaalsContact C-N 3.3Å; L574-E576 PolarHBondContact O-N 2.76Å
577	E	96	Very high	88.4	Confident	95 Å²	95	62.7 Å²	62.7	44%	0.444	35%	0.349	S	S	.	.	S	Bend	trans	-96.6	154.4	-175.3	-71.7	-64.7	158.8	0	0	112.6	V47 F570 L574	V47-E577 HydrophobicContact CB-CG 4.48Å; V47-E577 HydrophobicContact CG1-CB 4.45Å; V47-E577 HydrophobicContact CG2-CG 4.37Å; F570-E577 HydrophobicContact CE1-CB 4.03Å; F570-E577 HydrophobicContact CZ-CB 3.8Å; L574-E577 HydrophobicContact CB-CB 3.93Å; L574-E577 HydrophobicContact CB-CG 3.97Å; L574-E577 HydrophobicContact CD1-CG 4.32Å; L574-E577 PolarHBondContact O-N 2.92Å
578	E	93.9	Very high	87	Confident	100 Å²	100	67.4 Å²	67.4	47%	0.467	37%	0.371	S	S	.	.			trans	-79.3	133.9	174.4	-161.6	-172	160.8	0	0	111.1	K234 F570 C580 P581	K234-E578 WeakPolarHBondContact CE-OE1 3.28Å; K234-E578 IonicContact NZ-OE1 3.31Å; K234-E578 PolarHBondContact NZ-OE1 3.15Å; F570-E578 VanDerWaalsContact CZ-O 3.31Å; F570-E578 WeakPolarHBondContact CZ-O 3.46Å; E578-C580 PolarHBondContact O-N 3.13Å; E578-P581 HydrophobicContact CB-CB 4.28Å; E578-P581 HydrophobicContact CG-CB 4.49Å; E578-P581 VanDerWaalsContact O-CD 3.29Å; E578-P581 WeakPolarHBondContact O-CD 3.35Å
579	F	95.7	Very high	85.4	Confident	35 Å²	35	67.7 Å²	67.7	15%	0.154	37%	0.366	C	S	.	.	S	Bend	trans	-71.6	113.9	172.5	-180	-116.2	0	0	0	111.2	V39 A43 L231 K234 A566 A567 F570	V39-F579 HydrophobicContact CG1-CE2 4.14Å; V39-F579 HydrophobicContact CG1-CZ 3.6Å; A43-F579 HydrophobicContact CB-CD2 3.75Å; A43-F579 HydrophobicContact CB-CE2 3.71Å; L231-F579 HydrophobicContact CD1-CD1 4.48Å; L231-F579 HydrophobicContact CD1-CE1 3.95Å; L231-F579 HydrophobicContact CD2-CE1 4.27Å; L231-F579 HydrophobicContact CD2-CZ 4.42Å; K234-F579 PolarHBondContact NZ-O 3.45Å; A566-F579 HydrophobicContact CB-CZ 4.31Å; A567-F579 HydrophobicContact CB-CD1 3.97Å; A567-F579 HydrophobicContact CB-CD2 4.42Å; A567-F579 HydrophobicContact CB-CE1 3.79Å; A567-F579 HydrophobicContact CB-CE2 4.26Å; A567-F579 HydrophobicContact CB-CG 4.27Å; A567-F579 HydrophobicContact CB-CZ 3.93Å; F570-F579 HydrophobicContact CB-CD2 3.69Å; F570-F579 HydrophobicContact CB-CE2 4.02Å; F570-F579 HydrophobicContact CD1-CB 3.95Å; F570-F579 AromaticContact CD1-CD2 3.82Å; F570-F579 HydrophobicContact CD1-CD2 3.82Å; F570-F579 HydrophobicContact CD1-CG 4.38Å; F570-F579 HydrophobicContact CD2-CD2 4.27Å; F570-F579 HydrophobicContact CE1-CB 4.14Å; F570-F579 AromaticContact CG-CD2 3.66Å; F570-F579 HydrophobicContact CG-CD2 3.66Å; F570-F579 HydrophobicContact CG-CE2 4.38Å
580	C	91.4	Very high	83.7	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	40%	0.4	C	S	.	.	S	Bend	trans	48.8	63.5	179.3	-78.6	0	0	0	0	114.3	A43 L231 K234 E578	A43-C580 VanDerWaalsContact CA-SG 3.57Å; A43-C580 VanDerWaalsContact CB-SG 3.55Å; L231-C580 HydrophobicContact CD1-CB 3.61Å; K234-C580 WeakPolarHBondContact CD-O 3.47Å; K234-C580 WeakPolarHBondContact CE-O 3.43Å; E578-C580 PolarHBondContact O-N 3.13Å
581	P	88.9	Confident	82.4	Confident	16 Å²	16	81.6 Å²	81.6	10%	0.104	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-64.6	146.5	175.9	26.7	-34.4	0	0	0	110.9	R46 V47 E578 A583	R46-P581 HydrophobicContact CG-CG 3.92Å; R46-P581 PolarHBondContact NE-O 2.79Å; V47-P581 HydrophobicContact CG1-CG 4.24Å; E578-P581 HydrophobicContact CB-CB 4.28Å; E578-P581 HydrophobicContact CG-CB 4.49Å; E578-P581 VanDerWaalsContact O-CD 3.29Å; E578-P581 WeakPolarHBondContact O-CD 3.35Å; P581-A583 PolarHBondContact O-N 3.13Å
582	P	83.2	Confident	80.6	Confident	72 Å²	72	85.3 Å²	85.3	47%	0.468	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-49.9	137.7	176.1	-26.5	34.7	0	0	0	112.1	R46 K234	R46-P582 PolarHBondContact NH2-O 2.9Å; K234-P582 HydrophobicContact CG-CG 4.25Å; K234-P582 VanDerWaalsContact O-CA 3.3Å; K234-P582 WeakPolarHBondContact O-CA 3.45Å
583	A	69.4	Low	78.5	Confident	27 Å²	27	85.4 Å²	85.4	22%	0.223	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-62.9	132.5	171.3	0	0	0	0	0	108.9	F376 P581 N585	F376-A583 HydrophobicContact CZ-CB 4.45Å; P581-A583 PolarHBondContact O-N 3.13Å; A583-N585 PolarHBondContact O-N 3.4Å
584	P	67.8	Low	75.9	Confident	92 Å²	92	91.1 Å²	91.1	60%	0.597	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-62	125.3	173.3	-14.9	29.5	0	0	0	108
585	N	69.3	Low	73.3	Confident	57 Å²	57	98.2 Å²	98.2	31%	0.305	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-72.7	123.4	175	-173.2	38.7	0	0	0	107.8	A583 E587 D588	A583-N585 PolarHBondContact O-N 3.4Å; N585-E587 PolarHBondContact O-N 2.7Å; N585-E587 VanDerWaalsContact O-N 3.16Å; N585-D588 HydrophobicContact CB-CB 4.35Å; N585-D588 PolarHBondContact ND2-OD1 3.17Å; N585-D588 WeakPolarHBondContact O-CB 3.43Å; N585-D588 PolarHBondContact O-N 3.09Å
586	P	65.1	Low	70.4	Confident	89 Å²	89	100.2 Å²	100.2	58%	0.578	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-63.9	-21	-177.1	24.8	-34.5	0	0	0	113	D588 I589	P586-D588 VanDerWaalsContact C-N 3.33Å; P586-I589 WeakPolarHBondContact O-CB 3.21Å; P586-I589 PolarHBondContact O-N 3.25Å
587	E	67.2	Low	67.7	Low	168 Å²	168	97.2 Å²	97.2	79%	0.785	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-75.6	-20.6	175.4	-52.4	173	156	0	0	112.7	N585 I589	N585-E587 PolarHBondContact O-N 2.7Å; N585-E587 VanDerWaalsContact O-N 3.16Å; E587-I589 PolarHBondContact O-N 3.16Å
588	D	67.1	Low	64.7	Low	121 Å²	121	99.7 Å²	99.7	65%	0.647	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-79.1	-10	174.7	-57.9	4.7	0	0	0	111.5	N585 P586 V590	N585-D588 HydrophobicContact CB-CB 4.35Å; N585-D588 PolarHBondContact ND2-OD1 3.17Å; N585-D588 WeakPolarHBondContact O-CB 3.43Å; N585-D588 PolarHBondContact O-N 3.09Å; P586-D588 VanDerWaalsContact C-N 3.33Å; D588-V590 PolarHBondContact O-N 2.99Å
589	I	63.5	Low	61.7	Low	83 Å²	83	98 Å²	98	43%	0.426	58%	0.576	S	S	.	*			trans	-83	91.9	179.5	-53.9	179.1	0	0	0	108.9	P586 E587 Y591	P586-I589 WeakPolarHBondContact O-CB 3.21Å; P586-I589 PolarHBondContact O-N 3.25Å; E587-I589 PolarHBondContact O-N 3.16Å; I589-Y591 HydrophobicContact CB-CE2 4.17Å; I589-Y591 HydrophobicContact CG2-CD2 4.37Å; I589-Y591 HydrophobicContact CG2-CE1 4.24Å; I589-Y591 HydrophobicContact CG2-CE2 3.94Å; I589-Y591 WeakPolarHBondContact O-CD2 3.32Å; I589-Y591 WeakPolarHBondContact O-CE2 3.37Å; I589-Y591 PolarHBondContact O-N 3.26Å; I589-Y591 VanDerWaalsContact O-N 3.11Å
590	V	62.2	Low	58.8	Low	127 Å²	127	105.1 Å²	105.1	77%	0.77	61%	0.61	S	S	*	*			trans	-67.3	109.1	172	-177.9	0	0	0	0	109.6	D588 D592	D588-V590 PolarHBondContact O-N 2.99Å; V590-D592 PolarHBondContact O-N 3.49Å
591	Y	69.8	Low	55.8	Low	177 Å²	177	111 Å²	111	69%	0.694	64%	0.641	S	S	*	*			trans	-81.7	109.6	172.6	-66.8	-87.5	0	0	0	110.1	I589 G593	I589-Y591 HydrophobicContact CB-CE2 4.17Å; I589-Y591 HydrophobicContact CG2-CD2 4.37Å; I589-Y591 HydrophobicContact CG2-CE1 4.24Å; I589-Y591 HydrophobicContact CG2-CE2 3.94Å; I589-Y591 WeakPolarHBondContact O-CD2 3.32Å; I589-Y591 WeakPolarHBondContact O-CE2 3.37Å; I589-Y591 PolarHBondContact O-N 3.26Å; I589-Y591 VanDerWaalsContact O-N 3.11Å; Y591-G593 PolarHBondContact O-N 3.19Å
592	D	61	Low	53.2	Low	175 Å²	175	120.3 Å²	120.3	94%	0.936	67%	0.674	S	S	*	*			trans	-66.6	76.8	167.9	-91.8	-29.5	0	0	0	109.9	V590	V590-D592 PolarHBondContact O-N 3.49Å
593	G	51.7	Low	50.5	Low	62 Å²	62	119.9 Å²	119.9	64%	0.639	68%	0.683	S	S	*	*			trans	-160.3	7	-155.3	0	0	0	0	0	119.6	Y591	Y591-G593 PolarHBondContact O-N 3.19Å
594	D	43.3	Very low	48.9	Very low	136 Å²	136	125.6 Å²	125.6	73%	0.727	71%	0.71	S	S	*	*			trans	-154.3	95.3	154.4	-127.4	-29.5	0	0	0	114.1	T596	D594-T596 PolarHBondContact OD1-OG1 3.24Å
595	N	41.3	Very low	47.2	Very low	175 Å²	175	129.4 Å²	129.4	94%	0.936	72%	0.722	S	S	*	*			trans	-127.2	51.2	169.2	-133.6	-26.8	0	0	0	108.5
596	T	36	Very low	45.2	Very low	117 Å²	117	130.5 Å²	130.5	72%	0.718	75%	0.746	S	S	*	*			trans	-106.4	118.3	175.3	60.9	0	0	0	0	111.1	D594 T598	D594-T596 PolarHBondContact OD1-OG1 3.24Å; T596-T598 PolarHBondContact O-N 3.16Å
597	S	37.2	Very low	43.6	Very low	117 Å²	117	134.8 Å²	134.8	82%	0.818	76%	0.759	S	S	*	*			trans	-60.4	127.9	-172	54.1	0	0	0	0	114.5
598	T	32.6	Very low	41.7	Very low	147 Å²	147	135 Å²	135	90%	0.902	77%	0.765	S	S	*	*			trans	-118.4	135.8	139.6	47.6	0	0	0	0	108.9	T596	T596-T598 PolarHBondContact O-N 3.16Å
599	G	32.6	Very low	39.9	Very low	65 Å²	65	136.3 Å²	136.3	67%	0.67	77%	0.772	S	S	*	*			trans	-150.7	179.7	-179.7	0	0	0	0	0	110.2
600	E	34.1	Very low	38.3	Very low	185 Å²	185	140 Å²	140	86%	0.864	79%	0.788	S	S	*	*			trans	75.3	134.1	-160.4	-48.9	-172.2	153.3	0	0	112
601	D	28.9	Very low	36.7	Very low	123 Å²	123	142 Å²	142	66%	0.658	79%	0.789	S	S	*	*			cis	-128.5	174.5	18.1	-150.6	-3.7	0	0	0	115.2
602	R	33.1	Very low	34.6	Very low	211 Å²	211	140.7 Å²	140.7	80%	0.796	79%	0.793	S	S	*	*			trans	-65.7	170.5	-164.4	-60.4	142.7	-167.9	146.1	6.9	116.3
603	G	28.2	Very low	33.7	Very low	63 Å²	63	137.2 Å²	137.2	65%	0.649	78%	0.78	S	S	*	*			cis	-166.9	163.1	6.5	0	0	0	0	0	111.2
604	D	35.4	Very low	32.6	Very low	148 Å²	148	143.3 Å²	143.3	79%	0.791	79%	0.792	S	S	*	*				73.7	125.1	71	-159.2	47.1	0	0	0	112.6
605	M	30.6	Very low	32	Very low	171 Å²	171	145.1 Å²	145.1	84%	0.842	80%	0.796	S	S	*	*			cis	-131.9	167.9	13.7	-68.5	176.7	176.6	0	0	112.8
606	G	27.8	Very low	31.4	Very low	80 Å²	80	143.3 Å²	143.3	83%	0.825	79%	0.787	S	S	*	*			trans	174.8	48.2	167.5	0	0	0	0	0	117
607	Q	31.8	Very low	31	Very low	180 Å²	180	144.8 Å²	144.8	84%	0.841	79%	0.785	S	S	*	*			trans	-89.1	145.7	175.2	-69.6	-178	-42.4	0	0	112.4
608	D	27.2	Very low	30.5	Very low	171 Å²	171	145.6 Å²	145.6	91%	0.914	78%	0.781	S	S	*	*				-156	146.1	121.7	-102.7	-25.7	0	0	0	109.2
609	D	29.5	Very low	30.3	Very low	149 Å²	149	148 Å²	148	80%	0.797	78%	0.782	S	S	*	*			trans	-111.7	-174.8	-169.4	-125.1	-46	0	0	0	111.6
610	E	30.6	Very low	30.1	Very low	161 Å²	161	153.1 Å²	153.1	75%	0.752	79%	0.788	S	S	*	*			trans	88.1	141.7	176.3	-56	-164.4	168	0	0	116.7
611	Q	27.8	Very low	29.8	Very low	170 Å²	170	151.2 Å²	151.2	79%	0.794	78%	0.784	S	S	*	*			cis	-148.3	167.4	16.9	-139.2	163.9	72.9	0	0	112.4
612	N	25	Very low	29.7	Very low	148 Å²	148	156.3 Å²	156.3	79%	0.791	79%	0.794	S	S	*	*			trans	-145.9	174.9	-175.4	-161	20.8	0	0	0	109.5
613	P	44	Very low	29.4	Very low	102 Å²	102	153.3 Å²	153.3	66%	0.662	79%	0.794	S	S	*	*				-110.9	167.5	-83.5	34.4	-21.1	0	0	0	114.9
614	E	28.3	Very low	29.3	Very low	190 Å²	190	158.6 Å²	158.6	89%	0.888	80%	0.801	S	S	*	*			trans	-126.2	106.2	161.8	-73.9	-154.7	130.7	0	0	115.1
615	Q	30.3	Very low	29	Very low	174 Å²	174	156.8 Å²	156.8	81%	0.813	79%	0.792	S	S	*	*			trans	37.6	104.3	137.6	-54.9	-167.6	25.6	0	0	123
616	N	27.7	Very low	28.9	Very low	137 Å²	137	157.9 Å²	157.9	73%	0.733	80%	0.795	S	S	*	*				60.7	127	113.1	-99.6	-18.8	0	0	0	124
617	Q	27.8	Very low	29.1	Very low	148 Å²	148	160.1 Å²	160.1	69%	0.692	78%	0.784	S	S	*	*			trans	94.6	116.8	133.5	-74.5	176.3	30.9	0	0	123.1
618	N	27.6	Very low	29	Very low	135 Å²	135	157.7 Å²	157.7	72%	0.722	78%	0.777	S	S	*	*			trans	67.7	108.9	138	-55.8	-14.6	0	0	0	120.3
619	Q	27.5	Very low	29.1	Very low	197 Å²	197	157.7 Å²	157.7	92%	0.921	77%	0.771	S	S	*	*				-170.1	159.4	95.3	-101.5	178.7	3.5	0	0	113
620	E	29.6	Very low	29	Very low	173 Å²	173	158 Å²	158	81%	0.808	77%	0.773	S	S	*	*			trans	-90.7	164.8	170.5	-62.3	-178.5	119.7	0	0	112.4
621	N	27.5	Very low	29	Very low	144 Å²	144	158.2 Å²	158.2	77%	0.77	77%	0.774	S	S	*	*			trans	77.1	144.2	160.5	-74.7	-68.4	0	0	0	119.7
622	R	26	Very low	29.1	Very low	231 Å²	231	159.8 Å²	159.8	87%	0.872	78%	0.781	S	S	*	*			trans	70.4	137.3	170.5	-75.3	178	176.9	173.4	-2.6	115.9
623	N	27.9	Very low	29.5	Very low	148 Å²	148	159.2 Å²	159.2	79%	0.791	78%	0.778	S	S	*	*			cis	-135.6	162.8	25.9	-100.9	-23.1	0	0	0	115.3
624	Q	25.9	Very low	30	Very low	173 Å²	173	159.1 Å²	159.1	81%	0.808	78%	0.777	S	S	*	*			trans	-101.2	170.6	155.1	-63.4	175	-62.3	0	0	109.8
625	N	29	Very low	30	Very low	110 Å²	110	157.1 Å²	157.1	59%	0.588	77%	0.773	S	S	*	*			trans	66.8	134.4	167.9	-55.4	4.4	0	0	0	114.4	E627	N625-E627 HydrophobicContact CB-CB 4.45Å; N625-E627 HydrophobicContact CB-CG 4.14Å; N625-E627 PolarHBondContact ND2-OE1 2.72Å
626	E	28.7	Very low	31.2	Very low	194 Å²	194	153.9 Å²	153.9	91%	0.907	77%	0.767	S	S	*	*				-104.1	141.3	57	-59.6	177.3	151	0	0	112.6
627	E	31.3	Very low	31.4	Very low	128 Å²	128	154.6 Å²	154.6	60%	0.598	77%	0.766	S	S	*	*			cis	63	106	33.7	-79.7	-169.3	-145.1	0	0	114.7	N625	N625-E627 HydrophobicContact CB-CB 4.45Å; N625-E627 HydrophobicContact CB-CG 4.14Å; N625-E627 PolarHBondContact ND2-OE1 2.72Å
628	N	29.6	Very low	31.6	Very low	129 Å²	129	153.6 Å²	153.6	69%	0.69	76%	0.761	S	S	*	*				-177.1	148.2	71.2	-111.1	-62.5	0	0	0	112.8
629	Q	28.6	Very low	31.7	Very low	170 Å²	170	154 Å²	154	79%	0.794	76%	0.763	S	S	*	*	S	Bend		164.7	93	116.6	-88.4	-169.6	4.7	0	0	111.9
630	N	28.2	Very low	32	Very low	156 Å²	156	151.5 Å²	151.5	83%	0.834	75%	0.752	S	S	*	*				172.5	112	116.5	-87.8	-14.4	0	0	0	110.9
631	Q	31.1	Very low	32.2	Very low	166 Å²	166	149.1 Å²	149.1	78%	0.776	74%	0.744	S	S	*	*			trans	-127.7	141.6	158.2	-70.4	-175.9	2.9	0	0	107.1
632	E	29.1	Very low	32.5	Very low	202 Å²	202	150.6 Å²	150.6	94%	0.944	75%	0.747	S	S	*	*			trans	-144	120.5	143.8	-127	167.7	-158.1	0	0	111
633	N	32.9	Very low	32.6	Very low	137 Å²	137	143.1 Å²	143.1	73%	0.733	74%	0.742	S	S	*	*			trans	-74.8	-173.1	-166.1	-109.2	-18.5	0	0	0	113.7
634	P	55.5	Low	32.9	Very low	99 Å²	99	143.6 Å²	143.6	64%	0.643	74%	0.744	S	S	*	*			trans	-121.4	-152.2	-142.8	47.2	-37.2	0	0	0	115
635	D	29.2	Very low	34.4	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	73%	0.733	S	S	*	*			trans	75.2	161.6	162.2	-85.6	-0.4	0	0	0	118.1
636	P	53.7	Low	34.6	Very low	106 Å²	106	141.8 Å²	141.8	69%	0.688	74%	0.74	S	S	*	*			cis	-139	-158.6	-43.3	36.5	-16.9	0	0	0	113.2
637	E	31.8	Very low	34.9	Very low	152 Å²	152	138.7 Å²	138.7	71%	0.71	73%	0.729	S	S	*	*			trans	97.8	121	154.1	-59.2	-121.8	98.2	0	0	123.5
638	Q	32.1	Very low	34.9	Very low	127 Å²	127	140.4 Å²	140.4	59%	0.593	74%	0.737	S	S	*	*			trans	54.9	112.7	133	-57.8	-169.5	41.9	0	0	124.4
639	N	30.6	Very low	35	Very low	143 Å²	143	138.3 Å²	138.3	77%	0.765	73%	0.732	S	S	*	*				-179.9	127.4	112	-95.1	-68.5	0	0	0	108.1
640	Q	34.6	Very low	35.3	Very low	146 Å²	146	136.9 Å²	136.9	68%	0.682	74%	0.735	S	S	*	*			cis	87	140.8	44.6	-73.1	-151.8	20.8	0	0	116.5
641	N	33.5	Very low	35.5	Very low	122 Å²	122	132.5 Å²	132.5	65%	0.652	73%	0.726	S	S	*	*			trans	70	146.3	174.9	-61.4	-31.4	0	0	0	117.8
642	Q	33.8	Very low	36.8	Very low	176 Å²	176	130.2 Å²	130.2	82%	0.822	73%	0.726	S	S	*	*			cis	-165	156.4	-17.2	-111.1	165.8	36.9	0	0	106.5
643	G	27.5	Very low	37	Very low	74 Å²	74	128.4 Å²	128.4	76%	0.763	72%	0.718	S	S	*	*			cis	-172.9	-178.8	0.9	0	0	0	0	0	111.8
644	N	34.1	Very low	37.2	Very low	158 Å²	158	130.4 Å²	130.4	85%	0.845	72%	0.722	S	S	*	*			trans	-94.5	-171.8	178.7	-146.1	22.3	0	0	0	109.2
645	P	57.1	Low	36.5	Very low	88 Å²	88	136.9 Å²	136.9	57%	0.571	73%	0.734	S	S	*	*			cis	-148.3	-164.9	2.2	45.1	-23.2	0	0	0	118.1
646	E	34.3	Very low	37.9	Very low	156 Å²	156	135.5 Å²	135.5	73%	0.729	73%	0.733	S	S	*	*			trans	90.8	128.9	139.1	-85.8	176.1	-171.9	0	0	124.4
647	L	33.7	Very low	37.5	Very low	130 Å²	130	139 Å²	139	68%	0.681	77%	0.77	S	S	*	*			trans	60.7	142.8	136.5	-64.5	165.5	0	0	0	119.1
648	Q	31.6	Very low	37.7	Very low	163 Å²	163	138.3 Å²	138.3	76%	0.762	77%	0.773	S	S	*	*			cis	-163.7	169.7	18.2	-110.5	157.4	69	0	0	107.8
649	S	32.2	Very low	38	Very low	86 Å²	86	138.9 Å²	138.9	60%	0.601	78%	0.783	S	S	*	*			cis	175.8	163.5	-27.1	56.1	0	0	0	0	111.2
650	V	34.4	Very low	38.5	Very low	140 Å²	140	138.7 Å²	138.7	85%	0.848	78%	0.784	S	S	*	*			trans	78.1	141.4	165.8	-164.9	0	0	0	0	117.1
651	G	33.5	Very low	38.7	Very low	63 Å²	63	138.2 Å²	138.2	65%	0.649	79%	0.79	S	S	*	*			trans	-104	-123.7	169.2	0	0	0	0	0	110.7
652	P	56.8	Low	39	Very low	118 Å²	118	139.3 Å²	139.3	77%	0.766	80%	0.799	S	S	*	*			cis	-88.8	-123.7	-16.4	7.4	12.2	0	0	0	113.6
653	E	34.5	Very low	39.4	Very low	165 Å²	165	136.8 Å²	136.8	77%	0.771	80%	0.797	S	S	*	*			cis	-151.7	157.2	8.7	-85.6	169.3	172.5	0	0	114.4
654	E	36.3	Very low	40.2	Very low	179 Å²	179	141.3 Å²	141.3	84%	0.836	80%	0.799	S	S	*	*			trans	36.9	119.5	150.8	-61.8	-164	154.5	0	0	125.1
655	R	41.5	Very low	40.7	Very low	235 Å²	235	140 Å²	140	89%	0.887	80%	0.796	S	S	*	*			trans	-68.8	152.6	130.2	-76.2	-172.3	-173.4	-168.4	3	108.5
656	P	58.4	Low	39.3	Very low	119 Å²	119	144.3 Å²	144.3	77%	0.773	82%	0.815	S	S	*	*			cis	-153.8	158	49.3	41	-20.6	0	0	0	119.9
657	A	44.6	Very low	39.8	Very low	178 Å²	178	143.3 Å²	143.3	100%	1.471	82%	0.822	S	S	*	*			trans	-154.6	0	133.4	0	0	0	0	0	108.2

Retrieved 657 of 657 residues in 587.8 ms (Link to these results)

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