A0A061I344_CRIGR Loading...

KDEL motif-containing protein 2

Protein glucosyltransferase that catalyzes the transfer of glucose from UDP-glucose to a serine residue within the consensus sequence peptide C-X-N-T-X-G-S-F-X-C. Can also catalyze the transfer of xylose from UDP-xylose but less efficiently. Specifically targets extracellular EGF repeats of proteins such as NOTCH1, NOTCH3, FBN1, FBN2 and LTBP1. May regulate the transport of NOTCH1 and NOTCH3 to the plasma membrane and thereby the Notch signaling pathway.

AlphaFold DB , UniProt , Accession A0A061I344, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Poglut3, Length 507 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	40.8	Very low	36.8	Very low	233 Å²	233	172.7 Å²	172.7	100%	1.148	86%	0.859	S	S	*	*				0	79	0	-72.8	169.9	165.2	0	0	107.6
2	H	35.3	Very low	36.7	Very low	182 Å²	182	170.8 Å²	170.8	84%	0.843	85%	0.853	S	S	*	*				67.1	93	92.1	-71.7	-14.3	0	0	0	112.1
3	R	33.3	Very low	36.5	Very low	238 Å²	238	169.8 Å²	169.8	90%	0.898	85%	0.851	S	S	*	*				65.1	112.4	83.5	-82.2	-167	179.4	-176.9	0.9	114
4	V	38.8	Very low	36.5	Very low	127 Å²	127	167.4 Å²	167.4	77%	0.77	84%	0.841	S	S	*	*			trans	-42	154.3	166.4	-160.1	0	0	0	0	112.6
5	P	41.6	Very low	36.4	Very low	122 Å²	122	162.1 Å²	162.1	79%	0.792	83%	0.833	S	S	*	*				-144	155.7	91.4	27.8	-6.5	0	0	0	116.7
6	R	40.1	Very low	36.2	Very low	240 Å²	240	160.6 Å²	160.6	91%	0.906	83%	0.826	S	S	*	*			trans	-61.3	149.1	165.6	-69	170	166	170.8	-5.5	111.8
7	A	33.1	Very low	36.1	Very low	95 Å²	95	160.8 Å²	160.8	79%	0.785	83%	0.828	S	S	*	*			trans	-135.2	155.9	170	0	0	0	0	0	108.9
8	P	39.4	Very low	36	Very low	124 Å²	124	158.7 Å²	158.7	81%	0.805	82%	0.823	S	S	*	*				-108.4	165.5	-118.9	13.8	7	0	0	0	115.4	L10	P8-L10 PolarHBondContact O-N 3.15Å
9	L	34.6	Very low	35.9	Very low	161 Å²	161	154.9 Å²	154.9	84%	0.843	82%	0.818	S	S	*	*			trans	-52.1	121.2	165.8	-80.5	98.4	0	0	0	111.5	R11	L9-R11 PolarHBondContact O-N 2.96Å; L9-R11 VanDerWaalsContact O-N 3.09Å
10	L	34.3	Very low	35.9	Very low	160 Å²	160	151.3 Å²	151.3	84%	0.838	81%	0.811	S	S	*	*			trans	-75	92	164.1	-154.4	79.5	0	0	0	108.3	P8 L12	P8-L10 PolarHBondContact O-N 3.15Å; L10-L12 PolarHBondContact O-N 3.21Å
11	R	34	Very low	35.9	Very low	218 Å²	218	147.3 Å²	147.3	82%	0.823	81%	0.805	S	S	*	*			trans	-70.3	105.5	163.9	-79.5	-175.5	173.2	-176.3	-1.7	107.7	L9 L13	L9-R11 PolarHBondContact O-N 2.96Å; L9-R11 VanDerWaalsContact O-N 3.09Å; R11-L13 VanDerWaalsContact C-N 3.29Å; R11-L13 PolarHBondContact O-N 3.09Å
12	L	35.2	Very low	36	Very low	150 Å²	150	140.9 Å²	140.9	79%	0.785	79%	0.79	S	S	*	*			trans	-67.7	91.5	165.1	-141.1	89.9	0	0	0	107.5	L10 L14	L10-L12 PolarHBondContact O-N 3.21Å; L12-L14 PolarHBondContact O-N 3.34Å; L12-L14 VanDerWaalsContact O-N 3.15Å
13	L	34.7	Very low	36.9	Very low	158 Å²	158	134.9 Å²	134.9	83%	0.827	78%	0.777	S	S	*	*			trans	-70.9	101.4	163.7	-103.8	141	0	0	0	106.5	R11 A15	R11-L13 VanDerWaalsContact C-N 3.29Å; R11-L13 PolarHBondContact O-N 3.09Å; L13-A15 PolarHBondContact O-N 3.41Å
14	L	36.2	Very low	38.2	Very low	136 Å²	136	125.9 Å²	125.9	71%	0.712	75%	0.753	S	S	*	*			trans	-62.6	89.7	162.1	-147.6	86.5	0	0	0	106.4	L12 L16	L12-L14 PolarHBondContact O-N 3.34Å; L12-L14 VanDerWaalsContact O-N 3.15Å; L14-L16 PolarHBondContact O-N 2.84Å
15	A	34.5	Very low	40.3	Very low	87 Å²	87	130 Å²	130	72%	0.719	76%	0.755	S	S	*	*			trans	-67.3	86.1	163.6	0	0	0	0	0	106.5	L13 L17	L13-A15 PolarHBondContact O-N 3.41Å; A15-L17 VanDerWaalsContact C-N 3.3Å; A15-L17 PolarHBondContact O-N 2.95Å
16	L	33.7	Very low	42.7	Very low	138 Å²	138	124.7 Å²	124.7	72%	0.723	72%	0.72	S	S	*	*			trans	-53.7	106.3	154.8	-92	149	0	0	0	105.6	L14 V18	L14-L16 PolarHBondContact O-N 2.84Å; L16-V18 PolarHBondContact O-N 2.86Å
17	L	33.9	Very low	45.2	Very low	165 Å²	165	114.3 Å²	114.3	86%	0.864	69%	0.685	S	S	*	*			trans	-53.1	84	156	-84.6	141.4	0	0	0	107	A15 A19	A15-L17 VanDerWaalsContact C-N 3.3Å; A15-L17 PolarHBondContact O-N 2.95Å; L17-A19 PolarHBondContact O-N 3.08Å
18	V	34.5	Very low	48.2	Very low	122 Å²	122	109.9 Å²	109.9	74%	0.739	65%	0.648	S	S	*	*			trans	-67.5	86.5	148.4	-178.6	0	0	0	0	103.4	L16 A20	L16-V18 PolarHBondContact O-N 2.86Å; V18-A20 HydrophobicContact CG1-CB 4.42Å; V18-A20 PolarHBondContact O-N 2.87Å
19	A	33.7	Very low	50.9	Low	87 Å²	87	107.9 Å²	107.9	72%	0.719	64%	0.635	S	S	*	*			trans	-60.3	81.7	152	0	0	0	0	0	105.5	L17 G21	L17-A19 PolarHBondContact O-N 3.08Å; A19-G21 PolarHBondContact O-N 2.87Å
20	A	36.2	Very low	53.8	Low	83 Å²	83	106.4 Å²	106.4	69%	0.686	62%	0.618	S	S	*	*			trans	-56.2	102	155.4	0	0	0	0	0	103.7	V18 A22	V18-A20 HydrophobicContact CG1-CB 4.42Å; V18-A20 PolarHBondContact O-N 2.87Å; A20-A22 PolarHBondContact O-N 3.24Å
21	G	37	Very low	56.8	Low	67 Å²	67	98.8 Å²	98.8	69%	0.691	58%	0.578	S	S	*	*			trans	-48.4	118.8	-175.4	0	0	0	0	0	108.1	A19 G23	A19-G21 PolarHBondContact O-N 2.87Å; G21-G23 PolarHBondContact O-N 2.92Å
22	A	42	Very low	59.8	Low	99 Å²	99	92.3 Å²	92.3	82%	0.818	56%	0.559	S	S	*	*			trans	-55.3	100.4	161.9	0	0	0	0	0	105	A20 A24	A20-A22 PolarHBondContact O-N 3.24Å; A22-A24 PolarHBondContact O-N 3.46Å
23	G	54.5	Low	62.8	Low	55 Å²	55	85.9 Å²	85.9	57%	0.567	53%	0.528	S	S	*	.			trans	-50.9	123	-179.1	0	0	0	0	0	107.3	G21 R25	G21-G23 PolarHBondContact O-N 2.92Å; G23-R25 PolarHBondContact O-N 2.99Å
24	A	60.9	Low	65.8	Low	49 Å²	49	83.7 Å²	83.7	41%	0.405	51%	0.509	S	S	.	.			trans	-49.7	115.1	-174.4	0	0	0	0	0	109	A22 V26 D55 L61	A22-A24 PolarHBondContact O-N 3.46Å; A24-V26 PolarHBondContact O-N 3.1Å; A24-D55 HydrophobicContact CB-CB 3.84Å; A24-L61 HydrophobicContact CB-CD2 3.98Å
25	R	83.1	Confident	68.7	Low	214 Å²	214	78.1 Å²	78.1	81%	0.808	48%	0.484	S	S	*	.			trans	-68.6	123.5	-175.4	-172	175.8	177.7	177.2	-1.8	107.7	G23 S27	G23-R25 PolarHBondContact O-N 2.99Å; R25-S27 PolarHBondContact O-N 3.36Å
26	V	90.8	Very high	71.7	Confident	11 Å²	11	74.9 Å²	74.9	7%	0.067	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-60.3	129.5	177.1	177.4	0	0	0	0	109.3	A24 A53 V54 L61 P65 Y119	A24-V26 PolarHBondContact O-N 3.1Å; V26-A53 HydrophobicContact CG1-CB 4.18Å; V26-A53 HydrophobicContact CG2-CB 4.15Å; V26-V54 WeakPolarHBondContact CA-O 3.3Å; V26-L61 HydrophobicContact CG2-CD1 3.82Å; V26-P65 HydrophobicContact CG2-CB 4.3Å; V26-P65 HydrophobicContact CG2-CG 3.4Å; V26-Y119 HydrophobicContact CB-CD1 4.17Å; V26-Y119 HydrophobicContact CB-CE1 3.56Å; V26-Y119 HydrophobicContact CB-CE2 4.08Å; V26-Y119 VanDerWaalsContact CB-CZ 3.5Å; V26-Y119 HydrophobicContact CG1-CD1 4Å; V26-Y119 HydrophobicContact CG1-CD2 4.15Å; V26-Y119 HydrophobicContact CG1-CE1 3.89Å; V26-Y119 HydrophobicContact CG1-CE2 4Å; V26-Y119 HydrophobicContact CG1-CG 4.14Å; V26-Y119 HydrophobicContact CG2-CE1 4.3Å; V26-Y119 HydrophobicContact CG2-CE2 4.14Å; V26-Y119 WeakPolarHBondContact CG2-OH 3.41Å
27	S	93.9	Very high	74.7	Confident	22 Å²	22	68.3 Å²	68.3	15%	0.154	42%	0.421	C	S	.	.			trans	-94.3	107.9	169.9	179.7	0	0	0	0	108.8	R25 R30 S31 V54	R25-S27 PolarHBondContact O-N 3.36Å; S27-R30 PolarHBondContact O-N 3.48Å; S27-R30 WeakPolarHBondContact OG-CG 3.37Å; S27-S31 WeakPolarHBondContact O-CB 3.48Å; S27-S31 PolarHBondContact O-N 3.33Å; S27-S31 PolarHBondContact O-OG 3.13Å; S27-V54 PolarHBondContact N-O 3.41Å
28	A	94.4	Very high	77.7	Confident	2 Å²	2	61.9 Å²	61.9	2%	0.017	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-50.6	174.6	0	0	0	0	0	112.8	R30 S31 E122 H123 V124 A125	A28-R30 VanDerWaalsContact C-N 3.27Å; A28-R30 PolarHBondContact O-N 3.34Å; A28-S31 WeakPolarHBondContact O-CB 3.34Å; A28-S31 PolarHBondContact O-N 3.3Å; A28-E122 HydrophobicContact CB-CB 3.75Å; A28-H123 CarbonylContact C-O 3.43Å; A28-H123 WeakPolarHBondContact CB-O 3.32Å; A28-V124 HydrophobicContact CB-CG2 4.35Å; A28-V124 VanDerWaalsContact O-CA 3.32Å; A28-V124 WeakPolarHBondContact O-CA 3.13Å; A28-A125 PolarHBondContact O-N 3.29Å; A28-A125 VanDerWaalsContact O-N 3.12Å
29	P	96.2	Very high	80.6	Confident	82 Å²	82	59.8 Å²	59.8	53%	0.532	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-23	-177.1	25.9	-35.8	0	0	0	114
30	R	96.3	Very high	83.5	Confident	130 Å²	130	56.5 Å²	56.5	49%	0.491	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-19.1	176.3	-63.7	-177.7	170.9	-137.7	-0.8	113.6	S27 A28 V54 S56 D57 G58	S27-R30 PolarHBondContact O-N 3.48Å; S27-R30 WeakPolarHBondContact OG-CG 3.37Å; A28-R30 VanDerWaalsContact C-N 3.27Å; A28-R30 PolarHBondContact O-N 3.34Å; R30-V54 HydrophobicContact CB-CB 4.2Å; R30-V54 HydrophobicContact CB-CG1 3.8Å; R30-V54 WeakPolarHBondContact O-CB 3.36Å; R30-V54 WeakPolarHBondContact O-CG2 3.45Å; R30-S56 PolarHBondContact NE-O 3.02Å; R30-S56 PolarHBondContact NH1-O 2.92Å; R30-S56 VanDerWaalsContact NH1-O 3.16Å; R30-D57 PolarHBondContact NH1-O 2.95Å; R30-G58 VanDerWaalsContact NH1-N 3.19Å
31	S	96.9	Very high	86.3	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-64.5	149.4	176.6	-67.1	0	0	0	0	110.5	S27 A28 Q52 V54 A125	S27-S31 WeakPolarHBondContact O-CB 3.48Å; S27-S31 PolarHBondContact O-N 3.33Å; S27-S31 PolarHBondContact O-OG 3.13Å; A28-S31 WeakPolarHBondContact O-CB 3.34Å; A28-S31 PolarHBondContact O-N 3.3Å; S31-Q52 CarbonylContact C-O 3.56Å; S31-Q52 VanDerWaalsContact CA-O 3.27Å; S31-Q52 WeakPolarHBondContact CA-O 3.31Å; S31-Q52 WeakPolarHBondContact CB-O 3.4Å; S31-V54 PolarHBondContact OG-N 2.95Å; S31-V54 VanDerWaalsContact OG-N 3.14Å; S31-A125 WeakPolarHBondContact O-CB 3.41Å
32	L	97.8	Very high	89	Confident	81 Å²	81	52.8 Å²	52.8	42%	0.424	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	153.8	-171.8	-46.7	173.3	0	0	0	111.5	W34 L51 Q52 V54	L32-W34 HydrophobicContact CB-CE3 4.16Å; L32-W34 HydrophobicContact CB-CZ3 4.11Å; L32-L51 CarbonylContact O-C 3.47Å; L32-L51 VanDerWaalsContact O-CA 3.24Å; L32-L51 WeakPolarHBondContact O-CA 3.43Å; L32-Q52 HydrophobicContact CB-CB 4.06Å; L32-Q52 HydrophobicContact CD1-CB 4.35Å; L32-Q52 HydrophobicContact CD1-CG 4.4Å; L32-Q52 HydrophobicContact CG-CB 4.34Å; L32-Q52 PolarHBondContact N-O 3.25Å; L32-Q52 PolarHBondContact O-N 2.95Å; L32-V54 HydrophobicContact CG-CG2 4.35Å
33	A	98.3	Very high	91.6	Very high	15 Å²	15	48.4 Å²	48.4	12%	0.124	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	135.2	165.6	0	0	0	0	0	111.9	L38 F49 F50 L51 Y129	A33-L38 HydrophobicContact CB-CD1 4.05Å; A33-F49 HydrophobicContact CB-CD2 4.31Å; A33-F49 HydrophobicContact CB-CE2 4.45Å; A33-F50 VanDerWaalsContact CA-O 3.22Å; A33-F50 WeakPolarHBondContact CA-O 3.27Å; A33-L51 HydrophobicContact CB-CD2 3.53Å; A33-Y129 HydrophobicContact CB-CE1 3.96Å; A33-Y129 HydrophobicContact CB-CE2 4.29Å; A33-Y129 WeakPolarHBondContact CB-OH 2.86Å
34	W	97.8	Very high	93.6	Very high	113 Å²	113	46 Å²	46	43%	0.428	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	154.8	179.5	72.4	102	0	0	0	111.7	L32 F49 F50 Q52	L32-W34 HydrophobicContact CB-CE3 4.16Å; L32-W34 HydrophobicContact CB-CZ3 4.11Å; W34-F49 CarbonylContact O-C 3.6Å; W34-F49 WeakPolarHBondContact O-CA 3.49Å; W34-F49 WeakPolarHBondContact O-CB 3.44Å; W34-F50 HydrophobicContact CD2-CB 3.95Å; W34-F50 AromaticContact CE2-CD2 3.95Å; W34-F50 HydrophobicContact CE3-CB 4.15Å; W34-F50 HydrophobicContact CH2-CB 3.76Å; W34-F50 HydrophobicContact CZ2-CB 3.55Å; W34-F50 HydrophobicContact CZ2-CD2 4.34Å; W34-F50 HydrophobicContact CZ2-CG 4.1Å; W34-F50 HydrophobicContact CZ3-CB 4.05Å; W34-F50 PolarHBondContact N-O 2.88Å; W34-F50 VanDerWaalsContact N-O 3.07Å; W34-F50 AromaticContact NE1-CD2 3.63Å; W34-F50 PolarHBondContact O-N 2.96Å; W34-Q52 HydrophobicContact CH2-CB 3.83Å; W34-Q52 HydrophobicContact CZ3-CB 3.55Å
35	G	96.7	Very high	95.3	Very high	19 Å²	19	43.8 Å²	43.8	20%	0.196	22%	0.217	C	C	.	.	S	Bend	trans	142	172	173.7	0	0	0	0	0	113.4	G37 L38	G35-G37 VanDerWaalsContact C-N 3.25Å; G35-G37 PolarHBondContact O-N 2.71Å; G35-L38 PolarHBondContact O-N 2.97Å; G35-L38 VanDerWaalsContact O-N 3.12Å
36	P	96.3	Very high	95.9	Very high	18 Å²	18	33.8 Å²	33.8	12%	0.117	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-65.2	-28	-173.5	26.6	-35	0	0	0	112.9	L38 Q39 A42 L44 Y48 P455	P36-L38 PolarHBondContact O-N 2.98Å; P36-L38 VanDerWaalsContact O-N 3.15Å; P36-Q39 WeakPolarHBondContact O-CB 3.35Å; P36-Q39 PolarHBondContact O-N 2.75Å; P36-A42 HydrophobicContact CB-CB 4.34Å; P36-L44 HydrophobicContact CB-CD1 4.04Å; P36-L44 HydrophobicContact CG-CD1 4.07Å; P36-Y48 WeakPolarHBondContact CD-O 3.47Å; P36-Y48 HydrophobicContact CG-CD1 4.29Å; P36-Y48 HydrophobicContact CG-CD2 4.49Å; P36-Y48 HydrophobicContact CG-CE1 3.78Å; P36-Y48 HydrophobicContact CG-CE2 4.02Å; P36-P455 HydrophobicContact CB-CG 4.32Å; P36-P455 HydrophobicContact CG-CG 4.1Å
37	G	97.1	Very high	96.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-68.2	-6.2	176	0	0	0	0	0	114.6	G35 Y48 Y103	G35-G37 VanDerWaalsContact C-N 3.25Å; G35-G37 PolarHBondContact O-N 2.71Å; G37-Y48 VanDerWaalsContact CA-O 3.26Å; G37-Y48 WeakPolarHBondContact CA-O 3.34Å; G37-Y48 PolarHBondContact N-O 3.16Å; G37-Y103 PolarHBondContact O-OH 3.46Å
38	L	97.1	Very high	96.5	Very high	31 Å²	31	32.5 Å²	32.5	16%	0.162	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-100.2	7.6	170.9	-62	176.4	0	0	0	112.5	A33 G35 P36 F49 V115 Y129	A33-L38 HydrophobicContact CB-CD1 4.05Å; G35-L38 PolarHBondContact O-N 2.97Å; G35-L38 VanDerWaalsContact O-N 3.12Å; P36-L38 PolarHBondContact O-N 2.98Å; P36-L38 VanDerWaalsContact O-N 3.15Å; L38-F49 HydrophobicContact CD1-CB 4.12Å; L38-F49 HydrophobicContact CD1-CD2 3.93Å; L38-F49 HydrophobicContact CD1-CG 4.04Å; L38-F49 HydrophobicContact CD2-CD1 3.88Å; L38-F49 HydrophobicContact CD2-CD2 4.21Å; L38-F49 HydrophobicContact CD2-CE1 3.99Å; L38-F49 HydrophobicContact CD2-CE2 4.3Å; L38-F49 HydrophobicContact CD2-CG 3.99Å; L38-F49 HydrophobicContact CD2-CZ 4.18Å; L38-F49 HydrophobicContact CG-CB 3.85Å; L38-F49 HydrophobicContact CG-CD1 4.05Å; L38-F49 HydrophobicContact CG-CD2 4.11Å; L38-F49 HydrophobicContact CG-CG 3.76Å; L38-V115 HydrophobicContact CD2-CB 4.35Å; L38-V115 HydrophobicContact CD2-CG1 4.09Å; L38-V115 HydrophobicContact CD2-CG2 4.45Å; L38-Y129 HydrophobicContact CD1-CD1 3.86Å; L38-Y129 HydrophobicContact CD1-CE1 3.92Å; L38-Y129 HydrophobicContact CD1-CG 4.41Å; L38-Y129 HydrophobicContact CD2-CD1 4.21Å; L38-Y129 HydrophobicContact CD2-CD2 4.38Å; L38-Y129 HydrophobicContact CD2-CG 3.97Å
39	Q	95.6	Very high	96.7	Very high	78 Å²	78	32.4 Å²	32.4	36%	0.364	17%	0.169	S	C	.	.			trans	-110.1	125.8	178.3	-56.2	-176.6	18.3	0	0	110.5	P36 T41 A42 R47 T153	P36-Q39 WeakPolarHBondContact O-CB 3.35Å; P36-Q39 PolarHBondContact O-N 2.75Å; Q39-T41 VanDerWaalsContact C-N 3.35Å; Q39-T41 PolarHBondContact O-N 3.09Å; Q39-A42 HydrophobicContact CB-CB 4.06Å; Q39-A42 PolarHBondContact O-N 2.92Å; Q39-R47 PolarHBondContact O-NH1 3.37Å; Q39-T153 PolarHBondContact OE1-O 3.24Å
40	A	95.4	Very high	96.8	Very high	18 Å²	18	29.2 Å²	29.2	15%	0.149	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-45	-178.6	0	0	0	0	0	112.3	A42 R47 L131 K132 V135	A40-A42 VanDerWaalsContact C-N 3.35Å; A40-A42 PolarHBondContact O-N 3.15Å; A40-R47 PolarHBondContact O-NH1 2.95Å; A40-R47 PolarHBondContact O-NH2 3.18Å; A40-L131 HydrophobicContact CB-CB 4.1Å; A40-K132 WeakPolarHBondContact CB-O 3.4Å; A40-V135 HydrophobicContact CB-CG2 3.96Å
41	T	93.9	Very high	96.8	Very high	71 Å²	71	23 Å²	23	44%	0.436	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-18	-174	51.8	0	0	0	0	114.4	Q39 V43 T153	Q39-T41 VanDerWaalsContact C-N 3.35Å; Q39-T41 PolarHBondContact O-N 3.09Å; T41-V43 PolarHBondContact O-N 3.42Å; T41-T153 VanDerWaalsContact OG1-CG2 3.24Å; T41-T153 WeakPolarHBondContact OG1-CG2 3.25Å
42	A	95.2	Very high	96.8	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	13%	0.127	C	C	.	.			trans	-76.1	107.6	179.4	0	0	0	0	0	110.7	P36 Q39 A40 R47 T153 L154	P36-A42 HydrophobicContact CB-CB 4.34Å; Q39-A42 HydrophobicContact CB-CB 4.06Å; Q39-A42 PolarHBondContact O-N 2.92Å; A40-A42 VanDerWaalsContact C-N 3.35Å; A40-A42 PolarHBondContact O-N 3.15Å; A42-R47 PolarHBondContact O-NH1 3.04Å; A42-R47 PolarHBondContact O-NH2 3Å; A42-T153 HydrophobicContact CB-CG2 4.05Å; A42-L154 HydrophobicContact CB-CD2 4.24Å
43	V	95.6	Very high	96.7	Very high	6 Å²	6	20 Å²	20	4%	0.036	11%	0.107	C	C	.	.			trans	-98.2	115.9	179.4	-173.2	0	0	0	0	109.6	T41 Y136 K228	T41-V43 PolarHBondContact O-N 3.42Å; V43-Y136 HydrophobicContact CG2-CD2 4.47Å; V43-K228 HydrophobicContact CB-CG 4.17Å; V43-K228 HydrophobicContact CG1-CG 4.09Å; V43-K228 WeakPolarHBondContact O-CD 3.41Å; V43-K228 WeakPolarHBondContact O-CE 3.37Å
44	L	96.8	Very high	96.6	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	10%	0.103	C	C	.	.			trans	-137.2	152.3	-179.4	-65.4	172.2	0	0	0	110.4	P36 V46 Y48 L154 P454 P455 F458	P36-L44 HydrophobicContact CB-CD1 4.04Å; P36-L44 HydrophobicContact CG-CD1 4.07Å; L44-V46 VanDerWaalsContact C-N 3.29Å; L44-V46 WeakPolarHBondContact CB-O 3.26Å; L44-V46 PolarHBondContact O-N 3.23Å; L44-Y48 HydrophobicContact CD1-CD1 4.44Å; L44-Y48 HydrophobicContact CD1-CE1 4.11Å; L44-L154 HydrophobicContact CD2-CD2 4.43Å; L44-P454 HydrophobicContact CD2-CB 4.34Å; L44-P455 HydrophobicContact CD1-CG 3.98Å; L44-P455 HydrophobicContact CD2-CG 4.22Å; L44-F458 HydrophobicContact CD2-CD2 3.84Å; L44-F458 HydrophobicContact CD2-CE2 3.94Å
45	P	95.9	Very high	96.3	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.019	9%	0.085	C	C	.	.	S	Bend	trans	-54.5	-46.1	173.9	-23.4	29.7	0	0	0	112.8	E138 L283 F458	P45-E138 WeakPolarHBondContact CA-OE2 3.48Å; P45-E138 HydrophobicContact CB-CG 4.17Å; P45-E138 VanDerWaalsContact CD-OE2 3.24Å; P45-E138 WeakPolarHBondContact CD-OE2 3.43Å; P45-E138 HydrophobicContact CG-CG 4.31Å; P45-E138 WeakPolarHBondContact CG-OE2 3.32Å; P45-L283 HydrophobicContact CG-CD2 3.79Å; P45-F458 HydrophobicContact CG-CE2 4.16Å; P45-F458 HydrophobicContact CG-CZ 3.93Å
46	V	97.1	Very high	96	Very high	4 Å²	4	17 Å²	17	2%	0.024	10%	0.099	C	C	.	.	S	Bend	trans	-122.5	122.9	170.3	173.2	0	0	0	0	107.7	L44 R102 A285 M286 L294	L44-V46 VanDerWaalsContact C-N 3.29Å; L44-V46 WeakPolarHBondContact CB-O 3.26Å; L44-V46 PolarHBondContact O-N 3.23Å; V46-R102 HydrophobicContact CG1-CB 3.92Å; V46-A285 HydrophobicContact CB-CB 4.41Å; V46-A285 HydrophobicContact CG2-CB 3.68Å; V46-A285 WeakPolarHBondContact CG2-O 3.42Å; V46-M286 HydrophobicContact CB-SD 4.47Å; V46-M286 HydrophobicContact CG1-SD 3.52Å; V46-M286 VanDerWaalsContact CG1-SD 3.52Å; V46-M286 HydrophobicContact CG2-CB 4.15Å; V46-M286 HydrophobicContact CG2-CG 4.21Å; V46-M286 HydrophobicContact CG2-SD 4.05Å; V46-L294 HydrophobicContact CB-CD1 4.45Å; V46-L294 HydrophobicContact CG1-CD1 4.04Å
47	R	97.7	Very high	95.8	Very high	5 Å²	5	20.7 Å²	20.7	2%	0.019	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	138	172.2	-69.3	178.8	174.6	-106.1	1.4	108.4	Q39 A40 A42 R102 Y103 Y136	Q39-R47 PolarHBondContact O-NH1 3.37Å; A40-R47 PolarHBondContact O-NH1 2.95Å; A40-R47 PolarHBondContact O-NH2 3.18Å; A42-R47 PolarHBondContact O-NH1 3.04Å; A42-R47 PolarHBondContact O-NH2 3Å; R47-R102 CarbonylContact O-C 3.47Å; R47-R102 WeakPolarHBondContact O-CA 3.44Å; R47-Y103 HydrophobicContact CB-CD1 3.96Å; R47-Y103 HydrophobicContact CB-CD2 4.13Å; R47-Y103 HydrophobicContact CB-CE1 3.5Å; R47-Y103 HydrophobicContact CB-CE2 3.72Å; R47-Y103 HydrophobicContact CB-CG 4.26Å; R47-Y103 VanDerWaalsContact CD-CE2 3.5Å; R47-Y103 VanDerWaalsContact CD-OH 3.26Å; R47-Y103 WeakPolarHBondContact CD-OH 3.43Å; R47-Y103 HydrophobicContact CG-CE2 4.2Å; R47-Y103 PolarHBondContact N-O 3.37Å; R47-Y103 PolarHBondContact O-N 2.89Å; R47-Y136 PolarHBondContact NH2-O 2.67Å
48	Y	98.3	Very high	95.6	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153.9	-177.8	71.5	-86.7	0	0	0	112.1	P36 G37 L44 F50 L100 V101 L294 Q453 P454 P455	P36-Y48 WeakPolarHBondContact CD-O 3.47Å; P36-Y48 HydrophobicContact CG-CD1 4.29Å; P36-Y48 HydrophobicContact CG-CD2 4.49Å; P36-Y48 HydrophobicContact CG-CE1 3.78Å; P36-Y48 HydrophobicContact CG-CE2 4.02Å; G37-Y48 VanDerWaalsContact CA-O 3.26Å; G37-Y48 WeakPolarHBondContact CA-O 3.34Å; G37-Y48 PolarHBondContact N-O 3.16Å; L44-Y48 HydrophobicContact CD1-CD1 4.44Å; L44-Y48 HydrophobicContact CD1-CE1 4.11Å; Y48-F50 HydrophobicContact CD2-CE2 4.35Å; Y48-F50 HydrophobicContact CD2-CZ 4.19Å; Y48-F50 AromaticContact CE2-CE2 3.88Å; Y48-F50 HydrophobicContact CE2-CE2 3.88Å; Y48-F50 AromaticContact CE2-CZ 3.77Å; Y48-F50 HydrophobicContact CE2-CZ 3.77Å; Y48-L100 HydrophobicContact CD2-CD1 3.56Å; Y48-L100 HydrophobicContact CE2-CD1 4.48Å; Y48-L100 HydrophobicContact CG-CD1 4.13Å; Y48-V101 CarbonylContact C-O 3.59Å; Y48-V101 WeakPolarHBondContact CA-O 3.34Å; Y48-V101 WeakPolarHBondContact CB-O 3.28Å; Y48-L294 HydrophobicContact CD1-CD1 3.95Å; Y48-L294 HydrophobicContact CD1-CD2 4.29Å; Y48-L294 HydrophobicContact CD2-CD2 4.46Å; Y48-L294 HydrophobicContact CE1-CD2 4.39Å; Y48-L294 HydrophobicContact CG-CD1 4.2Å; Y48-L294 HydrophobicContact CG-CD2 4.33Å; Y48-Q453 WeakPolarHBondContact OH-CB 3.28Å; Y48-Q453 PolarHBondContact OH-OE1 3.04Å; Y48-P454 HydrophobicContact CD1-CG 4.48Å; Y48-P454 HydrophobicContact CE1-CB 4.25Å; Y48-P454 HydrophobicContact CE1-CG 3.84Å; Y48-P455 WeakPolarHBondContact OH-CD 3.14Å
49	F	98.4	Very high	95.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	162.5	173.4	63.8	-86.9	0	0	0	109.9	A33 W34 L38 L51 V73 V101 Y103 V115 V117	A33-F49 HydrophobicContact CB-CD2 4.31Å; A33-F49 HydrophobicContact CB-CE2 4.45Å; W34-F49 CarbonylContact O-C 3.6Å; W34-F49 WeakPolarHBondContact O-CA 3.49Å; W34-F49 WeakPolarHBondContact O-CB 3.44Å; L38-F49 HydrophobicContact CD1-CB 4.12Å; L38-F49 HydrophobicContact CD1-CD2 3.93Å; L38-F49 HydrophobicContact CD1-CG 4.04Å; L38-F49 HydrophobicContact CD2-CD1 3.88Å; L38-F49 HydrophobicContact CD2-CD2 4.21Å; L38-F49 HydrophobicContact CD2-CE1 3.99Å; L38-F49 HydrophobicContact CD2-CE2 4.3Å; L38-F49 HydrophobicContact CD2-CG 3.99Å; L38-F49 HydrophobicContact CD2-CZ 4.18Å; L38-F49 HydrophobicContact CG-CB 3.85Å; L38-F49 HydrophobicContact CG-CD1 4.05Å; L38-F49 HydrophobicContact CG-CD2 4.11Å; L38-F49 HydrophobicContact CG-CG 3.76Å; F49-L51 HydrophobicContact CD2-CD2 4.17Å; F49-L51 HydrophobicContact CE2-CD2 3.77Å; F49-L51 HydrophobicContact CE2-CG 4.31Å; F49-V73 HydrophobicContact CZ-CG1 4.18Å; F49-V101 HydrophobicContact CD1-CB 3.97Å; F49-V101 HydrophobicContact CD1-CG1 4.09Å; F49-V101 HydrophobicContact CD2-CB 4.12Å; F49-V101 HydrophobicContact CD2-CG2 4.2Å; F49-V101 HydrophobicContact CE1-CB 3.68Å; F49-V101 HydrophobicContact CE1-CG1 3.38Å; F49-V101 HydrophobicContact CE1-CG2 4.38Å; F49-V101 HydrophobicContact CE2-CB 3.85Å; F49-V101 HydrophobicContact CE2-CG1 4.2Å; F49-V101 HydrophobicContact CE2-CG2 3.7Å; F49-V101 HydrophobicContact CG-CB 4.19Å; F49-V101 HydrophobicContact CZ-CB 3.62Å; F49-V101 HydrophobicContact CZ-CG1 3.46Å; F49-V101 VanDerWaalsContact CZ-CG1 3.46Å; F49-V101 HydrophobicContact CZ-CG2 3.81Å; F49-V101 PolarHBondContact N-O 3.09Å; F49-V101 PolarHBondContact O-N 2.98Å; F49-Y103 HydrophobicContact CD1-CE1 4.45Å; F49-Y103 HydrophobicContact CE1-CE1 4.43Å; F49-V115 HydrophobicContact CE1-CG1 4.01Å; F49-V115 HydrophobicContact CZ-CG1 3.86Å; F49-V117 HydrophobicContact CE2-CG2 3.95Å; F49-V117 HydrophobicContact CZ-CG2 3.86Å
50	F	97.9	Very high	95.5	Very high	15 Å²	15	28.6 Å²	28.6	7%	0.066	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	148.7	-178.2	-55.6	-77.1	0	0	0	110.3	A33 W34 Y48 F99 L100	A33-F50 VanDerWaalsContact CA-O 3.22Å; A33-F50 WeakPolarHBondContact CA-O 3.27Å; W34-F50 HydrophobicContact CD2-CB 3.95Å; W34-F50 AromaticContact CE2-CD2 3.95Å; W34-F50 HydrophobicContact CE3-CB 4.15Å; W34-F50 HydrophobicContact CH2-CB 3.76Å; W34-F50 HydrophobicContact CZ2-CB 3.55Å; W34-F50 HydrophobicContact CZ2-CD2 4.34Å; W34-F50 HydrophobicContact CZ2-CG 4.1Å; W34-F50 HydrophobicContact CZ3-CB 4.05Å; W34-F50 PolarHBondContact N-O 2.88Å; W34-F50 VanDerWaalsContact N-O 3.07Å; W34-F50 AromaticContact NE1-CD2 3.63Å; W34-F50 PolarHBondContact O-N 2.96Å; Y48-F50 HydrophobicContact CD2-CE2 4.35Å; Y48-F50 HydrophobicContact CD2-CZ 4.19Å; Y48-F50 AromaticContact CE2-CE2 3.88Å; Y48-F50 HydrophobicContact CE2-CE2 3.88Å; Y48-F50 AromaticContact CE2-CZ 3.77Å; Y48-F50 HydrophobicContact CE2-CZ 3.77Å; F50-F99 CarbonylContact C-O 3.54Å; F50-F99 VanDerWaalsContact CA-O 3.27Å; F50-F99 WeakPolarHBondContact CA-O 3.37Å; F50-L100 HydrophobicContact CD1-CD1 3.9Å; F50-L100 HydrophobicContact CE1-CD1 3.65Å; F50-L100 HydrophobicContact CZ-CD1 4.31Å
51	L	97.8	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.4	165	-57	174.2	0	0	0	108.5	L32 A33 F49 F71 T98 F99 V101 V117 V124	L32-L51 CarbonylContact O-C 3.47Å; L32-L51 VanDerWaalsContact O-CA 3.24Å; L32-L51 WeakPolarHBondContact O-CA 3.43Å; A33-L51 HydrophobicContact CB-CD2 3.53Å; F49-L51 HydrophobicContact CD2-CD2 4.17Å; F49-L51 HydrophobicContact CE2-CD2 3.77Å; F49-L51 HydrophobicContact CE2-CG 4.31Å; L51-F71 HydrophobicContact CD1-CB 4.19Å; L51-F71 HydrophobicContact CD1-CD1 3.56Å; L51-F71 HydrophobicContact CD1-CD2 4.36Å; L51-F71 HydrophobicContact CD1-CE1 3.96Å; L51-F71 HydrophobicContact CD1-CG 3.78Å; L51-T98 CarbonylContact O-C 3.58Å; L51-T98 WeakPolarHBondContact O-CA 3.45Å; L51-F99 HydrophobicContact CB-CB 4.18Å; L51-F99 HydrophobicContact CB-CD2 4.46Å; L51-F99 PolarHBondContact N-O 3.19Å; L51-F99 PolarHBondContact O-N 3.08Å; L51-V101 HydrophobicContact CD1-CG2 3.62Å; L51-V101 HydrophobicContact CG-CG2 3.8Å; L51-V117 HydrophobicContact CD1-CG1 3.91Å; L51-V117 HydrophobicContact CD2-CG1 3.86Å; L51-V124 HydrophobicContact CD2-CG1 4.34Å
52	Q	96.8	Very high	95.3	Very high	17 Å²	17	31.2 Å²	31.2	8%	0.079	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.4	168	172.2	66.7	67.2	0	0	107.7	S31 L32 W34 V54 N60 L61 G97 T98	S31-Q52 CarbonylContact C-O 3.56Å; S31-Q52 VanDerWaalsContact CA-O 3.27Å; S31-Q52 WeakPolarHBondContact CA-O 3.31Å; S31-Q52 WeakPolarHBondContact CB-O 3.4Å; L32-Q52 HydrophobicContact CB-CB 4.06Å; L32-Q52 HydrophobicContact CD1-CB 4.35Å; L32-Q52 HydrophobicContact CD1-CG 4.4Å; L32-Q52 HydrophobicContact CG-CB 4.34Å; L32-Q52 PolarHBondContact N-O 3.25Å; L32-Q52 PolarHBondContact O-N 2.95Å; W34-Q52 HydrophobicContact CH2-CB 3.83Å; W34-Q52 HydrophobicContact CZ3-CB 3.55Å; Q52-V54 HydrophobicContact CG-CG2 3.99Å; Q52-N60 HydrophobicContact CG-CB 4.11Å; Q52-N60 WeakPolarHBondContact CG-OD1 3.43Å; Q52-L61 PolarHBondContact NE2-O 2.88Å; Q52-G97 PolarHBondContact NE2-O 3.1Å; Q52-T98 VanDerWaalsContact OE1-CG2 3.3Å
53	A	95.5	Very high	95	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.198	C	C	.	.			trans	-72.5	133	170.3	0	0	0	0	0	109.8	V26 L61 F71 G97 F99	V26-A53 HydrophobicContact CG1-CB 4.18Å; V26-A53 HydrophobicContact CG2-CB 4.15Å; A53-L61 HydrophobicContact CB-CB 4.42Å; A53-L61 HydrophobicContact CB-CD1 3.88Å; A53-L61 HydrophobicContact CB-CG 4.32Å; A53-L61 PolarHBondContact O-N 2.75Å; A53-F71 HydrophobicContact CB-CZ 4.37Å; A53-G97 PolarHBondContact N-O 3.06Å; A53-F99 HydrophobicContact CB-CE2 4.04Å
54	V	95.1	Very high	94.5	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.024	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-126.1	140	-177.9	177.3	0	0	0	0	108.9	V26 S27 R30 S31 L32 Q52 G58 R59 N60	V26-V54 WeakPolarHBondContact CA-O 3.3Å; S27-V54 PolarHBondContact N-O 3.41Å; R30-V54 HydrophobicContact CB-CB 4.2Å; R30-V54 HydrophobicContact CB-CG1 3.8Å; R30-V54 WeakPolarHBondContact O-CB 3.36Å; R30-V54 WeakPolarHBondContact O-CG2 3.45Å; S31-V54 PolarHBondContact OG-N 2.95Å; S31-V54 VanDerWaalsContact OG-N 3.14Å; L32-V54 HydrophobicContact CG-CG2 4.35Å; Q52-V54 HydrophobicContact CG-CG2 3.99Å; V54-G58 VanDerWaalsContact CG1-C 3.42Å; V54-R59 WeakPolarHBondContact CA-O 3.31Å; V54-N60 WeakPolarHBondContact CG2-OD1 3.41Å
55	D	92.7	Very high	93.5	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.053	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-75.3	175.3	177.4	71.3	14.7	0	0	0	112.8	A24 D57 G58 R59 L61	A24-D55 HydrophobicContact CB-CB 3.84Å; D55-D57 PolarHBondContact O-N 2.77Å; D55-D57 VanDerWaalsContact OD1-C 3.32Å; D55-D57 VanDerWaalsContact OD1-CA 3.32Å; D55-D57 WeakPolarHBondContact OD1-CA 3.37Å; D55-D57 WeakPolarHBondContact OD1-CB 3.46Å; D55-D57 PolarHBondContact OD1-N 2.73Å; D55-G58 PolarHBondContact O-N 2.93Å; D55-G58 VanDerWaalsContact O-N 3.13Å; D55-G58 PolarHBondContact OD1-N 3.44Å; D55-R59 PolarHBondContact N-O 2.95Å; D55-R59 PolarHBondContact OD1-N 3.2Å; D55-R59 WeakPolarHBondContact OD2-CB 3.41Å; D55-R59 IonicContact OD2-NH1 2.8Å; D55-R59 PolarHBondContact OD2-NH1 3.46Å; D55-R59 VanDerWaalsContact OD2-NH1 3.12Å; D55-L61 HydrophobicContact CB-CD2 4.08Å
56	S	90.6	Very high	92.2	Very high	71 Å²	71	42.3 Å²	42.3	50%	0.497	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	175.7	52.3	0	0	0	0	113.8	R30 G58	R30-S56 PolarHBondContact NE-O 3.02Å; R30-S56 PolarHBondContact NH1-O 2.92Å; R30-S56 VanDerWaalsContact NH1-O 3.16Å; S56-G58 VanDerWaalsContact C-N 3.32Å
57	D	92.4	Very high	90.7	Very high	95 Å²	95	45.4 Å²	45.4	51%	0.508	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.9	-179.4	-60.5	-22	0	0	0	112	R30 D55 R59	R30-D57 PolarHBondContact NH1-O 2.95Å; D55-D57 PolarHBondContact O-N 2.77Å; D55-D57 VanDerWaalsContact OD1-C 3.32Å; D55-D57 VanDerWaalsContact OD1-CA 3.32Å; D55-D57 WeakPolarHBondContact OD1-CA 3.37Å; D55-D57 WeakPolarHBondContact OD1-CB 3.46Å; D55-D57 PolarHBondContact OD1-N 2.73Å; D57-R59 HydrophobicContact CB-CG 4.36Å; D57-R59 IonicContact OD2-CZ 3.43Å; D57-R59 IonicContact OD2-NH1 2.65Å; D57-R59 PolarHBondContact OD2-NH1 3.29Å; D57-R59 IonicContact OD2-NH2 3.86Å; D57-R59 PolarHBondContact OD2-NH2 2.95Å
58	G	92.3	Very high	88.9	Confident	39 Å²	39	53.7 Å²	53.7	40%	0.402	32%	0.32	S	S	.	.	S	Bend	trans	89.2	15.5	-179.2	0	0	0	0	0	114.2	R30 V54 D55 S56	R30-G58 VanDerWaalsContact NH1-N 3.19Å; V54-G58 VanDerWaalsContact CG1-C 3.42Å; D55-G58 PolarHBondContact O-N 2.93Å; D55-G58 VanDerWaalsContact O-N 3.13Å; D55-G58 PolarHBondContact OD1-N 3.44Å; S56-G58 VanDerWaalsContact C-N 3.32Å
59	R	95.3	Very high	87.4	Confident	149 Å²	149	56 Å²	56	56%	0.562	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-91.3	135.8	176.8	-46.1	-174.4	-160.9	93.9	4.1	110.6	V54 D55 D57 L61	V54-R59 WeakPolarHBondContact CA-O 3.31Å; D55-R59 PolarHBondContact N-O 2.95Å; D55-R59 PolarHBondContact OD1-N 3.2Å; D55-R59 WeakPolarHBondContact OD2-CB 3.41Å; D55-R59 IonicContact OD2-NH1 2.8Å; D55-R59 PolarHBondContact OD2-NH1 3.46Å; D55-R59 VanDerWaalsContact OD2-NH1 3.12Å; D57-R59 HydrophobicContact CB-CG 4.36Å; D57-R59 IonicContact OD2-CZ 3.43Å; D57-R59 IonicContact OD2-NH1 2.65Å; D57-R59 PolarHBondContact OD2-NH1 3.29Å; D57-R59 IonicContact OD2-NH2 3.86Å; D57-R59 PolarHBondContact OD2-NH2 2.95Å; R59-L61 PolarHBondContact O-N 3.43Å
60	N	95.9	Very high	86.5	Confident	88 Å²	88	61.2 Å²	61.2	47%	0.471	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-63.1	127.5	172.4	-72.1	-5	0	0	0	109.7	Q52 V54	Q52-N60 HydrophobicContact CG-CB 4.11Å; Q52-N60 WeakPolarHBondContact CG-OD1 3.43Å; V54-N60 WeakPolarHBondContact CG2-OD1 3.41Å
61	L	93.3	Very high	86.3	Confident	22 Å²	22	61.1 Å²	61.1	12%	0.115	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-67.5	135.1	169.4	-61	-172	0	0	0	109.4	A24 V26 Q52 A53 D55 R59 P65 G97	A24-L61 HydrophobicContact CB-CD2 3.98Å; V26-L61 HydrophobicContact CG2-CD1 3.82Å; Q52-L61 PolarHBondContact NE2-O 2.88Å; A53-L61 HydrophobicContact CB-CB 4.42Å; A53-L61 HydrophobicContact CB-CD1 3.88Å; A53-L61 HydrophobicContact CB-CG 4.32Å; A53-L61 PolarHBondContact O-N 2.75Å; D55-L61 HydrophobicContact CB-CD2 4.08Å; R59-L61 PolarHBondContact O-N 3.43Å; L61-P65 HydrophobicContact CD1-CG 3.88Å; L61-G97 WeakPolarHBondContact O-CA 3.41Å
62	T	90.9	Very high	86.2	Confident	122 Å²	122	67.3 Å²	67.3	75%	0.748	39%	0.385	S	S	*	.	S	Bend	trans	-101.7	3.3	176.1	58	0	0	0	0	112.5	D96	T62-D96 CarbonylContact C-O 3.54Å; T62-D96 CarbonylContact O-C 3.55Å
63	S	88.8	Confident	86.2	Confident	74 Å²	74	67.4 Å²	67.4	52%	0.517	39%	0.387	S	S	.	.	S	Bend	trans	-147	144.5	176.9	59.1	0	0	0	0	108.8
64	S	85.2	Confident	86.3	Confident	23 Å²	23	70 Å²	70	16%	0.161	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-69.8	140.2	-178.8	-55.8	0	0	0	0	111.3	D93 N95	S64-D93 WeakPolarHBondContact CB-OD1 3.43Å; S64-D93 WeakPolarHBondContact CB-OD2 3.13Å; S64-D93 VanDerWaalsContact OG-CG 3.24Å; S64-D93 PolarHBondContact OG-OD1 3.34Å; S64-D93 PolarHBondContact OG-OD2 2.73Å; S64-N95 WeakPolarHBondContact OG-CA 3.5Å
65	P	76.2	Confident	86.5	Confident	26 Å²	26	70.5 Å²	70.5	17%	0.169	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-59	141.4	179.9	-21.3	30.2	0	0	0	111.9	V26 L61 G67	V26-P65 HydrophobicContact CG2-CB 4.3Å; V26-P65 HydrophobicContact CG2-CG 3.4Å; L61-P65 HydrophobicContact CD1-CG 3.88Å; P65-G67 PolarHBondContact O-N 2.96Å
66	P	67.9	Low	86.6	Confident	124 Å²	124	74.5 Å²	74.5	81%	0.805	42%	0.423	S	S	*	.	S	Bend	trans	-63.4	135.3	177.2	23.5	-30.7	0	0	0	111.6
67	G	65.9	Low	86.8	Confident	68 Å²	68	71.9 Å²	71.9	70%	0.701	40%	0.404	S	S	*	.	S	Bend	trans	110.7	177.5	-177.8	0	0	0	0	0	113.5	P65 T69	P65-G67 PolarHBondContact O-N 2.96Å; G67-T69 PolarHBondContact O-N 3.42Å
68	Q	60.4	Low	87	Confident	179 Å²	179	70.1 Å²	70.1	84%	0.836	39%	0.394	S	S	*	.	S	Bend	trans	-69	126.5	172.8	-78.1	-177.3	5.6	0	0	109.6	Q70	Q68-Q70 PolarHBondContact O-N 2.86Å
69	T	66.6	Low	87	Confident	49 Å²	49	69.9 Å²	69.9	30%	0.301	39%	0.387	S	S	.	.			trans	-52.3	122.5	178.4	55.4	0	0	0	0	111.2	G67 F71 D93 F99	G67-T69 PolarHBondContact O-N 3.42Å; T69-F71 VanDerWaalsContact C-N 3.26Å; T69-F71 PolarHBondContact O-N 3.09Å; T69-D93 HydrophobicContact CG2-CB 4.39Å; T69-F99 HydrophobicContact CG2-CD1 4.03Å; T69-F99 HydrophobicContact CG2-CE1 3.28Å; T69-F99 HydrophobicContact CG2-CZ 4.06Å
70	Q	80.1	Confident	86.7	Confident	111 Å²	111	69.2 Å²	69.2	52%	0.519	40%	0.402	S	S	.	.			trans	-85.9	9	-176.7	-59.2	-173.5	15	0	0	114	Q68 K72 Y119 G120	Q68-Q70 PolarHBondContact O-N 2.86Å; Q70-K72 PolarHBondContact O-N 3.45Å; Q70-Y119 HydrophobicContact CB-CD2 4.13Å; Q70-Y119 HydrophobicContact CB-CE2 3.98Å; Q70-G120 VanDerWaalsContact OE1-CA 3.28Å
71	F	92.9	Very high	86.4	Confident	12 Å²	12	74.7 Å²	74.7	5%	0.053	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	118.3	176	-72.8	-70.9	0	0	0	110.3	L51 A53 T69 P91 F99 V117 L118 Y119 V124	L51-F71 HydrophobicContact CD1-CB 4.19Å; L51-F71 HydrophobicContact CD1-CD1 3.56Å; L51-F71 HydrophobicContact CD1-CD2 4.36Å; L51-F71 HydrophobicContact CD1-CE1 3.96Å; L51-F71 HydrophobicContact CD1-CG 3.78Å; A53-F71 HydrophobicContact CB-CZ 4.37Å; T69-F71 VanDerWaalsContact C-N 3.26Å; T69-F71 PolarHBondContact O-N 3.09Å; F71-P91 HydrophobicContact CB-CG 4Å; F71-F99 HydrophobicContact CD2-CD1 4.3Å; F71-F99 AromaticContact CD2-CD2 3.88Å; F71-F99 HydrophobicContact CD2-CD2 3.88Å; F71-F99 HydrophobicContact CD2-CE1 4.5Å; F71-F99 HydrophobicContact CD2-CE2 4.09Å; F71-F99 HydrophobicContact CD2-CG 4.01Å; F71-F99 HydrophobicContact CD2-CZ 4.39Å; F71-F99 AromaticContact CE2-CD2 3.45Å; F71-F99 HydrophobicContact CE2-CD2 3.45Å; F71-F99 VanDerWaalsContact CE2-CD2 3.45Å; F71-F99 AromaticContact CE2-CE2 3.45Å; F71-F99 HydrophobicContact CE2-CE2 3.45Å; F71-F99 VanDerWaalsContact CE2-CE2 3.45Å; F71-F99 HydrophobicContact CE2-CG 4.07Å; F71-F99 HydrophobicContact CE2-CZ 4.05Å; F71-F99 HydrophobicContact CZ-CD2 4.29Å; F71-F99 HydrophobicContact CZ-CE2 4.4Å; F71-V117 HydrophobicContact CD1-CG1 4.41Å; F71-L118 CarbonylContact C-O 3.4Å; F71-L118 VanDerWaalsContact CA-O 3.29Å; F71-L118 WeakPolarHBondContact CA-O 3.47Å; F71-Y119 AromaticContact CD1-CD2 3.89Å; F71-Y119 HydrophobicContact CD1-CD2 3.89Å; F71-Y119 HydrophobicContact CD1-CG 4.46Å; F71-Y119 AromaticContact CD2-CD2 4Å; F71-Y119 HydrophobicContact CD2-CD2 4Å; F71-Y119 HydrophobicContact CD2-CE2 4.42Å; F71-Y119 AromaticContact CE1-CD2 3.72Å; F71-Y119 HydrophobicContact CE1-CD2 3.72Å; F71-Y119 HydrophobicContact CE1-CG 4.22Å; F71-Y119 AromaticContact CE2-CD2 3.8Å; F71-Y119 HydrophobicContact CE2-CD2 3.8Å; F71-Y119 HydrophobicContact CE2-CE2 4.12Å; F71-Y119 HydrophobicContact CG-CD2 4.04Å; F71-Y119 AromaticContact CZ-CD2 3.67Å; F71-Y119 HydrophobicContact CZ-CD2 3.67Å; F71-Y119 HydrophobicContact CZ-CE2 4.3Å; F71-Y119 HydrophobicContact CZ-CG 4.47Å; F71-V124 HydrophobicContact CD1-CG2 4.04Å; F71-V124 HydrophobicContact CE1-CG1 4.45Å; F71-V124 HydrophobicContact CE1-CG2 3.73Å
72	K	95.5	Very high	86.2	Confident	131 Å²	131	75.4 Å²	75.4	57%	0.57	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.5	172.1	-177.2	179	179.2	-178.9	0	108.5	Q70 L118	Q70-K72 PolarHBondContact O-N 3.45Å; K72-L118 HydrophobicContact CB-CB 4.42Å; K72-L118 PolarHBondContact N-O 3.42Å; K72-L118 PolarHBondContact O-N 3.43Å
73	V	97.8	Very high	86	Confident	18 Å²	18	75.1 Å²	75.1	11%	0.109	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.3	177.3	-174.7	0	0	0	0	109.4	F49 V75 V88 P91 V101 V115 E116 V117	F49-V73 HydrophobicContact CZ-CG1 4.18Å; V73-V75 HydrophobicContact CG1-CG2 4.18Å; V73-V88 HydrophobicContact CB-CG1 4.26Å; V73-V88 HydrophobicContact CG1-CG1 4.18Å; V73-P91 HydrophobicContact CG2-CG 3.99Å; V73-V101 HydrophobicContact CB-CG1 4.18Å; V73-V101 HydrophobicContact CG1-CG1 3.92Å; V73-V101 HydrophobicContact CG2-CG1 3.87Å; V73-V101 HydrophobicContact CG2-CG2 3.95Å; V73-V115 HydrophobicContact CG1-CG1 4.25Å; V73-E116 CarbonylContact C-O 3.53Å; V73-E116 VanDerWaalsContact CA-O 3.29Å; V73-E116 WeakPolarHBondContact CA-O 3.38Å; V73-V117 HydrophobicContact CG1-CG2 4.47Å; V73-V117 HydrophobicContact CG2-CG1 4.29Å; V73-V117 HydrophobicContact CG2-CG2 4.41Å
74	V	97.4	Very high	86.1	Confident	56 Å²	56	72.6 Å²	72.6	34%	0.339	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.3	173.2	-179.5	0	0	0	0	108.2	E116	V74-E116 HydrophobicContact CB-CB 4.35Å; V74-E116 PolarHBondContact N-O 2.9Å; V74-E116 PolarHBondContact O-N 3.17Å
75	V	97.8	Very high	86.4	Confident	13 Å²	13	78 Å²	78	8%	0.079	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126	176.4	-173.3	0	0	0	0	108.2	V73 I86 V88 Y103 L113 V115	V73-V75 HydrophobicContact CG1-CG2 4.18Å; V75-I86 HydrophobicContact CB-CD1 4.48Å; V75-I86 HydrophobicContact CB-CG2 4.25Å; V75-I86 HydrophobicContact CG1-CD1 3.81Å; V75-I86 HydrophobicContact CG1-CG2 4.27Å; V75-V88 HydrophobicContact CB-CG2 3.88Å; V75-V88 HydrophobicContact CG2-CG1 4.41Å; V75-V88 HydrophobicContact CG2-CG2 3.83Å; V75-Y103 HydrophobicContact CG1-CD2 4.24Å; V75-Y103 HydrophobicContact CG1-CE2 4.11Å; V75-Y103 HydrophobicContact CG2-CD1 4.33Å; V75-Y103 HydrophobicContact CG2-CG 4.23Å; V75-L113 HydrophobicContact CG1-CD1 3.94Å; V75-L113 HydrophobicContact CG1-CD2 4.35Å; V75-V115 HydrophobicContact CG1-CG2 4.1Å; V75-V115 HydrophobicContact CG2-CG1 4.22Å; V75-V115 HydrophobicContact CG2-CG2 4.2Å
76	K	95.9	Very high	87.3	Confident	95 Å²	95	78.2 Å²	78.2	41%	0.413	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	163.3	-179.5	64.7	-170.4	-173.2	-160.5	0	111.4	L113 K114 E116	K76-L113 WeakPolarHBondContact O-CA 3.48Å; K76-K114 HydrophobicContact CG-CB 4.25Å; K76-K114 PolarHBondContact N-O 3.41Å; K76-K114 VanDerWaalsContact N-O 3.11Å; K76-K114 PolarHBondContact O-N 3.48Å; K76-E116 WeakPolarHBondContact CE-OE2 3.4Å; K76-E116 IonicContact NZ-OE2 3.7Å; K76-E116 PolarHBondContact NZ-OE2 2.92Å
77	S	95.3	Very high	88.7	Confident	15 Å²	15	78.1 Å²	78.1	11%	0.105	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	148.6	171.8	177.9	0	0	0	0	111.4	S79 E82 G112	S77-S79 VanDerWaalsContact C-N 3.29Å; S77-S79 PolarHBondContact OG-N 2.71Å; S77-S79 PolarHBondContact OG-O 2.93Å; S77-E82 WeakPolarHBondContact CB-O 3.31Å; S77-E82 PolarHBondContact OG-OE2 2.8Å; S77-G112 WeakPolarHBondContact CA-O 3.5Å
78	L	95.2	Very high	90.1	Very high	59 Å²	59	76.8 Å²	76.8	31%	0.309	39%	0.387	S	S	.	.	S	Bend	trans	-68.6	-28.5	169.5	-72.6	171.6	0	0	0	112.6	A111 G112 K114 I130	L78-A111 HydrophobicContact CB-CB 4.41Å; L78-A111 WeakPolarHBondContact CD1-O 3.31Å; L78-G112 PolarHBondContact N-O 2.92Å; L78-K114 HydrophobicContact CD2-CB 3.78Å; L78-I130 HydrophobicContact CD1-CG2 3.74Å; L78-I130 HydrophobicContact CD2-CD1 3.87Å; L78-I130 HydrophobicContact CD2-CG2 3.84Å; L78-I130 HydrophobicContact CG-CG2 4.47Å
79	S	93.3	Very high	91.8	Very high	34 Å²	34	69.2 Å²	69.2	24%	0.238	35%	0.354	C	S	.	.	S	Bend	trans	-93.4	123.3	177.6	177.6	0	0	0	0	110.1	S77 K81 E82	S77-S79 VanDerWaalsContact C-N 3.29Å; S77-S79 PolarHBondContact OG-N 2.71Å; S77-S79 PolarHBondContact OG-O 2.93Å; S79-K81 PolarHBondContact O-N 2.87Å; S79-K81 VanDerWaalsContact O-N 3.16Å; S79-K81 PolarHBondContact OG-N 2.9Å; S79-E82 PolarHBondContact O-N 3.49Å
80	P	88	Confident	93.1	Very high	135 Å²	135	75 Å²	75	88%	0.877	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.1	175.2	29.5	-35	0	0	0	112.9	E82	P80-E82 VanDerWaalsContact C-N 3.33Å
81	K	90.1	Very high	93.8	Very high	203 Å²	203	70.3 Å²	70.3	88%	0.883	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.1	175.4	-59.8	-177	-179.6	-179.1	0	112.5	S79	S79-K81 PolarHBondContact O-N 2.87Å; S79-K81 VanDerWaalsContact O-N 3.16Å; S79-K81 PolarHBondContact OG-N 2.9Å
82	E	88.8	Confident	93.9	Very high	37 Å²	37	70.9 Å²	70.9	17%	0.173	36%	0.357	C	S	.	.			trans	-108	112.9	-178.3	-173.3	-175.3	-148.8	0	0	109.3	S77 S79 P80 V84 A109 H110 A111	S77-E82 WeakPolarHBondContact CB-O 3.31Å; S77-E82 PolarHBondContact OG-OE2 2.8Å; S79-E82 PolarHBondContact O-N 3.49Å; P80-E82 VanDerWaalsContact C-N 3.33Å; E82-V84 HydrophobicContact CG-CG2 3.78Å; E82-A109 WeakPolarHBondContact OE1-CA 3.32Å; E82-H110 WeakPolarHBondContact OE1-CB 3.45Å; E82-H110 IonicContact OE1-CD2 3.37Å; E82-H110 PolarHBondContact OE1-CD2 3.21Å; E82-H110 IonicContact OE1-CG 3.49Å; E82-H110 PolarHBondContact OE1-N 3.41Å; E82-A111 PolarHBondContact OE2-N 2.96Å
83	S	86.5	Confident	93.8	Very high	115 Å²	115	66.3 Å²	66.3	80%	0.804	34%	0.339	S	S	*	.			trans	-94.6	118.6	171.7	179.1	0	0	0	0	108.5
84	V	90.6	Very high	93.6	Very high	21 Å²	21	66.7 Å²	66.7	13%	0.127	34%	0.338	C	S	.	.			trans	-118.5	124.1	178.3	-176.7	0	0	0	0	108.2	E82 I86 M105 E107 A109	E82-V84 HydrophobicContact CG-CG2 3.78Å; V84-I86 HydrophobicContact CB-CD1 4.35Å; V84-I86 HydrophobicContact CB-CG1 4.3Å; V84-I86 HydrophobicContact CG1-CD1 4.04Å; V84-I86 HydrophobicContact CG1-CG1 3.77Å; V84-I86 PolarHBondContact O-N 2.84Å; V84-M105 HydrophobicContact CG1-CE 4.28Å; V84-E107 WeakPolarHBondContact CA-OE2 3.47Å; V84-E107 HydrophobicContact CG1-CB 3.87Å; V84-E107 WeakPolarHBondContact CG1-O 3.42Å; V84-A109 HydrophobicContact CG1-CB 4.39Å; V84-A109 HydrophobicContact CG2-CB 3.85Å
85	R	92.8	Very high	93.3	Very high	136 Å²	136	67.5 Å²	67.5	51%	0.513	34%	0.341	S	S	.	.			trans	-74	113.4	175.4	-175.1	177.6	62.4	172.1	-2.2	110.9	H106 E107	R85-H106 HydrophobicContact CB-CB 4.13Å; R85-H106 HydrophobicContact CG-CB 4.23Å; R85-H106 VanDerWaalsContact NE-CB 3.26Å; R85-H106 WeakPolarHBondContact O-CB 3.44Å; R85-H106 PolarHBondContact O-N 2.8Å; R85-E107 PolarHBondContact N-OE2 2.89Å
86	I	95.1	Very high	93	Very high	31 Å²	31	68.1 Å²	68.1	16%	0.159	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.6	-179.5	-51.4	176.5	0	0	0	109.6	V75 V84 V88 Y103 R104 M105 L113	V75-I86 HydrophobicContact CB-CD1 4.48Å; V75-I86 HydrophobicContact CB-CG2 4.25Å; V75-I86 HydrophobicContact CG1-CD1 3.81Å; V75-I86 HydrophobicContact CG1-CG2 4.27Å; V84-I86 HydrophobicContact CB-CD1 4.35Å; V84-I86 HydrophobicContact CB-CG1 4.3Å; V84-I86 HydrophobicContact CG1-CD1 4.04Å; V84-I86 HydrophobicContact CG1-CG1 3.77Å; V84-I86 PolarHBondContact O-N 2.84Å; I86-V88 HydrophobicContact CG2-CG2 3.89Å; I86-Y103 HydrophobicContact CG2-CD2 3.77Å; I86-Y103 HydrophobicContact CG2-CG 4.45Å; I86-R104 WeakPolarHBondContact CA-O 3.44Å; I86-M105 HydrophobicContact CG1-CG 4.34Å; I86-M105 HydrophobicContact CG2-CG 4.41Å; I86-L113 HydrophobicContact CD1-CD2 3.63Å
87	Y	96.3	Very high	92.8	Very high	122 Å²	122	63.6 Å²	63.6	48%	0.478	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.7	173.6	177.4	-124.1	0	0	0	110.5	P89 Y103 R104 M286	Y87-P89 HydrophobicContact CE1-CB 4.36Å; Y87-P89 HydrophobicContact CE1-CG 4.3Å; Y87-Y103 CarbonylContact O-C 3.47Å; Y87-Y103 WeakPolarHBondContact O-CA 3.5Å; Y87-Y103 WeakPolarHBondContact O-CB 3.21Å; Y87-R104 PolarHBondContact N-O 3.01Å; Y87-R104 PolarHBondContact O-N 3.17Å; Y87-M286 HydrophobicContact CD1-CE 3.39Å; Y87-M286 HydrophobicContact CE1-CE 3.69Å; Y87-M286 HydrophobicContact CG-CE 4.4Å
88	V	97.1	Very high	92.8	Very high	40 Å²	40	63.5 Å²	63.5	24%	0.242	32%	0.323	C	S	.	.			trans	-125.2	93.7	-178.4	-168.8	0	0	0	0	109.3	V73 V75 I86	V73-V88 HydrophobicContact CB-CG1 4.26Å; V73-V88 HydrophobicContact CG1-CG1 4.18Å; V75-V88 HydrophobicContact CB-CG2 3.88Å; V75-V88 HydrophobicContact CG2-CG1 4.41Å; V75-V88 HydrophobicContact CG2-CG2 3.83Å; I86-V88 HydrophobicContact CG2-CG2 3.89Å
89	P	95.2	Very high	92.8	Very high	21 Å²	21	60.7 Å²	60.7	14%	0.136	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-66.7	169.3	172.6	28.5	-37.2	0	0	0	111.8	Y87 R102 M286	Y87-P89 HydrophobicContact CE1-CB 4.36Å; Y87-P89 HydrophobicContact CE1-CG 4.3Å; P89-R102 WeakPolarHBondContact CD-O 3.36Å; P89-M286 HydrophobicContact CG-CE 3.57Å; P89-M286 HydrophobicContact CG-SD 4.1Å
90	K	94	Very high	93	Very high	171 Å²	171	59.1 Å²	59.1	74%	0.743	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-58.2	142.8	171.1	-68.6	-175.4	179	-178.3	0	110.3	L92	K90-L92 PolarHBondContact O-N 2.9Å
91	P	95.4	Very high	93.5	Very high	12 Å²	12	52.7 Å²	52.7	8%	0.078	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-54.1	138.8	171.6	-25.4	35.3	0	0	0	111.3	F71 V73 F99 V101	F71-P91 HydrophobicContact CB-CG 4Å; V73-P91 HydrophobicContact CG2-CG 3.99Å; P91-F99 HydrophobicContact CB-CB 4.29Å; P91-V101 HydrophobicContact CB-CG2 4.11Å; P91-V101 HydrophobicContact CG-CG2 4.08Å
92	L	94.7	Very high	93.8	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.12	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.2	175.6	-72.7	-177.9	0	0	0	110.1	K90 F99 L100 L294	K90-L92 PolarHBondContact O-N 2.9Å; L92-F99 CarbonylContact O-C 3.52Å; L92-F99 WeakPolarHBondContact O-CA 3.41Å; L92-L100 HydrophobicContact CB-CB 4.16Å; L92-L100 HydrophobicContact CD1-CD2 4.37Å; L92-L100 PolarHBondContact N-O 2.93Å; L92-L100 PolarHBondContact O-N 3.48Å; L92-L294 WeakPolarHBondContact CD1-O 3.4Å
93	D	93.6	Very high	94.3	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.193	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.7	174.4	-169.9	-15.8	0	0	0	110.5	S64 T69 N95 F99 G298	S64-D93 WeakPolarHBondContact CB-OD1 3.43Å; S64-D93 WeakPolarHBondContact CB-OD2 3.13Å; S64-D93 VanDerWaalsContact OG-CG 3.24Å; S64-D93 PolarHBondContact OG-OD1 3.34Å; S64-D93 PolarHBondContact OG-OD2 2.73Å; T69-D93 HydrophobicContact CG2-CB 4.39Å; D93-N95 VanDerWaalsContact C-N 3.28Å; D93-N95 WeakPolarHBondContact OD1-CA 3.44Å; D93-N95 PolarHBondContact OD1-N 3.08Å; D93-F99 HydrophobicContact CB-CD1 3.97Å; D93-F99 HydrophobicContact CB-CE1 3.82Å; D93-F99 VanDerWaalsContact CG-CE1 3.43Å; D93-G298 WeakPolarHBondContact O-CA 3.26Å
94	R	93.2	Very high	94.7	Very high	26 Å²	26	36.8 Å²	36.8	10%	0.098	17%	0.17	C	C	.	.			trans	-88.6	5.1	179	-67.2	173.4	51.4	-168.6	-10	113.2	D96 T98 Q297 R449	R94-D96 WeakPolarHBondContact CB-OD1 3.37Å; R94-D96 IonicContact NH2-OD2 3.92Å; R94-D96 PolarHBondContact O-N 2.75Å; R94-D96 VanDerWaalsContact O-N 3.11Å; R94-T98 WeakPolarHBondContact CB-O 3.5Å; R94-T98 VanDerWaalsContact CD-OG1 3.3Å; R94-T98 WeakPolarHBondContact CD-OG1 3.3Å; R94-T98 VanDerWaalsContact CZ-OG1 3.24Å; R94-T98 PolarHBondContact N-O 2.87Å; R94-T98 VanDerWaalsContact N-O 3.09Å; R94-T98 PolarHBondContact NE-OG1 3.01Å; R94-T98 PolarHBondContact NH1-OG1 2.84Å; R94-Q297 HydrophobicContact CG-CB 4.44Å; R94-R449 VanDerWaalsContact NE-CZ 3.29Å
95	N	89.9	Confident	94.9	Very high	72 Å²	72	36.2 Å²	36.2	39%	0.385	17%	0.166	S	C	.	.	S	Bend	trans	59.9	12.7	179.6	-63.2	-51.8	0	0	0	115.3	S64 D93	S64-N95 WeakPolarHBondContact OG-CA 3.5Å; D93-N95 VanDerWaalsContact C-N 3.28Å; D93-N95 WeakPolarHBondContact OD1-CA 3.44Å; D93-N95 PolarHBondContact OD1-N 3.08Å
96	D	91.1	Very high	94.8	Very high	27 Å²	27	32.1 Å²	32.1	14%	0.144	15%	0.153	C	C	.	.	S	Bend	trans	-122.8	21.4	-178.8	59.6	14.9	0	0	0	112.5	T62 R94 T98 K442 R449	T62-D96 CarbonylContact C-O 3.54Å; T62-D96 CarbonylContact O-C 3.55Å; R94-D96 WeakPolarHBondContact CB-OD1 3.37Å; R94-D96 IonicContact NH2-OD2 3.92Å; R94-D96 PolarHBondContact O-N 2.75Å; R94-D96 VanDerWaalsContact O-N 3.11Å; D96-T98 PolarHBondContact O-N 3.38Å; D96-T98 WeakPolarHBondContact OD1-CB 3.36Å; D96-T98 PolarHBondContact OD1-N 3.23Å; D96-T98 PolarHBondContact OD1-OG1 3.08Å; D96-K442 IonicContact OD2-NZ 3.47Å; D96-K442 PolarHBondContact OD2-NZ 2.93Å; D96-R449 IonicContact OD2-NH1 2.86Å; D96-R449 PolarHBondContact OD2-NH1 3.34Å
97	G	92.1	Very high	94.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	78.5	-1.5	-175.7	0	0	0	0	0	114.1	Q52 A53 L61	Q52-G97 PolarHBondContact NE2-O 3.1Å; A53-G97 PolarHBondContact N-O 3.06Å; L61-G97 WeakPolarHBondContact O-CA 3.41Å
98	T	94.9	Very high	94.5	Very high	12 Å²	12	29.3 Å²	29.3	7%	0.074	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	151	169.5	74.3	0	0	0	0	112.4	L51 Q52 R94 D96	L51-T98 CarbonylContact O-C 3.58Å; L51-T98 WeakPolarHBondContact O-CA 3.45Å; Q52-T98 VanDerWaalsContact OE1-CG2 3.3Å; R94-T98 WeakPolarHBondContact CB-O 3.5Å; R94-T98 VanDerWaalsContact CD-OG1 3.3Å; R94-T98 WeakPolarHBondContact CD-OG1 3.3Å; R94-T98 VanDerWaalsContact CZ-OG1 3.24Å; R94-T98 PolarHBondContact N-O 2.87Å; R94-T98 VanDerWaalsContact N-O 3.09Å; R94-T98 PolarHBondContact NE-OG1 3.01Å; R94-T98 PolarHBondContact NH1-OG1 2.84Å; D96-T98 PolarHBondContact O-N 3.38Å; D96-T98 WeakPolarHBondContact OD1-CB 3.36Å; D96-T98 PolarHBondContact OD1-N 3.23Å; D96-T98 PolarHBondContact OD1-OG1 3.08Å
99	F	96.1	Very high	94.4	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.8	177.3	-54	-94.5	0	0	0	109.9	F50 L51 A53 T69 F71 P91 L92 D93	F50-F99 CarbonylContact C-O 3.54Å; F50-F99 VanDerWaalsContact CA-O 3.27Å; F50-F99 WeakPolarHBondContact CA-O 3.37Å; L51-F99 HydrophobicContact CB-CB 4.18Å; L51-F99 HydrophobicContact CB-CD2 4.46Å; L51-F99 PolarHBondContact N-O 3.19Å; L51-F99 PolarHBondContact O-N 3.08Å; A53-F99 HydrophobicContact CB-CE2 4.04Å; T69-F99 HydrophobicContact CG2-CD1 4.03Å; T69-F99 HydrophobicContact CG2-CE1 3.28Å; T69-F99 HydrophobicContact CG2-CZ 4.06Å; F71-F99 HydrophobicContact CD2-CD1 4.3Å; F71-F99 AromaticContact CD2-CD2 3.88Å; F71-F99 HydrophobicContact CD2-CD2 3.88Å; F71-F99 HydrophobicContact CD2-CE1 4.5Å; F71-F99 HydrophobicContact CD2-CE2 4.09Å; F71-F99 HydrophobicContact CD2-CG 4.01Å; F71-F99 HydrophobicContact CD2-CZ 4.39Å; F71-F99 AromaticContact CE2-CD2 3.45Å; F71-F99 HydrophobicContact CE2-CD2 3.45Å; F71-F99 VanDerWaalsContact CE2-CD2 3.45Å; F71-F99 AromaticContact CE2-CE2 3.45Å; F71-F99 HydrophobicContact CE2-CE2 3.45Å; F71-F99 VanDerWaalsContact CE2-CE2 3.45Å; F71-F99 HydrophobicContact CE2-CG 4.07Å; F71-F99 HydrophobicContact CE2-CZ 4.05Å; F71-F99 HydrophobicContact CZ-CD2 4.29Å; F71-F99 HydrophobicContact CZ-CE2 4.4Å; P91-F99 HydrophobicContact CB-CB 4.29Å; L92-F99 CarbonylContact O-C 3.52Å; L92-F99 WeakPolarHBondContact O-CA 3.41Å; D93-F99 HydrophobicContact CB-CD1 3.97Å; D93-F99 HydrophobicContact CB-CE1 3.82Å; D93-F99 VanDerWaalsContact CG-CE1 3.43Å
100	L	97.2	Very high	94.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	109.1	177.6	176.4	63.1	0	0	0	109.6	Y48 F50 L92 R102 L294	Y48-L100 HydrophobicContact CD2-CD1 3.56Å; Y48-L100 HydrophobicContact CE2-CD1 4.48Å; Y48-L100 HydrophobicContact CG-CD1 4.13Å; F50-L100 HydrophobicContact CD1-CD1 3.9Å; F50-L100 HydrophobicContact CE1-CD1 3.65Å; F50-L100 HydrophobicContact CZ-CD1 4.31Å; L92-L100 HydrophobicContact CB-CB 4.16Å; L92-L100 HydrophobicContact CD1-CD2 4.37Å; L92-L100 PolarHBondContact N-O 2.93Å; L92-L100 PolarHBondContact O-N 3.48Å; L100-R102 HydrophobicContact CD2-CG 4.45Å; L100-R102 HydrophobicContact CG-CG 3.99Å; L100-L294 HydrophobicContact CD2-CB 3.9Å; L100-L294 HydrophobicContact CD2-CD2 4.13Å; L100-L294 WeakPolarHBondContact CD2-O 3.42Å
101	V	98.2	Very high	94.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.5	173.1	-175.6	0	0	0	0	108.6	Y48 F49 L51 V73 P91	Y48-V101 CarbonylContact C-O 3.59Å; Y48-V101 WeakPolarHBondContact CA-O 3.34Å; Y48-V101 WeakPolarHBondContact CB-O 3.28Å; F49-V101 HydrophobicContact CD1-CB 3.97Å; F49-V101 HydrophobicContact CD1-CG1 4.09Å; F49-V101 HydrophobicContact CD2-CB 4.12Å; F49-V101 HydrophobicContact CD2-CG2 4.2Å; F49-V101 HydrophobicContact CE1-CB 3.68Å; F49-V101 HydrophobicContact CE1-CG1 3.38Å; F49-V101 HydrophobicContact CE1-CG2 4.38Å; F49-V101 HydrophobicContact CE2-CB 3.85Å; F49-V101 HydrophobicContact CE2-CG1 4.2Å; F49-V101 HydrophobicContact CE2-CG2 3.7Å; F49-V101 HydrophobicContact CG-CB 4.19Å; F49-V101 HydrophobicContact CZ-CB 3.62Å; F49-V101 HydrophobicContact CZ-CG1 3.46Å; F49-V101 VanDerWaalsContact CZ-CG1 3.46Å; F49-V101 HydrophobicContact CZ-CG2 3.81Å; F49-V101 PolarHBondContact N-O 3.09Å; F49-V101 PolarHBondContact O-N 2.98Å; L51-V101 HydrophobicContact CD1-CG2 3.62Å; L51-V101 HydrophobicContact CG-CG2 3.8Å; V73-V101 HydrophobicContact CB-CG1 4.18Å; V73-V101 HydrophobicContact CG1-CG1 3.92Å; V73-V101 HydrophobicContact CG2-CG1 3.87Å; V73-V101 HydrophobicContact CG2-CG2 3.95Å; P91-V101 HydrophobicContact CB-CG2 4.11Å; P91-V101 HydrophobicContact CG-CG2 4.08Å
102	R	97.8	Very high	94.2	Very high	18 Å²	18	23.2 Å²	23.2	7%	0.068	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.6	180	-54	174.7	-62.9	165.1	-1.9	109.3	V46 R47 P89 L100 M286 D292 L294 S295	V46-R102 HydrophobicContact CG1-CB 3.92Å; R47-R102 CarbonylContact O-C 3.47Å; R47-R102 WeakPolarHBondContact O-CA 3.44Å; P89-R102 WeakPolarHBondContact CD-O 3.36Å; L100-R102 HydrophobicContact CD2-CG 4.45Å; L100-R102 HydrophobicContact CG-CG 3.99Å; R102-M286 HydrophobicContact CB-SD 3.53Å; R102-M286 VanDerWaalsContact CB-SD 3.53Å; R102-D292 IonicContact NH1-OD1 2.92Å; R102-D292 IonicContact NH1-OD2 2.81Å; R102-L294 HydrophobicContact CG-CD1 4.4Å; R102-S295 PolarHBondContact NH1-OG 2.96Å
103	Y	97.8	Very high	94.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.4	171.2	66.8	-82.9	0	0	0	111.3	G37 R47 F49 V75 I86 Y87 M105 L113	G37-Y103 PolarHBondContact O-OH 3.46Å; R47-Y103 HydrophobicContact CB-CD1 3.96Å; R47-Y103 HydrophobicContact CB-CD2 4.13Å; R47-Y103 HydrophobicContact CB-CE1 3.5Å; R47-Y103 HydrophobicContact CB-CE2 3.72Å; R47-Y103 HydrophobicContact CB-CG 4.26Å; R47-Y103 VanDerWaalsContact CD-CE2 3.5Å; R47-Y103 VanDerWaalsContact CD-OH 3.26Å; R47-Y103 WeakPolarHBondContact CD-OH 3.43Å; R47-Y103 HydrophobicContact CG-CE2 4.2Å; R47-Y103 PolarHBondContact N-O 3.37Å; R47-Y103 PolarHBondContact O-N 2.89Å; F49-Y103 HydrophobicContact CD1-CE1 4.45Å; F49-Y103 HydrophobicContact CE1-CE1 4.43Å; V75-Y103 HydrophobicContact CG1-CD2 4.24Å; V75-Y103 HydrophobicContact CG1-CE2 4.11Å; V75-Y103 HydrophobicContact CG2-CD1 4.33Å; V75-Y103 HydrophobicContact CG2-CG 4.23Å; I86-Y103 HydrophobicContact CG2-CD2 3.77Å; I86-Y103 HydrophobicContact CG2-CG 4.45Å; Y87-Y103 CarbonylContact O-C 3.47Å; Y87-Y103 WeakPolarHBondContact O-CA 3.5Å; Y87-Y103 WeakPolarHBondContact O-CB 3.21Å; Y103-M105 HydrophobicContact CD2-CG 4.1Å; Y103-M105 HydrophobicContact CE2-CG 3.99Å; Y103-M105 HydrophobicContact CE2-SD 4.11Å; Y103-L113 HydrophobicContact CE2-CD1 4.07Å
104	R	96.1	Very high	94.5	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.011	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.6	177.4	-172	165	-172.4	118.7	2.6	109.4	I86 Y87 Y139 L283 A285 M286	I86-R104 WeakPolarHBondContact CA-O 3.44Å; Y87-R104 PolarHBondContact N-O 3.01Å; Y87-R104 PolarHBondContact O-N 3.17Å; R104-Y139 PolarHBondContact NH2-OH 2.78Å; R104-L283 PolarHBondContact NH1-O 3.2Å; R104-A285 PolarHBondContact NH1-O 2.92Å; R104-M286 HydrophobicContact CB-CE 4.12Å
105	M	94.1	Very high	94.8	Very high	9 Å²	9	21.6 Å²	21.6	4%	0.044	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.8	175	-62.1	179.7	66.1	0	0	109.1	V84 I86 Y103 E107 A109 L113 V135 H137	V84-M105 HydrophobicContact CG1-CE 4.28Å; I86-M105 HydrophobicContact CG1-CG 4.34Å; I86-M105 HydrophobicContact CG2-CG 4.41Å; Y103-M105 HydrophobicContact CD2-CG 4.1Å; Y103-M105 HydrophobicContact CE2-CG 3.99Å; Y103-M105 HydrophobicContact CE2-SD 4.11Å; M105-E107 WeakPolarHBondContact CE-O 3.46Å; M105-A109 HydrophobicContact CE-CB 3.96Å; M105-L113 HydrophobicContact CE-CD1 3.98Å; M105-L113 HydrophobicContact CE-CD2 4.3Å; M105-L113 HydrophobicContact CE-CG 4.46Å; M105-L113 HydrophobicContact SD-CD1 3.81Å; M105-V135 HydrophobicContact CE-CB 4.22Å; M105-V135 HydrophobicContact CE-CG1 3.95Å; M105-V135 VanDerWaalsContact CE-O 3.25Å; M105-V135 WeakPolarHBondContact CE-O 3.41Å; M105-V135 HydrophobicContact SD-CG1 3.69Å; M105-H137 HydrophobicContact CB-CB 3.94Å
106	H	91.5	Very high	95.2	Very high	50 Å²	50	19.8 Å²	19.8	23%	0.231	10%	0.101	C	C	.	.	S	Bend	trans	-109.4	-9.5	175.3	-63.4	-81.9	0	0	0	113.2	R85 H137	R85-H106 HydrophobicContact CB-CB 4.13Å; R85-H106 HydrophobicContact CG-CB 4.23Å; R85-H106 VanDerWaalsContact NE-CB 3.26Å; R85-H106 WeakPolarHBondContact O-CB 3.44Å; R85-H106 PolarHBondContact O-N 2.8Å; H106-H137 VanDerWaalsContact C-CD2 3.49Å; H106-H137 PolarHBondContact O-CD2 2.82Å
107	E	91.6	Very high	95.5	Very high	86 Å²	86	18.5 Å²	18.5	40%	0.402	9%	0.094	S	C	.	.	S	Bend	trans	-137.2	154.7	175	-73.5	160.3	166.7	0	0	108.7	V84 R85 M105 H137	V84-E107 WeakPolarHBondContact CA-OE2 3.47Å; V84-E107 HydrophobicContact CG1-CB 3.87Å; V84-E107 WeakPolarHBondContact CG1-O 3.42Å; R85-E107 PolarHBondContact N-OE2 2.89Å; M105-E107 WeakPolarHBondContact CE-O 3.46Å; E107-H137 WeakPolarHBondContact CA-CD2 3.38Å; E107-H137 PolarHBondContact N-CD2 2.75Å
108	T	92.9	Very high	95.7	Very high	9 Å²	9	20.3 Å²	20.3	6%	0.055	10%	0.103	C	C	.	.			trans	-75.1	135.7	172.2	-69.6	0	0	0	0	109.8	Y136	T108-Y136 HydrophobicContact CG2-CD1 3.51Å; T108-Y136 HydrophobicContact CG2-CE1 3.89Å; T108-Y136 HydrophobicContact CG2-CG 4.44Å
109	A	94.1	Very high	95.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-97.1	99	172.4	0	0	0	0	0	110	E82 V84 M105 G112 L113 P134 V135	E82-A109 WeakPolarHBondContact OE1-CA 3.32Å; V84-A109 HydrophobicContact CG1-CB 4.39Å; V84-A109 HydrophobicContact CG2-CB 3.85Å; M105-A109 HydrophobicContact CE-CB 3.96Å; A109-G112 PolarHBondContact O-N 3.1Å; A109-L113 HydrophobicContact CB-CD2 3.51Å; A109-L113 HydrophobicContact CB-CG 4.04Å; A109-P134 CarbonylContact O-C 3.53Å; A109-P134 VanDerWaalsContact O-CA 3.31Å; A109-P134 WeakPolarHBondContact O-CA 3.27Å; A109-V135 HydrophobicContact CB-CB 4.32Å; A109-V135 PolarHBondContact N-O 2.98Å; A109-V135 PolarHBondContact O-N 2.97Å
110	H	92.3	Very high	95.3	Very high	72 Å²	72	23.9 Å²	23.9	33%	0.333	13%	0.132	S	C	.	.	S	Bend	trans	-66.2	-40.4	-176.7	-64.4	-68.2	0	0	0	113.5	E82 G112 G133 H498	E82-H110 WeakPolarHBondContact OE1-CB 3.45Å; E82-H110 IonicContact OE1-CD2 3.37Å; E82-H110 PolarHBondContact OE1-CD2 3.21Å; E82-H110 IonicContact OE1-CG 3.49Å; E82-H110 PolarHBondContact OE1-N 3.41Å; H110-G112 VanDerWaalsContact C-N 3.25Å; H110-G112 PolarHBondContact O-N 3.44Å; H110-G133 CarbonylContact O-C 3.17Å; H110-H498 AromaticContact CE1-NE2 3.75Å; H110-H498 AromaticContact ND1-CD2 3.74Å; H110-H498 AromaticContact ND1-NE2 3.23Å; H110-H498 PolarHBondContact ND1-NE2 2.96Å
111	A	92.9	Very high	95.1	Very high	44 Å²	44	26.8 Å²	26.8	36%	0.364	16%	0.162	S	C	.	.	S	Bend	trans	-76.7	-17.8	178.4	0	0	0	0	0	112.7	L78 E82	L78-A111 HydrophobicContact CB-CB 4.41Å; L78-A111 WeakPolarHBondContact CD1-O 3.31Å; E82-A111 PolarHBondContact OE2-N 2.96Å
112	G	95.7	Very high	94.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.2	-176.3	-174.4	0	0	0	0	0	113.4	S77 L78 A109 H110 L131 G133	S77-G112 WeakPolarHBondContact CA-O 3.5Å; L78-G112 PolarHBondContact N-O 2.92Å; A109-G112 PolarHBondContact O-N 3.1Å; H110-G112 VanDerWaalsContact C-N 3.25Å; H110-G112 PolarHBondContact O-N 3.44Å; G112-L131 CarbonylContact C-O 3.45Å; G112-L131 WeakPolarHBondContact CA-O 3.33Å; G112-G133 WeakPolarHBondContact CA-O 3.45Å; G112-G133 PolarHBondContact N-O 2.49Å
113	L	97.5	Very high	94.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.6	-175.1	-63.8	178.9	0	0	0	113.1	V75 K76 I86 Y103 M105 A109 L131 V135	V75-L113 HydrophobicContact CG1-CD1 3.94Å; V75-L113 HydrophobicContact CG1-CD2 4.35Å; K76-L113 WeakPolarHBondContact O-CA 3.48Å; I86-L113 HydrophobicContact CD1-CD2 3.63Å; Y103-L113 HydrophobicContact CE2-CD1 4.07Å; M105-L113 HydrophobicContact CE-CD1 3.98Å; M105-L113 HydrophobicContact CE-CD2 4.3Å; M105-L113 HydrophobicContact CE-CG 4.46Å; M105-L113 HydrophobicContact SD-CD1 3.81Å; A109-L113 HydrophobicContact CB-CD2 3.51Å; A109-L113 HydrophobicContact CB-CG 4.04Å; L113-L131 HydrophobicContact CB-CB 4.2Å; L113-L131 HydrophobicContact CB-CD2 4.46Å; L113-L131 PolarHBondContact N-O 2.92Å; L113-L131 PolarHBondContact O-N 3.28Å; L113-V135 HydrophobicContact CD1-CB 4.2Å; L113-V135 HydrophobicContact CD1-CG1 3.71Å; L113-V135 HydrophobicContact CD1-CG2 4.41Å; L113-V135 HydrophobicContact CG-CB 4.12Å; L113-V135 HydrophobicContact CG-CG1 4.19Å; L113-V135 HydrophobicContact CG-CG2 4.07Å
114	K	97.7	Very high	94.9	Very high	51 Å²	51	35.5 Å²	35.5	22%	0.222	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.8	163.2	-171.2	-178.2	178	-154.3	0	108.6	K76 L78 E116 P128 I130	K76-K114 HydrophobicContact CG-CB 4.25Å; K76-K114 PolarHBondContact N-O 3.41Å; K76-K114 VanDerWaalsContact N-O 3.11Å; K76-K114 PolarHBondContact O-N 3.48Å; L78-K114 HydrophobicContact CD2-CB 3.78Å; K114-E116 HydrophobicContact CD-CG 4.1Å; K114-E116 WeakPolarHBondContact CE-OE2 3.34Å; K114-E116 HydrophobicContact CG-CG 4.06Å; K114-E116 IonicContact NZ-OE1 2.76Å; K114-E116 PolarHBondContact NZ-OE1 2.9Å; K114-E116 IonicContact NZ-OE2 3.6Å; K114-E116 PolarHBondContact NZ-OE2 3.43Å; K114-P128 HydrophobicContact CD-CB 4.27Å; K114-P128 HydrophobicContact CG-CB 3.86Å; K114-I130 HydrophobicContact CB-CD1 4.3Å; K114-I130 HydrophobicContact CG-CD1 3.83Å
115	V	98.4	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.4	173.8	-179.1	0	0	0	0	108.4	L38 F49 V73 V75 V117 P128 Y129 L131	L38-V115 HydrophobicContact CD2-CB 4.35Å; L38-V115 HydrophobicContact CD2-CG1 4.09Å; L38-V115 HydrophobicContact CD2-CG2 4.45Å; F49-V115 HydrophobicContact CE1-CG1 4.01Å; F49-V115 HydrophobicContact CZ-CG1 3.86Å; V73-V115 HydrophobicContact CG1-CG1 4.25Å; V75-V115 HydrophobicContact CG1-CG2 4.1Å; V75-V115 HydrophobicContact CG2-CG1 4.22Å; V75-V115 HydrophobicContact CG2-CG2 4.2Å; V115-V117 HydrophobicContact CG1-CG2 4.11Å; V115-P128 WeakPolarHBondContact O-CA 3.44Å; V115-Y129 PolarHBondContact N-O 2.9Å; V115-Y129 PolarHBondContact O-N 3.5Å; V115-L131 HydrophobicContact CG2-CD1 3.88Å
116	E	98.3	Very high	95	Very high	34 Å²	34	42.4 Å²	42.4	16%	0.159	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.4	177.3	-64.1	-174.8	89	0	0	109.2	V73 V74 K76 K114 P128	V73-E116 CarbonylContact C-O 3.53Å; V73-E116 VanDerWaalsContact CA-O 3.29Å; V73-E116 WeakPolarHBondContact CA-O 3.38Å; V74-E116 HydrophobicContact CB-CB 4.35Å; V74-E116 PolarHBondContact N-O 2.9Å; V74-E116 PolarHBondContact O-N 3.17Å; K76-E116 WeakPolarHBondContact CE-OE2 3.4Å; K76-E116 IonicContact NZ-OE2 3.7Å; K76-E116 PolarHBondContact NZ-OE2 2.92Å; K114-E116 HydrophobicContact CD-CG 4.1Å; K114-E116 WeakPolarHBondContact CE-OE2 3.34Å; K114-E116 HydrophobicContact CG-CG 4.06Å; K114-E116 IonicContact NZ-OE1 2.76Å; K114-E116 PolarHBondContact NZ-OE1 2.9Å; K114-E116 IonicContact NZ-OE2 3.6Å; K114-E116 PolarHBondContact NZ-OE2 3.43Å; E116-P128 HydrophobicContact CG-CB 4.07Å
117	V	98.2	Very high	95.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.3	176.4	-172.5	0	0	0	0	108.2	F49 L51 F71 V73 V115 V124 S127 Y129	F49-V117 HydrophobicContact CE2-CG2 3.95Å; F49-V117 HydrophobicContact CZ-CG2 3.86Å; L51-V117 HydrophobicContact CD1-CG1 3.91Å; L51-V117 HydrophobicContact CD2-CG1 3.86Å; F71-V117 HydrophobicContact CD1-CG1 4.41Å; V73-V117 HydrophobicContact CG1-CG2 4.47Å; V73-V117 HydrophobicContact CG2-CG1 4.29Å; V73-V117 HydrophobicContact CG2-CG2 4.41Å; V115-V117 HydrophobicContact CG1-CG2 4.11Å; V117-V124 HydrophobicContact CB-CB 4.08Å; V117-V124 HydrophobicContact CG1-CB 3.7Å; V117-V124 HydrophobicContact CG1-CG1 4.19Å; V117-V124 HydrophobicContact CG1-CG2 3.79Å; V117-V124 PolarHBondContact O-N 3.23Å; V117-S127 PolarHBondContact N-OG 2.8Å; V117-S127 WeakPolarHBondContact O-CB 3.3Å; V117-S127 PolarHBondContact O-OG 2.79Å; V117-Y129 HydrophobicContact CB-CE2 4.26Å; V117-Y129 HydrophobicContact CG2-CD2 4.14Å; V117-Y129 HydrophobicContact CG2-CE2 3.85Å
118	L	96.8	Very high	95.6	Very high	37 Å²	37	38.6 Å²	38.6	19%	0.194	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.7	-179.3	-57.4	174.8	0	0	0	110.7	F71 K72 E122 H123	F71-L118 CarbonylContact C-O 3.4Å; F71-L118 VanDerWaalsContact CA-O 3.29Å; F71-L118 WeakPolarHBondContact CA-O 3.47Å; K72-L118 HydrophobicContact CB-CB 4.42Å; K72-L118 PolarHBondContact N-O 3.42Å; K72-L118 PolarHBondContact O-N 3.43Å; L118-E122 CarbonylContact C-O 3.54Å; L118-E122 WeakPolarHBondContact CA-O 3.48Å; L118-H123 VanDerWaalsContact CD2-ND1 3.33Å; L118-H123 WeakPolarHBondContact CD2-ND1 3.49Å
119	Y	93.8	Very high	95.8	Very high	37 Å²	37	38.9 Å²	38.9	15%	0.145	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.5	165.5	-177.6	-83.2	0	0	0	108.5	V26 Q70 F71 G121 E122	V26-Y119 HydrophobicContact CB-CD1 4.17Å; V26-Y119 HydrophobicContact CB-CE1 3.56Å; V26-Y119 HydrophobicContact CB-CE2 4.08Å; V26-Y119 VanDerWaalsContact CB-CZ 3.5Å; V26-Y119 HydrophobicContact CG1-CD1 4Å; V26-Y119 HydrophobicContact CG1-CD2 4.15Å; V26-Y119 HydrophobicContact CG1-CE1 3.89Å; V26-Y119 HydrophobicContact CG1-CE2 4Å; V26-Y119 HydrophobicContact CG1-CG 4.14Å; V26-Y119 HydrophobicContact CG2-CE1 4.3Å; V26-Y119 HydrophobicContact CG2-CE2 4.14Å; V26-Y119 WeakPolarHBondContact CG2-OH 3.41Å; Q70-Y119 HydrophobicContact CB-CD2 4.13Å; Q70-Y119 HydrophobicContact CB-CE2 3.98Å; F71-Y119 AromaticContact CD1-CD2 3.89Å; F71-Y119 HydrophobicContact CD1-CD2 3.89Å; F71-Y119 HydrophobicContact CD1-CG 4.46Å; F71-Y119 AromaticContact CD2-CD2 4Å; F71-Y119 HydrophobicContact CD2-CD2 4Å; F71-Y119 HydrophobicContact CD2-CE2 4.42Å; F71-Y119 AromaticContact CE1-CD2 3.72Å; F71-Y119 HydrophobicContact CE1-CD2 3.72Å; F71-Y119 HydrophobicContact CE1-CG 4.22Å; F71-Y119 AromaticContact CE2-CD2 3.8Å; F71-Y119 HydrophobicContact CE2-CD2 3.8Å; F71-Y119 HydrophobicContact CE2-CE2 4.12Å; F71-Y119 HydrophobicContact CG-CD2 4.04Å; F71-Y119 AromaticContact CZ-CD2 3.67Å; F71-Y119 HydrophobicContact CZ-CD2 3.67Å; F71-Y119 HydrophobicContact CZ-CE2 4.3Å; F71-Y119 HydrophobicContact CZ-CG 4.47Å; Y119-G121 PolarHBondContact O-N 3.07Å; Y119-G121 VanDerWaalsContact O-N 3.11Å; Y119-E122 PolarHBondContact N-O 3.47Å; Y119-E122 PolarHBondContact O-N 3.19Å
120	G	89.3	Confident	96	Very high	52 Å²	52	42.8 Å²	42.8	54%	0.536	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	21.9	-177.1	0	0	0	0	0	114.5	Q70	Q70-G120 VanDerWaalsContact OE1-CA 3.28Å
121	G	91.3	Very high	96.2	Very high	61 Å²	61	39.6 Å²	39.6	63%	0.629	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.6	-10.7	-175.6	0	0	0	0	0	115.1	Y119	Y119-G121 PolarHBondContact O-N 3.07Å; Y119-G121 VanDerWaalsContact O-N 3.11Å
122	E	95.2	Very high	96.2	Very high	120 Å²	120	45.9 Å²	45.9	56%	0.561	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	149.6	178.1	-65.3	-172.9	162.7	0	0	112.1	A28 L118 Y119	A28-E122 HydrophobicContact CB-CB 3.75Å; L118-E122 CarbonylContact C-O 3.54Å; L118-E122 WeakPolarHBondContact CA-O 3.48Å; Y119-E122 PolarHBondContact N-O 3.47Å; Y119-E122 PolarHBondContact O-N 3.19Å
123	H	97.6	Very high	95.7	Very high	81 Å²	81	47.3 Å²	47.3	38%	0.375	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135	179	-78.8	-63.3	0	0	0	112.8	A28 L118 S127	A28-H123 CarbonylContact C-O 3.43Å; A28-H123 WeakPolarHBondContact CB-O 3.32Å; L118-H123 VanDerWaalsContact CD2-ND1 3.33Å; L118-H123 WeakPolarHBondContact CD2-ND1 3.49Å; H123-S127 WeakPolarHBondContact CB-O 3.41Å; H123-S127 VanDerWaalsContact CG-O 3.25Å; H123-S127 PolarHBondContact ND1-O 3.4Å; H123-S127 PolarHBondContact ND1-OG 2.8Å
124	V	97.1	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-87.1	121.1	177	174.8	0	0	0	0	110.4	A28 L51 F71 V117 Q126 S127 Y129	A28-V124 HydrophobicContact CB-CG2 4.35Å; A28-V124 VanDerWaalsContact O-CA 3.32Å; A28-V124 WeakPolarHBondContact O-CA 3.13Å; L51-V124 HydrophobicContact CD2-CG1 4.34Å; F71-V124 HydrophobicContact CD1-CG2 4.04Å; F71-V124 HydrophobicContact CE1-CG1 4.45Å; F71-V124 HydrophobicContact CE1-CG2 3.73Å; V117-V124 HydrophobicContact CB-CB 4.08Å; V117-V124 HydrophobicContact CG1-CB 3.7Å; V117-V124 HydrophobicContact CG1-CG1 4.19Å; V117-V124 HydrophobicContact CG1-CG2 3.79Å; V117-V124 PolarHBondContact O-N 3.23Å; V124-Q126 PolarHBondContact O-N 3.43Å; V124-S127 VanDerWaalsContact O-CB 3.25Å; V124-S127 WeakPolarHBondContact O-CB 3.45Å; V124-S127 PolarHBondContact O-N 3.12Å; V124-Y129 PolarHBondContact O-OH 2.66Å
125	A	96	Very high	95.3	Very high	33 Å²	33	46.9 Å²	46.9	27%	0.273	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.5	-120.2	-168.8	0	0	0	0	0	112.4	A28 S31 S127	A28-A125 PolarHBondContact O-N 3.29Å; A28-A125 VanDerWaalsContact O-N 3.12Å; S31-A125 WeakPolarHBondContact O-CB 3.41Å; A125-S127 VanDerWaalsContact C-N 3.27Å; A125-S127 PolarHBondContact O-N 2.83Å
126	Q	96.4	Very high	95.2	Very high	124 Å²	124	47.3 Å²	47.3	58%	0.579	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	13.5	-176.5	75	-85.4	37	0	0	114	V124 P128 Y129	V124-Q126 PolarHBondContact O-N 3.43Å; Q126-P128 CarbonylContact O-C 3.5Å; Q126-Y129 HydrophobicContact CG-CD1 3.96Å; Q126-Y129 HydrophobicContact CG-CE1 3.67Å; Q126-Y129 VanDerWaalsContact NE2-CE1 3.26Å; Q126-Y129 PolarHBondContact OE1-OH 3.3Å
127	S	97.4	Very high	95	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.063	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-52.1	137.3	175.8	176.1	0	0	0	0	110.6	V117 H123 V124 A125	V117-S127 PolarHBondContact N-OG 2.8Å; V117-S127 WeakPolarHBondContact O-CB 3.3Å; V117-S127 PolarHBondContact O-OG 2.79Å; H123-S127 WeakPolarHBondContact CB-O 3.41Å; H123-S127 VanDerWaalsContact CG-O 3.25Å; H123-S127 PolarHBondContact ND1-O 3.4Å; H123-S127 PolarHBondContact ND1-OG 2.8Å; V124-S127 VanDerWaalsContact O-CB 3.25Å; V124-S127 WeakPolarHBondContact O-CB 3.45Å; V124-S127 PolarHBondContact O-N 3.12Å; A125-S127 VanDerWaalsContact C-N 3.27Å; A125-S127 PolarHBondContact O-N 2.83Å
128	P	97.9	Very high	94.8	Very high	46 Å²	46	46.2 Å²	46.2	30%	0.299	27%	0.266	S	S	.	.	S	Bend	cis	-74.3	140.3	1.8	30.4	-35.8	0	0	0	114.6	K114 V115 E116 Q126 I130	K114-P128 HydrophobicContact CD-CB 4.27Å; K114-P128 HydrophobicContact CG-CB 3.86Å; V115-P128 WeakPolarHBondContact O-CA 3.44Å; E116-P128 HydrophobicContact CG-CB 4.07Å; Q126-P128 CarbonylContact O-C 3.5Å; P128-I130 HydrophobicContact CB-CD1 4.19Å; P128-I130 HydrophobicContact CG-CD1 4.32Å
129	Y	98.1	Very high	94.6	Very high	15 Å²	15	45.9 Å²	45.9	6%	0.059	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.9	171.1	-52.9	-105.2	0	0	0	108.9	A33 L38 V115 V117 V124 Q126	A33-Y129 HydrophobicContact CB-CE1 3.96Å; A33-Y129 HydrophobicContact CB-CE2 4.29Å; A33-Y129 WeakPolarHBondContact CB-OH 2.86Å; L38-Y129 HydrophobicContact CD1-CD1 3.86Å; L38-Y129 HydrophobicContact CD1-CE1 3.92Å; L38-Y129 HydrophobicContact CD1-CG 4.41Å; L38-Y129 HydrophobicContact CD2-CD1 4.21Å; L38-Y129 HydrophobicContact CD2-CD2 4.38Å; L38-Y129 HydrophobicContact CD2-CG 3.97Å; V115-Y129 PolarHBondContact N-O 2.9Å; V115-Y129 PolarHBondContact O-N 3.5Å; V117-Y129 HydrophobicContact CB-CE2 4.26Å; V117-Y129 HydrophobicContact CG2-CD2 4.14Å; V117-Y129 HydrophobicContact CG2-CE2 3.85Å; V124-Y129 PolarHBondContact O-OH 2.66Å; Q126-Y129 HydrophobicContact CG-CD1 3.96Å; Q126-Y129 HydrophobicContact CG-CE1 3.67Å; Q126-Y129 VanDerWaalsContact NE2-CE1 3.26Å; Q126-Y129 PolarHBondContact OE1-OH 3.3Å
130	I	97.9	Very high	94.5	Very high	83 Å²	83	44.3 Å²	44.3	43%	0.426	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	110.6	-176.6	-53.8	-56.4	0	0	0	109.5	L78 K114 P128 K132	L78-I130 HydrophobicContact CD1-CG2 3.74Å; L78-I130 HydrophobicContact CD2-CD1 3.87Å; L78-I130 HydrophobicContact CD2-CG2 3.84Å; L78-I130 HydrophobicContact CG-CG2 4.47Å; K114-I130 HydrophobicContact CB-CD1 4.3Å; K114-I130 HydrophobicContact CG-CD1 3.83Å; P128-I130 HydrophobicContact CB-CD1 4.19Å; P128-I130 HydrophobicContact CG-CD1 4.32Å; I130-K132 HydrophobicContact CG2-CG 4.09Å
131	L	96.9	Very high	94.7	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	99.1	177	-71.7	66.9	0	0	0	107.4	A40 G112 L113 V115 V135	A40-L131 HydrophobicContact CB-CB 4.1Å; G112-L131 CarbonylContact C-O 3.45Å; G112-L131 WeakPolarHBondContact CA-O 3.33Å; L113-L131 HydrophobicContact CB-CB 4.2Å; L113-L131 HydrophobicContact CB-CD2 4.46Å; L113-L131 PolarHBondContact N-O 2.92Å; L113-L131 PolarHBondContact O-N 3.28Å; V115-L131 HydrophobicContact CG2-CD1 3.88Å; L131-V135 HydrophobicContact CB-CG2 4.13Å
132	K	93.6	Very high	94.8	Very high	175 Å²	175	42.7 Å²	42.7	76%	0.761	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	148.2	-176.8	-64	-176.9	179.4	179.6	0	112.2	A40 I130	A40-K132 WeakPolarHBondContact CB-O 3.4Å; I130-K132 HydrophobicContact CG2-CG 4.09Å
133	G	84	Confident	94.8	Very high	31 Å²	31	38.1 Å²	38.1	32%	0.32	20%	0.203	S	C	.	.	S	Bend	trans	86.1	-178.8	176.1	0	0	0	0	0	112.8	H110 G112 V135	H110-G133 CarbonylContact O-C 3.17Å; G112-G133 WeakPolarHBondContact CA-O 3.45Å; G112-G133 PolarHBondContact N-O 2.49Å; G133-V135 PolarHBondContact O-N 2.85Å
134	P	92.6	Very high	94.7	Very high	41 Å²	41	36.3 Å²	36.3	27%	0.266	19%	0.194	S	C	.	.			trans	-64.4	127.2	179.5	26.9	-33.6	0	0	0	110.5	A109 Y136 H498	A109-P134 CarbonylContact O-C 3.53Å; A109-P134 VanDerWaalsContact O-CA 3.31Å; A109-P134 WeakPolarHBondContact O-CA 3.27Å; P134-Y136 HydrophobicContact CB-CE1 3.99Å; P134-Y136 HydrophobicContact CB-CE2 4.21Å; P134-Y136 HydrophobicContact CG-CE2 4.13Å; P134-Y136 WeakPolarHBondContact CG-OH 3.49Å; P134-H498 HydrophobicContact CG-CB 4.16Å
135	V	95.3	Very high	94.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-107.3	99.1	174.2	-175.3	0	0	0	0	107.6	A40 M105 A109 L113 L131 G133	A40-V135 HydrophobicContact CB-CG2 3.96Å; M105-V135 HydrophobicContact CE-CB 4.22Å; M105-V135 HydrophobicContact CE-CG1 3.95Å; M105-V135 VanDerWaalsContact CE-O 3.25Å; M105-V135 WeakPolarHBondContact CE-O 3.41Å; M105-V135 HydrophobicContact SD-CG1 3.69Å; A109-V135 HydrophobicContact CB-CB 4.32Å; A109-V135 PolarHBondContact N-O 2.98Å; A109-V135 PolarHBondContact O-N 2.97Å; L113-V135 HydrophobicContact CD1-CB 4.2Å; L113-V135 HydrophobicContact CD1-CG1 3.71Å; L113-V135 HydrophobicContact CD1-CG2 4.41Å; L113-V135 HydrophobicContact CG-CB 4.12Å; L113-V135 HydrophobicContact CG-CG1 4.19Å; L113-V135 HydrophobicContact CG-CG2 4.07Å; L131-V135 HydrophobicContact CB-CG2 4.13Å; G133-V135 PolarHBondContact O-N 2.85Å
136	Y	95.2	Very high	94.5	Very high	10 Å²	10	41.9 Å²	41.9	4%	0.039	22%	0.217	C	C	.	.			trans	-73.7	143	-175.4	-60.2	-65	0	0	0	112.6	V43 R47 T108 P134 C140 C142 H498	V43-Y136 HydrophobicContact CG2-CD2 4.47Å; R47-Y136 PolarHBondContact NH2-O 2.67Å; T108-Y136 HydrophobicContact CG2-CD1 3.51Å; T108-Y136 HydrophobicContact CG2-CE1 3.89Å; T108-Y136 HydrophobicContact CG2-CG 4.44Å; P134-Y136 HydrophobicContact CB-CE1 3.99Å; P134-Y136 HydrophobicContact CB-CE2 4.21Å; P134-Y136 HydrophobicContact CG-CE2 4.13Å; P134-Y136 WeakPolarHBondContact CG-OH 3.49Å; Y136-C140 HydrophobicContact CD1-CB 4.13Å; Y136-C140 WeakPolarHBondContact CD1-SG 3.42Å; Y136-C140 HydrophobicContact CG-CB 4.48Å; Y136-C142 HydrophobicContact CD1-CB 4.5Å; Y136-C142 HydrophobicContact CE1-CB 4.29Å; Y136-C142 HydrophobicContact CE2-CB 4.49Å; Y136-C142 VanDerWaalsContact CZ-SG 3.55Å; Y136-H498 WeakPolarHBondContact OH-CA 3.03Å; Y136-H498 VanDerWaalsContact OH-CB 3.31Å; Y136-H498 WeakPolarHBondContact OH-CB 3.42Å; Y136-H498 PolarHBondContact OH-N 2.86Å
137	H	94	Very high	94.4	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.019	20%	0.2	C	C	.	.			trans	-84.1	169.8	166.6	66.5	20	0	0	0	111.9	M105 H106 E107 Y139 C140 T492	M105-H137 HydrophobicContact CB-CB 3.94Å; H106-H137 VanDerWaalsContact C-CD2 3.49Å; H106-H137 PolarHBondContact O-CD2 2.82Å; E107-H137 WeakPolarHBondContact CA-CD2 3.38Å; E107-H137 PolarHBondContact N-CD2 2.75Å; H137-Y139 VanDerWaalsContact C-N 3.33Å; H137-Y139 VanDerWaalsContact CE1-C 3.42Å; H137-Y139 PolarHBondContact ND1-N 2.8Å; H137-Y139 PolarHBondContact O-N 3Å; H137-C140 VanDerWaalsContact CE1-CA 3.41Å; H137-C140 WeakPolarHBondContact CE1-CA 3.47Å; H137-C140 VanDerWaalsContact CE1-CB 3.43Å; H137-C140 WeakPolarHBondContact CE1-CB 3.44Å; H137-C140 PolarHBondContact CE1-N 2.87Å; H137-C140 VanDerWaalsContact ND1-CB 3.28Å; H137-C140 WeakPolarHBondContact ND1-CB 3.27Å; H137-C140 PolarHBondContact ND1-N 3.38Å; H137-C140 WeakPolarHBondContact O-CB 3.31Å; H137-C140 PolarHBondContact O-N 2.8Å; H137-T492 PolarHBondContact CE1-O 2.95Å; H137-T492 PolarHBondContact NE2-O 2.79Å
138	E	93.8	Very high	94.4	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.028	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-40.1	-177.7	177.5	45.7	-142.5	0	0	115.8	P45 C140 S224 R227 K228	P45-E138 WeakPolarHBondContact CA-OE2 3.48Å; P45-E138 HydrophobicContact CB-CG 4.17Å; P45-E138 VanDerWaalsContact CD-OE2 3.24Å; P45-E138 WeakPolarHBondContact CD-OE2 3.43Å; P45-E138 HydrophobicContact CG-CG 4.31Å; P45-E138 WeakPolarHBondContact CG-OE2 3.32Å; E138-C140 VanDerWaalsContact C-N 3.31Å; E138-S224 WeakPolarHBondContact OE1-CB 3.32Å; E138-S224 PolarHBondContact OE1-OG 3.12Å; E138-R227 PolarHBondContact O-NE 3Å; E138-R227 IonicContact OE1-CZ 3.18Å; E138-R227 IonicContact OE1-NH2 3.91Å; E138-R227 PolarHBondContact OE1-NH2 2.97Å; E138-K228 IonicContact OE1-NZ 3.12Å; E138-K228 PolarHBondContact OE1-NZ 3.2Å; E138-K228 VanDerWaalsContact OE2-CE 3.23Å; E138-K228 WeakPolarHBondContact OE2-CE 3.43Å; E138-K228 IonicContact OE2-NZ 2.74Å; E138-K228 PolarHBondContact OE2-NZ 3.17Å
139	Y	92.8	Very high	94.3	Very high	31 Å²	31	43.7 Å²	43.7	12%	0.122	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	7.9	-173.1	-57.5	-70.5	0	0	0	113.1	R104 H137 D141 T492 S493	R104-Y139 PolarHBondContact NH2-OH 2.78Å; H137-Y139 VanDerWaalsContact C-N 3.33Å; H137-Y139 VanDerWaalsContact CE1-C 3.42Å; H137-Y139 PolarHBondContact ND1-N 2.8Å; H137-Y139 PolarHBondContact O-N 3Å; Y139-D141 PolarHBondContact O-N 3.27Å; Y139-T492 WeakPolarHBondContact CB-O 3.38Å; Y139-T492 WeakPolarHBondContact CD2-OG1 3.32Å; Y139-S493 WeakPolarHBondContact O-CA 3.41Å
140	C	93	Very high	94.2	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.02	23%	0.227	C	C	.	.			trans	-81.3	117.8	-179.3	180	0	0	0	0	108.4	Y136 H137 E138 C142 C495	Y136-C140 HydrophobicContact CD1-CB 4.13Å; Y136-C140 WeakPolarHBondContact CD1-SG 3.42Å; Y136-C140 HydrophobicContact CG-CB 4.48Å; H137-C140 VanDerWaalsContact CE1-CA 3.41Å; H137-C140 WeakPolarHBondContact CE1-CA 3.47Å; H137-C140 VanDerWaalsContact CE1-CB 3.43Å; H137-C140 WeakPolarHBondContact CE1-CB 3.44Å; H137-C140 PolarHBondContact CE1-N 2.87Å; H137-C140 VanDerWaalsContact ND1-CB 3.28Å; H137-C140 WeakPolarHBondContact ND1-CB 3.27Å; H137-C140 PolarHBondContact ND1-N 3.38Å; H137-C140 WeakPolarHBondContact O-CB 3.31Å; H137-C140 PolarHBondContact O-N 2.8Å; E138-C140 VanDerWaalsContact C-N 3.31Å; C140-C142 VanDerWaalsContact C-N 3.33Å; C140-C142 PolarHBondContact O-N 3.12Å; C140-C495 WeakPolarHBondContact CA-SG 3.46Å; C140-C495 HydrophobicContact CB-CB 3.65Å; C140-C495 WeakPolarHBondContact CB-SG 3.42Å; C140-C495 WeakPolarHBondContact SG-CB 3.25Å; C140-C495 CovalentContact SG-SG 2.03Å; C140-C495 PolarHBondContact SG-SG 3.14Å
141	D	92.3	Very high	94.2	Very high	78 Å²	78	41 Å²	41	42%	0.417	22%	0.215	S	C	.	.			trans	-77.8	86.7	172.7	-168.3	13.3	0	0	0	110	Y139 R227	Y139-D141 PolarHBondContact O-N 3.27Å; D141-R227 HydrophobicContact CB-CG 4.25Å
142	C	93.1	Very high	94.2	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	25%	0.25	C	S	.	.			trans	-147	69.7	178.9	-168.1	0	0	0	0	109.3	Y136 C140 R227 C497 R499	Y136-C142 HydrophobicContact CD1-CB 4.5Å; Y136-C142 HydrophobicContact CE1-CB 4.29Å; Y136-C142 HydrophobicContact CE2-CB 4.49Å; Y136-C142 VanDerWaalsContact CZ-SG 3.55Å; C140-C142 VanDerWaalsContact C-N 3.33Å; C140-C142 PolarHBondContact O-N 3.12Å; C142-R227 CarbonylContact C-O 3.59Å; C142-R227 PolarHBondContact N-O 3.36Å; C142-C497 WeakPolarHBondContact CA-SG 3.35Å; C142-C497 HydrophobicContact CB-CB 3.55Å; C142-C497 WeakPolarHBondContact CB-SG 3.2Å; C142-C497 WeakPolarHBondContact SG-CA 3.06Å; C142-C497 WeakPolarHBondContact SG-CB 3.35Å; C142-C497 CovalentContact SG-SG 2.04Å; C142-C497 PolarHBondContact SG-SG 2.96Å; C142-R499 WeakPolarHBondContact O-CD 3.34Å; C142-R499 PolarHBondContact O-NH1 2.81Å
143	P	95.4	Very high	94.3	Very high	24 Å²	24	42.1 Å²	42.1	16%	0.156	22%	0.222	C	C	.	.			trans	-62.4	146.8	-176.8	23.1	-32.2	0	0	0	112.1	A226 R227 R499	P143-A226 WeakPolarHBondContact CB-O 3.39Å; P143-R227 WeakPolarHBondContact CA-O 3.28Å; P143-R227 VanDerWaalsContact N-O 3.15Å; P143-R499 VanDerWaalsContact O-CD 3.25Å; P143-R499 WeakPolarHBondContact O-CD 3.37Å
144	E	95.6	Very high	94.9	Very high	43 Å²	43	41.1 Å²	41.1	20%	0.201	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-73.6	126.6	163.8	-173.3	59.5	-104.8	0	0	108.9	D146 A149 W150 K228 V229 T230 R499	E144-D146 WeakPolarHBondContact CG-O 3.47Å; E144-A149 HydrophobicContact CG-CB 4.36Å; E144-W150 HydrophobicContact CB-CB 3.91Å; E144-W150 HydrophobicContact CB-CG 4.38Å; E144-W150 HydrophobicContact CG-CB 3.87Å; E144-K228 WeakPolarHBondContact CB-O 3.19Å; E144-K228 PolarHBondContact N-O 2.92Å; E144-V229 WeakPolarHBondContact O-CA 3.38Å; E144-T230 PolarHBondContact O-N 3.32Å; E144-T230 PolarHBondContact O-OG1 3.02Å; E144-R499 IonicContact OE2-CZ 3.34Å; E144-R499 IonicContact OE2-NE 3.16Å; E144-R499 PolarHBondContact OE2-NE 2.81Å; E144-R499 VanDerWaalsContact OE2-NE 3.16Å; E144-R499 IonicContact OE2-NH2 3.14Å; E144-R499 PolarHBondContact OE2-NH2 2.97Å
145	E	93.3	Very high	95.1	Very high	76 Å²	76	43.4 Å²	43.4	36%	0.355	23%	0.226	S	C	.	.	S	Bend	trans	-84	-27	-176.6	-69	-156.7	-168.8	0	0	113.2	P147 R501 P502	E145-P147 WeakPolarHBondContact O-CD 3.01Å; E145-R501 VanDerWaalsContact OE1-CA 3.26Å; E145-R501 WeakPolarHBondContact OE1-CA 3.43Å; E145-R501 WeakPolarHBondContact OE1-CG 3.19Å; E145-P502 WeakPolarHBondContact OE1-CD 3.39Å; E145-P502 WeakPolarHBondContact OE2-CD 3.43Å; E145-P502 VanDerWaalsContact OE2-CG 3.3Å; E145-P502 WeakPolarHBondContact OE2-CG 3.29Å
146	D	95.2	Very high	95.2	Very high	74 Å²	74	44.4 Å²	44.4	40%	0.396	23%	0.233	S	C	.	.			trans	-90.5	105	169.6	175.3	11.2	0	0	0	110	E144 Q148 A149 W150	E144-D146 WeakPolarHBondContact CG-O 3.47Å; D146-Q148 PolarHBondContact O-N 2.93Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.32Å; D146-Q148 PolarHBondContact OD1-N 2.64Å; D146-A149 HydrophobicContact CB-CB 3.93Å; D146-A149 PolarHBondContact O-N 2.74Å; D146-A149 PolarHBondContact OD1-N 3.21Å; D146-A149 WeakPolarHBondContact OD2-CB 3.49Å; D146-A149 PolarHBondContact OD2-N 2.79Å; D146-W150 PolarHBondContact O-N 2.96Å; D146-W150 VanDerWaalsContact O-N 3.14Å
147	P	95.4	Very high	95.2	Very high	34 Å²	34	45.6 Å²	45.6	22%	0.221	24%	0.242	C	C	.	.	H	α-helix	trans	-58.3	-30.7	177.2	-27.8	40	0	0	0	113.6	E145 W150 Q151 V229 Y462	E145-P147 WeakPolarHBondContact O-CD 3.01Å; P147-W150 PolarHBondContact O-N 3.22Å; P147-Q151 WeakPolarHBondContact O-CB 3.35Å; P147-Q151 VanDerWaalsContact O-CG 3.23Å; P147-Q151 WeakPolarHBondContact O-CG 3.41Å; P147-Q151 PolarHBondContact O-N 2.89Å; P147-V229 HydrophobicContact CB-CG2 4.39Å; P147-Y462 HydrophobicContact CB-CE1 3.91Å; P147-Y462 WeakPolarHBondContact CB-OH 3.3Å; P147-Y462 VanDerWaalsContact CG-OH 3.23Å; P147-Y462 WeakPolarHBondContact CG-OH 3.39Å
148	Q	96.5	Very high	95.2	Very high	152 Å²	152	49.8 Å²	49.8	71%	0.71	28%	0.277	S	S	*	.	H	α-helix	trans	-71.3	-41.2	-179	-58.1	-173.8	8.6	0	0	110.6	D146 W150 Q151 K152	D146-Q148 PolarHBondContact O-N 2.93Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.32Å; D146-Q148 PolarHBondContact OD1-N 2.64Å; Q148-W150 VanDerWaalsContact C-N 3.33Å; Q148-W150 PolarHBondContact O-N 3.17Å; Q148-Q151 PolarHBondContact O-N 3.47Å; Q148-K152 VanDerWaalsContact O-CB 3.26Å; Q148-K152 WeakPolarHBondContact O-CB 3.46Å; Q148-K152 PolarHBondContact O-N 3.31Å
149	A	96.3	Very high	95.2	Very high	32 Å²	32	54.1 Å²	54.1	26%	0.264	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-41.9	172.3	0	0	0	0	0	112.1	E144 D146 T153	E144-A149 HydrophobicContact CG-CB 4.36Å; D146-A149 HydrophobicContact CB-CB 3.93Å; D146-A149 PolarHBondContact O-N 2.74Å; D146-A149 PolarHBondContact OD1-N 3.21Å; D146-A149 WeakPolarHBondContact OD2-CB 3.49Å; D146-A149 PolarHBondContact OD2-N 2.79Å; A149-T153 WeakPolarHBondContact O-CB 3.45Å; A149-T153 PolarHBondContact O-N 3.17Å; A149-T153 PolarHBondContact O-OG1 3.12Å
150	W	97.1	Very high	95.4	Very high	6 Å²	6	53.2 Å²	53.2	2%	0.023	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-48.4	175.7	-177.4	81.6	0	0	0	112.1	E144 D146 P147 Q148 K152 T153 L154 L225 V229 F458 Y462	E144-W150 HydrophobicContact CB-CB 3.91Å; E144-W150 HydrophobicContact CB-CG 4.38Å; E144-W150 HydrophobicContact CG-CB 3.87Å; D146-W150 PolarHBondContact O-N 2.96Å; D146-W150 VanDerWaalsContact O-N 3.14Å; P147-W150 PolarHBondContact O-N 3.22Å; Q148-W150 VanDerWaalsContact C-N 3.33Å; Q148-W150 PolarHBondContact O-N 3.17Å; W150-K152 VanDerWaalsContact C-N 3.32Å; W150-K152 PolarHBondContact O-N 3.3Å; W150-T153 WeakPolarHBondContact O-CB 3.27Å; W150-T153 PolarHBondContact O-N 3.13Å; W150-L154 HydrophobicContact CD2-CD1 4.24Å; W150-L154 HydrophobicContact CH2-CD1 3.81Å; W150-L154 HydrophobicContact CZ2-CD1 3.3Å; W150-L154 HydrophobicContact CZ2-CG 4.46Å; W150-L154 HydrophobicContact CZ3-CD1 4.44Å; W150-L154 PolarHBondContact O-N 3.07Å; W150-L225 HydrophobicContact CH2-CD2 3.94Å; W150-L225 HydrophobicContact CZ2-CD2 4.18Å; W150-V229 HydrophobicContact CB-CB 4.21Å; W150-V229 HydrophobicContact CB-CG2 3.87Å; W150-V229 HydrophobicContact CD2-CB 3.65Å; W150-V229 HydrophobicContact CD2-CG1 3.89Å; W150-V229 HydrophobicContact CD2-CG2 3.93Å; W150-V229 HydrophobicContact CE3-CB 4.12Å; W150-V229 HydrophobicContact CE3-CG1 4.03Å; W150-V229 HydrophobicContact CE3-CG2 4.08Å; W150-V229 HydrophobicContact CG-CB 3.67Å; W150-V229 HydrophobicContact CG-CG1 4.44Å; W150-V229 HydrophobicContact CG-CG2 3.85Å; W150-V229 HydrophobicContact CH2-CG1 4.12Å; W150-V229 HydrophobicContact CZ2-CG1 3.97Å; W150-V229 HydrophobicContact CZ3-CG1 4.16Å; W150-F458 HydrophobicContact CH2-CB 3.96Å; W150-F458 HydrophobicContact CZ2-CB 4.07Å; W150-Y462 HydrophobicContact CE3-CD1 4.27Å; W150-Y462 HydrophobicContact CE3-CG 4.42Å; W150-Y462 HydrophobicContact CH2-CG 4.32Å; W150-Y462 AromaticContact CZ3-CD1 3.85Å; W150-Y462 HydrophobicContact CZ3-CD1 3.85Å; W150-Y462 HydrophobicContact CZ3-CD2 4.37Å; W150-Y462 AromaticContact CZ3-CG 3.71Å; W150-Y462 HydrophobicContact CZ3-CG 3.71Å
151	Q	97.6	Very high	95.5	Very high	35 Å²	35	56.9 Å²	56.9	16%	0.164	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-41	178.4	-75	-177.7	35.6	0	0	111.9	P147 Q148 L154 S155 C156 Y462	P147-Q151 WeakPolarHBondContact O-CB 3.35Å; P147-Q151 VanDerWaalsContact O-CG 3.23Å; P147-Q151 WeakPolarHBondContact O-CG 3.41Å; P147-Q151 PolarHBondContact O-N 2.89Å; Q148-Q151 PolarHBondContact O-N 3.47Å; Q151-L154 CarbonylContact O-C 3.47Å; Q151-L154 PolarHBondContact O-N 2.79Å; Q151-S155 PolarHBondContact O-N 3Å; Q151-C156 VanDerWaalsContact CA-SG 3.58Å; Q151-C156 HydrophobicContact CB-CB 3.96Å; Q151-C156 HydrophobicContact CG-CB 4.18Å; Q151-C156 PolarHBondContact O-N 3.33Å; Q151-Y462 HydrophobicContact CG-CD1 4.36Å; Q151-Y462 VanDerWaalsContact NE2-CE1 3.29Å
152	K	97.1	Very high	95.8	Very high	176 Å²	176	53.4 Å²	53.4	77%	0.765	31%	0.306	S	S	*	.	H	α-helix	trans	-62.7	-43.3	175.7	-175.5	179.8	180	-179.7	0	111.5	Q148 W150 L154 S155	Q148-K152 VanDerWaalsContact O-CB 3.26Å; Q148-K152 WeakPolarHBondContact O-CB 3.46Å; Q148-K152 PolarHBondContact O-N 3.31Å; W150-K152 VanDerWaalsContact C-N 3.32Å; W150-K152 PolarHBondContact O-N 3.3Å; K152-L154 VanDerWaalsContact C-N 3.35Å; K152-L154 PolarHBondContact O-N 2.94Å; K152-S155 PolarHBondContact O-N 2.89Å; K152-S155 VanDerWaalsContact O-N 3.11Å
153	T	95.8	Very high	96.1	Very high	28 Å²	28	53.5 Å²	53.5	17%	0.172	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-45.4	176.7	-64.8	0	0	0	0	111.5	Q39 T41 A42 A149 W150 S155	Q39-T153 PolarHBondContact OE1-O 3.24Å; T41-T153 VanDerWaalsContact OG1-CG2 3.24Å; T41-T153 WeakPolarHBondContact OG1-CG2 3.25Å; A42-T153 HydrophobicContact CB-CG2 4.05Å; A149-T153 WeakPolarHBondContact O-CB 3.45Å; A149-T153 PolarHBondContact O-N 3.17Å; A149-T153 PolarHBondContact O-OG1 3.12Å; W150-T153 WeakPolarHBondContact O-CB 3.27Å; W150-T153 PolarHBondContact O-N 3.13Å; T153-S155 PolarHBondContact O-N 2.84Å
154	L	96.2	Very high	96.2	Very high	10 Å²	10	56.8 Å²	56.8	5%	0.052	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	0.5	178.1	-65.5	-169.2	0	0	0	114.1	A42 L44 W150 Q151 K152 C156 P455 F458	A42-L154 HydrophobicContact CB-CD2 4.24Å; L44-L154 HydrophobicContact CD2-CD2 4.43Å; W150-L154 HydrophobicContact CD2-CD1 4.24Å; W150-L154 HydrophobicContact CH2-CD1 3.81Å; W150-L154 HydrophobicContact CZ2-CD1 3.3Å; W150-L154 HydrophobicContact CZ2-CG 4.46Å; W150-L154 HydrophobicContact CZ3-CD1 4.44Å; W150-L154 PolarHBondContact O-N 3.07Å; Q151-L154 CarbonylContact O-C 3.47Å; Q151-L154 PolarHBondContact O-N 2.79Å; K152-L154 VanDerWaalsContact C-N 3.35Å; K152-L154 PolarHBondContact O-N 2.94Å; L154-C156 PolarHBondContact O-N 2.9Å; L154-P455 HydrophobicContact CB-CB 4.22Å; L154-P455 HydrophobicContact CD2-CB 4.34Å; L154-F458 HydrophobicContact CD1-CB 4.18Å
155	S	96.4	Very high	96.3	Very high	88 Å²	88	59.9 Å²	59.9	62%	0.615	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	43	-175	-54.8	0	0	0	0	112.2	Q151 K152 T153	Q151-S155 PolarHBondContact O-N 3Å; K152-S155 PolarHBondContact O-N 2.89Å; K152-S155 VanDerWaalsContact O-N 3.11Å; T153-S155 PolarHBondContact O-N 2.84Å
156	C	97.6	Very high	96.5	Very high	21 Å²	21	56.7 Å²	56.7	14%	0.142	32%	0.32	C	S	.	.			trans	-58.1	135.2	176.3	-61.7	0	0	0	0	110.1	Q151 L154 C459	Q151-C156 VanDerWaalsContact CA-SG 3.58Å; Q151-C156 HydrophobicContact CB-CB 3.96Å; Q151-C156 HydrophobicContact CG-CB 4.18Å; Q151-C156 PolarHBondContact O-N 3.33Å; L154-C156 PolarHBondContact O-N 2.9Å; C156-C459 WeakPolarHBondContact CA-SG 3.27Å; C156-C459 HydrophobicContact CB-CB 3.6Å; C156-C459 WeakPolarHBondContact CB-SG 3.48Å; C156-C459 WeakPolarHBondContact SG-CB 3.44Å; C156-C459 CovalentContact SG-SG 2.02Å; C156-C459 PolarHBondContact SG-SG 2.88Å
157	P	95.8	Very high	96.7	Very high	35 Å²	35	53.2 Å²	53.2	23%	0.227	30%	0.301	C	S	.	.			trans	-64.1	156.5	177.6	31	-38.6	0	0	0	110.2	T159 E160 K463	P157-T159 VanDerWaalsContact C-N 3.35Å; P157-E160 HydrophobicContact CG-CG 4.18Å; P157-E160 WeakPolarHBondContact CG-OE1 3.26Å; P157-K463 WeakPolarHBondContact O-CE 3.16Å; P157-K463 PolarHBondContact O-NZ 2.98Å
158	A	93.4	Very high	96.7	Very high	93 Å²	93	56.8 Å²	56.8	77%	0.769	32%	0.322	S	S	*	.	S	Bend	trans	-66.1	-41.5	175.7	0	0	0	0	0	111.3	K463	A158-K463 PolarHBondContact O-NZ 3.3Å
159	T	93.4	Very high	96.7	Very high	96 Å²	96	50.2 Å²	50.2	59%	0.589	29%	0.293	S	S	*	.			trans	-126.3	148.6	-174.5	56	0	0	0	0	111.7	P157	P157-T159 VanDerWaalsContact C-N 3.35Å
160	E	96.5	Very high	96.8	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.056	28%	0.282	C	S	.	.			trans	-127	106.3	172.6	-67.1	-74	-166.3	0	0	108.8	P157 Q162 I163 E164 R456 Y460 K463	P157-E160 HydrophobicContact CG-CG 4.18Å; P157-E160 WeakPolarHBondContact CG-OE1 3.26Å; E160-Q162 VanDerWaalsContact C-N 3.27Å; E160-Q162 PolarHBondContact O-N 3.44Å; E160-I163 HydrophobicContact CB-CB 3.9Å; E160-I163 HydrophobicContact CB-CD1 3.63Å; E160-I163 HydrophobicContact CB-CG1 3.7Å; E160-I163 HydrophobicContact CG-CD1 3.82Å; E160-I163 HydrophobicContact CG-CG1 4.42Å; E160-I163 PolarHBondContact O-N 3.39Å; E160-E164 PolarHBondContact O-N 3.04Å; E160-R456 IonicContact OE1-CZ 3.58Å; E160-R456 IonicContact OE1-NH1 3.98Å; E160-R456 PolarHBondContact OE1-NH1 3.48Å; E160-R456 IonicContact OE1-NH2 3.75Å; E160-R456 PolarHBondContact OE1-NH2 2.76Å; E160-R456 IonicContact OE2-CZ 3.38Å; E160-R456 IonicContact OE2-NH1 3.16Å; E160-R456 IonicContact OE2-NH2 2.7Å; E160-R456 PolarHBondContact OE2-NH2 2.88Å; E160-Y460 HydrophobicContact CB-CE2 4.5Å; E160-Y460 HydrophobicContact CG-CD2 4.29Å; E160-K463 HydrophobicContact CG-CD 3.6Å
161	P	96.5	Very high	96.7	Very high	80 Å²	80	53 Å²	53	52%	0.519	31%	0.309	S	S	.	.	H	α-helix	trans	-55.1	-38.3	-173	-29.1	35.8	0	0	0	114.3	E164 Q165 V405	P161-E164 PolarHBondContact O-N 2.87Å; P161-Q165 WeakPolarHBondContact O-CB 3.49Å; P161-Q165 PolarHBondContact O-N 2.99Å; P161-V405 HydrophobicContact CB-CG1 4.22Å
162	Q	98	Very high	96.6	Very high	6 Å²	6	55 Å²	55	3%	0.028	33%	0.327	C	S	.	.	H	α-helix	trans	-64.2	-45.2	177.1	-172.3	67.1	58.8	0	0	111.6	E160 E164 Q165 D166 Y400 H402 V405 Y460	E160-Q162 VanDerWaalsContact C-N 3.27Å; E160-Q162 PolarHBondContact O-N 3.44Å; Q162-E164 VanDerWaalsContact C-N 3.29Å; Q162-E164 PolarHBondContact O-N 3.28Å; Q162-Q165 PolarHBondContact O-N 3.04Å; Q162-D166 PolarHBondContact NE2-OD1 3.4Å; Q162-D166 VanDerWaalsContact O-CG 3.23Å; Q162-D166 PolarHBondContact O-N 3.47Å; Q162-Y400 VanDerWaalsContact NE2-CE2 3.26Å; Q162-H402 VanDerWaalsContact CB-O 3.32Å; Q162-H402 WeakPolarHBondContact CB-O 3.44Å; Q162-H402 WeakPolarHBondContact CG-O 3.49Å; Q162-V405 HydrophobicContact CB-CG1 3.98Å; Q162-Y460 HydrophobicContact CB-CE2 4.32Å; Q162-Y460 VanDerWaalsContact CG-OH 3.28Å; Q162-Y460 WeakPolarHBondContact CG-OH 3.04Å
163	I	98.5	Very high	96.7	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-34.8	176.9	-56.5	-178	0	0	0	110.8	E160 F167 Y460 K463 V464 K467	E160-I163 HydrophobicContact CB-CB 3.9Å; E160-I163 HydrophobicContact CB-CD1 3.63Å; E160-I163 HydrophobicContact CB-CG1 3.7Å; E160-I163 HydrophobicContact CG-CD1 3.82Å; E160-I163 HydrophobicContact CG-CG1 4.42Å; E160-I163 PolarHBondContact O-N 3.39Å; I163-F167 HydrophobicContact CG2-CD2 3.86Å; I163-F167 HydrophobicContact CG2-CE2 3.94Å; I163-F167 VanDerWaalsContact O-CD2 3.25Å; I163-F167 WeakPolarHBondContact O-CD2 3.34Å; I163-F167 PolarHBondContact O-N 3.11Å; I163-Y460 HydrophobicContact CD1-CD1 4.13Å; I163-Y460 HydrophobicContact CD1-CD2 3.95Å; I163-Y460 HydrophobicContact CD1-CE1 4.04Å; I163-Y460 HydrophobicContact CD1-CE2 3.88Å; I163-Y460 HydrophobicContact CD1-CG 4.08Å; I163-Y460 HydrophobicContact CG1-CD2 4.22Å; I163-Y460 HydrophobicContact CG1-CE1 3.95Å; I163-Y460 HydrophobicContact CG1-CE2 3.62Å; I163-Y460 VanDerWaalsContact CG1-CZ 3.45Å; I163-K463 HydrophobicContact CD1-CB 3.64Å; I163-V464 HydrophobicContact CD1-CG2 3.58Å; I163-V464 HydrophobicContact CG1-CG2 3.79Å; I163-V464 HydrophobicContact CG2-CG2 4.4Å; I163-K467 HydrophobicContact CG2-CB 4.46Å; I163-K467 HydrophobicContact CG2-CD 3.63Å; I163-K467 PolarHBondContact O-NZ 3.09Å; I163-K467 VanDerWaalsContact O-NZ 3.12Å
164	E	97.8	Very high	96.7	Very high	93 Å²	93	49 Å²	49	44%	0.435	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-45.6	172.3	-65.8	-49	123.1	0	0	112.3	E160 P161 Q162 T168 K467	E160-E164 PolarHBondContact O-N 3.04Å; P161-E164 PolarHBondContact O-N 2.87Å; Q162-E164 VanDerWaalsContact C-N 3.29Å; Q162-E164 PolarHBondContact O-N 3.28Å; E164-T168 PolarHBondContact O-N 2.81Å; E164-T168 PolarHBondContact O-OG1 3.31Å; E164-K467 VanDerWaalsContact CA-NZ 3.35Å; E164-K467 IonicContact OE1-NZ 3.18Å; E164-K467 PolarHBondContact OE1-NZ 3.41Å; E164-K467 IonicContact OE2-NZ 3.68Å; E164-K467 PolarHBondContact OE2-NZ 2.83Å
165	Q	97.4	Very high	96.7	Very high	108 Å²	108	48.6 Å²	48.6	51%	0.505	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-49.4	179.3	-175.6	172.5	-10.9	0	0	112.5	P161 Q162 F167 T168	P161-Q165 WeakPolarHBondContact O-CB 3.49Å; P161-Q165 PolarHBondContact O-N 2.99Å; Q162-Q165 PolarHBondContact O-N 3.04Å; Q165-F167 VanDerWaalsContact C-N 3.32Å; Q165-F167 PolarHBondContact O-N 2.66Å; Q165-T168 VanDerWaalsContact O-CB 3.27Å; Q165-T168 WeakPolarHBondContact O-CB 3.22Å; Q165-T168 PolarHBondContact O-N 2.78Å; Q165-T168 VanDerWaalsContact O-N 3.12Å; Q165-T168 PolarHBondContact O-OG1 3.07Å
166	D	98.1	Very high	96.7	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.043	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-42.8	-176.4	-68.2	-6.2	0	0	0	111.6	Q162 T168 F170 I271 I272	Q162-D166 PolarHBondContact NE2-OD1 3.4Å; Q162-D166 VanDerWaalsContact O-CG 3.23Å; Q162-D166 PolarHBondContact O-N 3.47Å; D166-T168 VanDerWaalsContact C-N 3.29Å; D166-T168 PolarHBondContact O-N 2.96Å; D166-F170 WeakPolarHBondContact O-CD2 3.19Å; D166-I271 HydrophobicContact CB-CB 4.46Å; D166-I271 HydrophobicContact CB-CG1 4.26Å; D166-I271 HydrophobicContact CB-CG2 4.44Å; D166-I272 PolarHBondContact OD2-N 3.06Å
167	F	98.1	Very high	96.6	Very high	2 Å²	2	51 Å²	51	1%	0.009	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-79.9	-4.3	-179	-79.4	-91.8	0	0	0	114.6	I163 Q165 S169 F170 I173 I271 V464 K467 Y468 R471	I163-F167 HydrophobicContact CG2-CD2 3.86Å; I163-F167 HydrophobicContact CG2-CE2 3.94Å; I163-F167 VanDerWaalsContact O-CD2 3.25Å; I163-F167 WeakPolarHBondContact O-CD2 3.34Å; I163-F167 PolarHBondContact O-N 3.11Å; Q165-F167 VanDerWaalsContact C-N 3.32Å; Q165-F167 PolarHBondContact O-N 2.66Å; F167-S169 PolarHBondContact O-N 3.02Å; F167-F170 CarbonylContact O-C 3.6Å; F167-F170 PolarHBondContact O-N 2.94Å; F167-I173 HydrophobicContact CE1-CD1 4.33Å; F167-I271 HydrophobicContact CD1-CD1 4.32Å; F167-I271 HydrophobicContact CD2-CG2 4.42Å; F167-I271 HydrophobicContact CE1-CD1 3.77Å; F167-I271 HydrophobicContact CE2-CD1 4.04Å; F167-I271 HydrophobicContact CE2-CG1 4.26Å; F167-I271 HydrophobicContact CE2-CG2 3.69Å; F167-I271 HydrophobicContact CZ-CD1 3.65Å; F167-I271 HydrophobicContact CZ-CG1 4.37Å; F167-I271 HydrophobicContact CZ-CG2 4.14Å; F167-V464 HydrophobicContact CE2-CG1 4.33Å; F167-V464 HydrophobicContact CZ-CG1 4.4Å; F167-K467 HydrophobicContact CB-CD 3.9Å; F167-K467 VanDerWaalsContact CB-CE 3.48Å; F167-K467 HydrophobicContact CB-CG 4.45Å; F167-K467 HydrophobicContact CD1-CD 4.2Å; F167-K467 HydrophobicContact CD1-CG 3.94Å; F167-K467 HydrophobicContact CD2-CB 4.46Å; F167-K467 HydrophobicContact CD2-CD 3.63Å; F167-K467 HydrophobicContact CD2-CG 4.11Å; F167-K467 HydrophobicContact CE1-CB 4.3Å; F167-K467 HydrophobicContact CE1-CG 4.13Å; F167-K467 HydrophobicContact CE2-CB 4.14Å; F167-K467 HydrophobicContact CE2-CD 4.11Å; F167-K467 HydrophobicContact CE2-CG 4.25Å; F167-K467 HydrophobicContact CG-CD 3.63Å; F167-K467 HydrophobicContact CG-CG 3.9Å; F167-K467 HydrophobicContact CZ-CB 4.03Å; F167-K467 HydrophobicContact CZ-CG 4.25Å; F167-Y468 HydrophobicContact CE1-CD2 4.15Å; F167-Y468 HydrophobicContact CE1-CG 4.4Å; F167-Y468 HydrophobicContact CZ-CD2 4.08Å; F167-Y468 HydrophobicContact CZ-CG 4.44Å; F167-R471 HydrophobicContact CD1-CG 4.31Å
168	T	96.8	Very high	96.6	Very high	108 Å²	108	49.4 Å²	49.4	66%	0.663	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-59.8	-30.8	175.5	-63.9	0	0	0	0	111.4	E164 Q165 D166 F170	E164-T168 PolarHBondContact O-N 2.81Å; E164-T168 PolarHBondContact O-OG1 3.31Å; Q165-T168 VanDerWaalsContact O-CB 3.27Å; Q165-T168 WeakPolarHBondContact O-CB 3.22Å; Q165-T168 PolarHBondContact O-N 2.78Å; Q165-T168 VanDerWaalsContact O-N 3.12Å; Q165-T168 PolarHBondContact O-OG1 3.07Å; D166-T168 VanDerWaalsContact C-N 3.29Å; D166-T168 PolarHBondContact O-N 2.96Å; T168-F170 VanDerWaalsContact C-N 3.29Å; T168-F170 PolarHBondContact O-N 3.12Å
169	S	96.6	Very high	96.7	Very high	15 Å²	15	46.7 Å²	46.7	11%	0.105	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-79.9	-9.3	179.3	-51.6	0	0	0	0	113.8	F167 P171 R269	F167-S169 PolarHBondContact O-N 3.02Å; S169-P171 WeakPolarHBondContact O-CD 3.24Å; S169-R269 WeakPolarHBondContact OG-CD 3.41Å
170	F	97.3	Very high	96.8	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	27%	0.268	C	S	.	.			trans	-130.7	68	-171.2	-49.8	-66.4	0	0	0	111	D166 F167 T168 S172 I173 P256 I257 P258 R269 I271	D166-F170 WeakPolarHBondContact O-CD2 3.19Å; F167-F170 CarbonylContact O-C 3.6Å; F167-F170 PolarHBondContact O-N 2.94Å; T168-F170 VanDerWaalsContact C-N 3.29Å; T168-F170 PolarHBondContact O-N 3.12Å; F170-S172 PolarHBondContact O-N 2.9Å; F170-I173 HydrophobicContact CB-CG1 4.19Å; F170-P256 HydrophobicContact CE1-CB 3.95Å; F170-P256 HydrophobicContact CE1-CG 4.01Å; F170-P256 HydrophobicContact CZ-CB 4.39Å; F170-I257 VanDerWaalsContact CE1-C 3.49Å; F170-P258 HydrophobicContact CD1-CB 3.92Å; F170-P258 HydrophobicContact CD1-CG 4.22Å; F170-P258 HydrophobicContact CD2-CB 3.95Å; F170-P258 HydrophobicContact CE1-CB 3.99Å; F170-P258 HydrophobicContact CE1-CG 4.49Å; F170-P258 HydrophobicContact CE2-CB 4.01Å; F170-P258 HydrophobicContact CG-CB 3.9Å; F170-P258 HydrophobicContact CG-CG 4.44Å; F170-P258 HydrophobicContact CZ-CB 4.03Å; F170-R269 HydrophobicContact CE2-CB 4.44Å; F170-R269 WeakPolarHBondContact CE2-O 3.5Å; F170-R269 HydrophobicContact CZ-CB 3.86Å; F170-R269 WeakPolarHBondContact CZ-O 3.2Å; F170-I271 HydrophobicContact CD2-CD1 4.24Å; F170-I271 HydrophobicContact CD2-CG1 4.3Å; F170-I271 HydrophobicContact CE2-CD1 4.41Å; F170-I271 HydrophobicContact CE2-CG1 4.14Å
171	P	95.5	Very high	96.8	Very high	93 Å²	93	51.2 Å²	51.2	60%	0.604	27%	0.273	S	S	*	.	S	Bend	trans	-63.7	-26.5	178	26.6	-34.5	0	0	0	112.6	S169 R471	S169-P171 WeakPolarHBondContact O-CD 3.24Å; P171-R471 VanDerWaalsContact CA-NH1 3.27Å; P171-R471 WeakPolarHBondContact O-CD 3.42Å; P171-R471 PolarHBondContact O-NH1 3.38Å
172	S	96.2	Very high	96.8	Very high	76 Å²	76	47.4 Å²	47.4	53%	0.531	25%	0.248	S	C	.	.	S	Bend	trans	-143.9	148.4	171.5	179.3	0	0	0	0	108.5	F170 R471	F170-S172 PolarHBondContact O-N 2.9Å; S172-R471 CarbonylContact C-O 3.53Å; S172-R471 WeakPolarHBondContact CA-O 3.47Å
173	I	97.8	Very high	96.6	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-117.9	114.6	-178.6	-57.4	176.4	0	0	0	108.8	F167 F170 L175 M178 P258 Y468 R471 A473	F167-I173 HydrophobicContact CE1-CD1 4.33Å; F170-I173 HydrophobicContact CB-CG1 4.19Å; I173-L175 HydrophobicContact CG2-CD2 4.24Å; I173-L175 PolarHBondContact O-N 3.39Å; I173-M178 HydrophobicContact CG2-SD 3.53Å; I173-M178 VanDerWaalsContact CG2-SD 3.53Å; I173-P258 HydrophobicContact CB-CG 4.26Å; I173-P258 HydrophobicContact CD1-CB 4.35Å; I173-P258 HydrophobicContact CD1-CG 3.91Å; I173-P258 HydrophobicContact CG1-CG 3.87Å; I173-P258 HydrophobicContact CG2-CG 3.54Å; I173-Y468 HydrophobicContact CD1-CD1 3.85Å; I173-Y468 HydrophobicContact CD1-CD2 4.02Å; I173-Y468 HydrophobicContact CD1-CE1 3.75Å; I173-Y468 HydrophobicContact CD1-CE2 3.95Å; I173-Y468 HydrophobicContact CD1-CG 3.97Å; I173-Y468 HydrophobicContact CG2-CE1 4.14Å; I173-R471 HydrophobicContact CD1-CB 3.8Å; I173-R471 HydrophobicContact CG1-CB 3.9Å; I173-R471 PolarHBondContact N-O 2.95Å; I173-A473 WeakPolarHBondContact O-CB 3.45Å; I173-A473 PolarHBondContact O-N 2.83Å
174	D	96.8	Very high	96.4	Very high	76 Å²	76	55.9 Å²	55.9	41%	0.406	29%	0.287	S	S	.	.			trans	-88.5	103.8	177	-176.5	-16.7	0	0	0	110.6	Q176 Q177 M178	D174-Q176 VanDerWaalsContact C-N 3.28Å; D174-Q176 PolarHBondContact O-N 2.65Å; D174-Q176 WeakPolarHBondContact OD1-CA 3.46Å; D174-Q176 WeakPolarHBondContact OD1-CB 3.27Å; D174-Q176 PolarHBondContact OD1-N 2.98Å; D174-Q177 HydrophobicContact CB-CB 3.88Å; D174-Q177 PolarHBondContact O-N 3.19Å; D174-Q177 PolarHBondContact OD1-N 3.46Å; D174-Q177 VanDerWaalsContact OD1-N 3.07Å; D174-M178 WeakPolarHBondContact O-CG 3.18Å; D174-M178 PolarHBondContact O-N 3.24Å; D174-M178 VanDerWaalsContact O-N 3.11Å
175	L	96.6	Very high	96.2	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-31.9	179.6	-59.9	-174.7	0	0	0	112.4	I173 M178 L179 E235 Q472 S474	I173-L175 HydrophobicContact CG2-CD2 4.24Å; I173-L175 PolarHBondContact O-N 3.39Å; L175-M178 HydrophobicContact CD2-SD 4.4Å; L175-M178 PolarHBondContact O-N 2.94Å; L175-L179 WeakPolarHBondContact O-CB 3.3Å; L175-L179 WeakPolarHBondContact O-CD1 3.09Å; L175-L179 WeakPolarHBondContact O-CG 2.99Å; L175-L179 PolarHBondContact O-N 2.75Å; L175-E235 HydrophobicContact CD1-CB 4.1Å; L175-E235 HydrophobicContact CD2-CB 4.27Å; L175-E235 WeakPolarHBondContact CD2-O 3.44Å; L175-Q472 HydrophobicContact CD1-CB 4.49Å; L175-Q472 HydrophobicContact CD2-CB 4.3Å; L175-Q472 HydrophobicContact CG-CB 4.4Å; L175-S474 WeakPolarHBondContact CD1-O 3.3Å; L175-S474 WeakPolarHBondContact CD1-OG 3.17Å
176	Q	95.8	Very high	96	Very high	112 Å²	112	52.2 Å²	52.2	52%	0.523	27%	0.265	S	S	.	.	H	α-helix	trans	-69.8	-40.1	178.7	-64.4	-56.9	-48.4	0	0	111.3	D174 M178 L179 K180	D174-Q176 VanDerWaalsContact C-N 3.28Å; D174-Q176 PolarHBondContact O-N 2.65Å; D174-Q176 WeakPolarHBondContact OD1-CA 3.46Å; D174-Q176 WeakPolarHBondContact OD1-CB 3.27Å; D174-Q176 PolarHBondContact OD1-N 2.98Å; Q176-M178 VanDerWaalsContact C-N 3.33Å; Q176-L179 PolarHBondContact O-N 3.03Å; Q176-K180 WeakPolarHBondContact O-CB 3.38Å; Q176-K180 PolarHBondContact O-N 2.79Å; Q176-K180 VanDerWaalsContact O-N 3.16Å
177	Q	96	Very high	95.4	Very high	48 Å²	48	51.8 Å²	51.8	22%	0.224	26%	0.263	C	S	.	.	H	α-helix	trans	-59.5	-46.7	172.4	-171.1	-172.2	1	0	0	110.8	D174 K180 E181 I257	D174-Q177 HydrophobicContact CB-CB 3.88Å; D174-Q177 PolarHBondContact O-N 3.19Å; D174-Q177 PolarHBondContact OD1-N 3.46Å; D174-Q177 VanDerWaalsContact OD1-N 3.07Å; Q177-K180 PolarHBondContact O-N 3.43Å; Q177-E181 HydrophobicContact CG-CG 4.31Å; Q177-E181 VanDerWaalsContact CG-OE1 3.26Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.04Å; Q177-E181 PolarHBondContact NE2-OE1 2.54Å; Q177-E181 WeakPolarHBondContact O-CB 3.13Å; Q177-E181 PolarHBondContact O-N 2.7Å; Q177-I257 HydrophobicContact CG-CG2 4.07Å
178	M	96.4	Very high	94.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-47.3	179.1	-67.6	-173.7	74.5	0	0	112.7	I173 D174 L175 Q176 K180 E181 V182 Y237 I257 P258 I259 Y468	I173-M178 HydrophobicContact CG2-SD 3.53Å; I173-M178 VanDerWaalsContact CG2-SD 3.53Å; D174-M178 WeakPolarHBondContact O-CG 3.18Å; D174-M178 PolarHBondContact O-N 3.24Å; D174-M178 VanDerWaalsContact O-N 3.11Å; L175-M178 HydrophobicContact CD2-SD 4.4Å; L175-M178 PolarHBondContact O-N 2.94Å; Q176-M178 VanDerWaalsContact C-N 3.33Å; M178-K180 PolarHBondContact O-N 3.41Å; M178-E181 PolarHBondContact O-N 3.07Å; M178-V182 HydrophobicContact CB-CG2 4.32Å; M178-V182 HydrophobicContact CE-CG2 4.47Å; M178-V182 WeakPolarHBondContact O-CB 2.97Å; M178-V182 WeakPolarHBondContact O-CG2 2.92Å; M178-V182 PolarHBondContact O-N 2.94Å; M178-Y237 HydrophobicContact CB-CE2 4Å; M178-Y237 HydrophobicContact CE-CD2 3.5Å; M178-Y237 VanDerWaalsContact CE-CD2 3.5Å; M178-Y237 HydrophobicContact CE-CE2 4.05Å; M178-Y237 HydrophobicContact CE-CG 4.46Å; M178-I257 HydrophobicContact CG-CB 4.34Å; M178-I257 HydrophobicContact CG-CG2 4.42Å; M178-P258 HydrophobicContact CE-CG 4.07Å; M178-P258 WeakPolarHBondContact CE-O 3.14Å; M178-P258 HydrophobicContact SD-CG 3.77Å; M178-I259 HydrophobicContact CE-CD1 4.45Å; M178-Y468 WeakPolarHBondContact CE-OH 3.41Å; M178-Y468 PolarHBondContact SD-OH 3.23Å
179	L	95.6	Very high	93.1	Very high	36 Å²	36	59.8 Å²	59.8	19%	0.188	30%	0.297	C	S	.	.	H	α-helix	trans	-56.1	-36.3	177.6	-76.4	165.2	0	0	0	112.6	L175 Q176 P183 Y237 R479	L175-L179 WeakPolarHBondContact O-CB 3.3Å; L175-L179 WeakPolarHBondContact O-CD1 3.09Å; L175-L179 WeakPolarHBondContact O-CG 2.99Å; L175-L179 PolarHBondContact O-N 2.75Å; Q176-L179 PolarHBondContact O-N 3.03Å; L179-P183 VanDerWaalsContact O-CD 3.29Å; L179-P183 WeakPolarHBondContact O-CD 3.09Å; L179-P183 WeakPolarHBondContact O-CG 3.36Å; L179-Y237 WeakPolarHBondContact CA-OH 3.45Å; L179-R479 HydrophobicContact CD2-CG 4.16Å
180	K	95.4	Very high	91.7	Very high	170 Å²	170	68.7 Å²	68.7	74%	0.739	33%	0.328	S	S	*	.	H	α-helix	trans	-80	-44.3	179.1	-175.8	-178.5	178.6	-177.3	0	112.7	Q176 Q177 M178	Q176-K180 WeakPolarHBondContact O-CB 3.38Å; Q176-K180 PolarHBondContact O-N 2.79Å; Q176-K180 VanDerWaalsContact O-N 3.16Å; Q177-K180 PolarHBondContact O-N 3.43Å; M178-K180 PolarHBondContact O-N 3.41Å
181	E	96.3	Very high	90.9	Very high	33 Å²	33	68.9 Å²	68.9	15%	0.154	33%	0.331	C	S	.	.	H	α-helix	trans	-88.5	-39.9	-169.3	-72.1	-168.1	-144.1	0	0	113.6	Q177 M178 K184 R185 R248 I257	Q177-E181 HydrophobicContact CG-CG 4.31Å; Q177-E181 VanDerWaalsContact CG-OE1 3.26Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.04Å; Q177-E181 PolarHBondContact NE2-OE1 2.54Å; Q177-E181 WeakPolarHBondContact O-CB 3.13Å; Q177-E181 PolarHBondContact O-N 2.7Å; M178-E181 PolarHBondContact O-N 3.07Å; E181-K184 PolarHBondContact O-N 3.1Å; E181-R185 VanDerWaalsContact O-CB 3.31Å; E181-R185 WeakPolarHBondContact O-CB 3.22Å; E181-R185 WeakPolarHBondContact O-CG 3.31Å; E181-R185 PolarHBondContact O-N 3.32Å; E181-R185 IonicContact OE2-NH1 2.69Å; E181-R248 IonicContact OE1-NH1 3.73Å; E181-R248 IonicContact OE2-CZ 2.95Å; E181-R248 VanDerWaalsContact OE2-CZ 3.3Å; E181-R248 IonicContact OE2-NH1 2.79Å; E181-R248 PolarHBondContact OE2-NH1 2.76Å; E181-R248 IonicContact OE2-NH2 3.15Å; E181-R248 PolarHBondContact OE2-NH2 2.75Å; E181-I257 HydrophobicContact CB-CD1 3.91Å
182	V	96.2	Very high	90.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-49.6	-172.5	178.1	0	0	0	0	112.7	M178 K184 R185 F186 G187 V193 Y237 I257 I259	M178-V182 HydrophobicContact CB-CG2 4.32Å; M178-V182 HydrophobicContact CE-CG2 4.47Å; M178-V182 WeakPolarHBondContact O-CB 2.97Å; M178-V182 WeakPolarHBondContact O-CG2 2.92Å; M178-V182 PolarHBondContact O-N 2.94Å; V182-K184 VanDerWaalsContact C-N 3.32Å; V182-K184 PolarHBondContact O-N 3.36Å; V182-R185 PolarHBondContact O-N 3.26Å; V182-F186 HydrophobicContact CG1-CB 4.49Å; V182-F186 HydrophobicContact CG1-CD2 4.19Å; V182-F186 WeakPolarHBondContact O-CB 3.26Å; V182-F186 PolarHBondContact O-N 2.78Å; V182-G187 PolarHBondContact O-N 2.97Å; V182-V193 HydrophobicContact CG1-CG1 3.96Å; V182-Y237 HydrophobicContact CB-CD1 3.95Å; V182-Y237 HydrophobicContact CB-CD2 4.47Å; V182-Y237 HydrophobicContact CB-CE1 3.76Å; V182-Y237 HydrophobicContact CB-CE2 4.34Å; V182-Y237 HydrophobicContact CB-CG 4.27Å; V182-Y237 HydrophobicContact CG1-CD1 3.29Å; V182-Y237 HydrophobicContact CG1-CD2 4.44Å; V182-Y237 HydrophobicContact CG1-CE1 3.53Å; V182-Y237 HydrophobicContact CG1-CG 3.76Å; V182-Y237 HydrophobicContact CG2-CD1 4.41Å; V182-Y237 HydrophobicContact CG2-CD2 4.15Å; V182-Y237 HydrophobicContact CG2-CE1 4.43Å; V182-Y237 HydrophobicContact CG2-CE2 4.2Å; V182-Y237 HydrophobicContact CG2-CG 4.22Å; V182-I257 HydrophobicContact CG2-CD1 3.49Å; V182-I257 VanDerWaalsContact CG2-CD1 3.49Å; V182-I259 HydrophobicContact CG1-CD1 4.18Å; V182-I259 HydrophobicContact CG2-CD1 3.58Å
183	P	94.3	Very high	90.8	Very high	18 Å²	18	61.6 Å²	61.6	12%	0.117	28%	0.283	C	S	.	.	I	π-helix	trans	-57.9	-45.8	178.9	-23.7	35	0	0	0	111.9	L179 G187 D188 L208	L179-P183 VanDerWaalsContact O-CD 3.29Å; L179-P183 WeakPolarHBondContact O-CD 3.09Å; L179-P183 WeakPolarHBondContact O-CG 3.36Å; P183-G187 CarbonylContact O-C 3.58Å; P183-G187 WeakPolarHBondContact O-CA 3.22Å; P183-G187 PolarHBondContact O-N 3.42Å; P183-D188 VanDerWaalsContact O-CG 3.28Å; P183-D188 PolarHBondContact O-N 3.32Å; P183-L208 HydrophobicContact CB-CD1 4.35Å; P183-L208 HydrophobicContact CG-CD1 4.07Å
184	K	93.8	Very high	90.8	Very high	169 Å²	169	61.6 Å²	61.6	74%	0.735	28%	0.283	S	S	*	.	I	π-helix	trans	-66.9	-41.1	-178.5	-174	177.7	179.6	-178.9	0	113.2	E181 V182	E181-K184 PolarHBondContact O-N 3.1Å; V182-K184 VanDerWaalsContact C-N 3.32Å; V182-K184 PolarHBondContact O-N 3.36Å
185	R	93.8	Very high	90.9	Very high	93 Å²	93	58 Å²	58	35%	0.351	26%	0.264	S	S	.	.	I	π-helix	trans	-82.7	-35.1	-176	-70.4	178.4	67.6	-149.2	3.5	112.8	E181 V182 E246	E181-R185 VanDerWaalsContact O-CB 3.31Å; E181-R185 WeakPolarHBondContact O-CB 3.22Å; E181-R185 WeakPolarHBondContact O-CG 3.31Å; E181-R185 PolarHBondContact O-N 3.32Å; E181-R185 IonicContact OE2-NH1 2.69Å; V182-R185 PolarHBondContact O-N 3.26Å; R185-E246 IonicContact CZ-OE1 3.04Å; R185-E246 IonicContact CZ-OE2 2.73Å; R185-E246 IonicContact NH1-OE1 2.76Å; R185-E246 IonicContact NH1-OE2 3.44Å; R185-E246 PolarHBondContact NH1-OE2 2.92Å; R185-E246 IonicContact NH2-OE1 2.75Å; R185-E246 PolarHBondContact NH2-OE1 3.34Å; R185-E246 IonicContact NH2-OE2 3.32Å; R185-E246 PolarHBondContact NH2-OE2 2.99Å
186	F	93.3	Very high	91	Very high	30 Å²	30	57.9 Å²	57.9	13%	0.132	26%	0.263	C	S	.	.	I	π-helix	trans	-131.3	-7.7	-164.5	-52.7	-50.9	0	0	0	114.2	V182 G191 V193 L245 I257 I259	V182-F186 HydrophobicContact CG1-CB 4.49Å; V182-F186 HydrophobicContact CG1-CD2 4.19Å; V182-F186 WeakPolarHBondContact O-CB 3.26Å; V182-F186 PolarHBondContact O-N 2.78Å; F186-G191 WeakPolarHBondContact O-CA 3.43Å; F186-V193 HydrophobicContact CB-CG2 3.84Å; F186-L245 HydrophobicContact CB-CD1 4Å; F186-L245 HydrophobicContact CD1-CB 4.06Å; F186-L245 HydrophobicContact CD1-CD1 4.03Å; F186-L245 HydrophobicContact CD1-CD2 4.46Å; F186-L245 HydrophobicContact CD1-CG 4.42Å; F186-L245 HydrophobicContact CD2-CD1 4.36Å; F186-L245 HydrophobicContact CE1-CB 3.81Å; F186-L245 HydrophobicContact CE2-CB 4.39Å; F186-L245 HydrophobicContact CG-CB 4.47Å; F186-L245 HydrophobicContact CG-CD1 3.89Å; F186-L245 HydrophobicContact CZ-CB 3.97Å; F186-I257 HydrophobicContact CE2-CD1 4.1Å; F186-I257 HydrophobicContact CE2-CG1 4.48Å; F186-I259 HydrophobicContact CD2-CD1 4.36Å; F186-I259 HydrophobicContact CD2-CG1 4.42Å; F186-I259 HydrophobicContact CE2-CD1 4.38Å; F186-I259 HydrophobicContact CE2-CG1 4.11Å
187	G	85.8	Confident	91.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-106	-54.9	-175.4	0	0	0	0	0	115	V182 P183 E189 G191 G209	V182-G187 PolarHBondContact O-N 2.97Å; P183-G187 CarbonylContact O-C 3.58Å; P183-G187 WeakPolarHBondContact O-CA 3.22Å; P183-G187 PolarHBondContact O-N 3.42Å; G187-E189 PolarHBondContact O-N 3.09Å; G187-G191 PolarHBondContact O-N 2.96Å; G187-G209 WeakPolarHBondContact O-CA 3.23Å; G187-G209 PolarHBondContact O-N 3.36Å
188	D	79.4	Confident	91.2	Very high	115 Å²	115	50.2 Å²	50.2	62%	0.615	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-30.6	-152.6	-67.6	-19.4	0	0	0	116.6	P183	P183-D188 VanDerWaalsContact O-CG 3.28Å; P183-D188 PolarHBondContact O-N 3.32Å
189	E	66.8	Low	91.3	Very high	163 Å²	163	51.4 Å²	51.4	76%	0.762	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-47	-173.5	-66.4	-171.5	177.1	0	0	114.4	G187	G187-E189 PolarHBondContact O-N 3.09Å
190	R	67.9	Low	91.4	Very high	201 Å²	201	55.2 Å²	55.2	76%	0.758	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.6	20.5	-175.7	-63.6	-169.9	-179.4	-168.7	-0.3	112.9
191	G	79.7	Confident	91.5	Very high	8 Å²	8	48.6 Å²	48.6	8%	0.082	23%	0.228	C	C	.	.			trans	-59	154	-174.9	0	0	0	0	0	114.5	F186 G187 L208 G209 K210 Y211	F186-G191 WeakPolarHBondContact O-CA 3.43Å; G187-G191 PolarHBondContact O-N 2.96Å; G191-L208 CarbonylContact C-O 3.59Å; G191-G209 CarbonylContact O-C 3.37Å; G191-G209 VanDerWaalsContact O-CA 3.3Å; G191-G209 WeakPolarHBondContact O-CA 3.46Å; G191-K210 PolarHBondContact O-N 2.84Å; G191-Y211 PolarHBondContact O-N 2.83Å
192	A	93.1	Very high	91.6	Very high	16 Å²	16	52.1 Å²	52.1	13%	0.132	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	45	170.4	0	0	0	0	0	108.6	Y211 L240	A192-Y211 VanDerWaalsContact CB-O 3.27Å; A192-Y211 WeakPolarHBondContact CB-O 3.44Å; A192-L240 HydrophobicContact CB-CB 4.2Å; A192-L240 WeakPolarHBondContact O-CA 3.28Å; A192-L240 WeakPolarHBondContact O-CB 3.33Å; A192-L240 WeakPolarHBondContact O-CG 3.46Å; A192-L240 PolarHBondContact O-N 3.17Å
193	V	96.4	Very high	91.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.2	-171.5	179.7	0	0	0	0	110	V182 F186 L208 Y237 I238 L245	V182-V193 HydrophobicContact CG1-CG1 3.96Å; F186-V193 HydrophobicContact CB-CG2 3.84Å; V193-L208 HydrophobicContact CB-CB 4.42Å; V193-L208 PolarHBondContact N-O 3.02Å; V193-L208 VanDerWaalsContact N-O 3.12Å; V193-L208 CarbonylContact O-C 3.48Å; V193-L208 WeakPolarHBondContact O-CA 3.42Å; V193-L208 WeakPolarHBondContact O-CB 3.19Å; V193-L208 PolarHBondContact O-N 3.41Å; V193-Y237 HydrophobicContact CG1-CD1 3.79Å; V193-Y237 HydrophobicContact CG1-CG 4.39Å; V193-I238 CarbonylContact C-O 3.53Å; V193-I238 WeakPolarHBondContact CA-O 3.21Å; V193-L245 HydrophobicContact CG2-CD1 3.98Å
194	V	97.7	Very high	91.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.8	171.9	-175.5	0	0	0	0	109.1	Y196 R205 T212 K215 Y237 I238 L240	V194-Y196 HydrophobicContact CB-CD2 4.09Å; V194-Y196 HydrophobicContact CB-CE2 3.56Å; V194-Y196 HydrophobicContact CG1-CD2 3.73Å; V194-Y196 HydrophobicContact CG1-CE1 4.28Å; V194-Y196 HydrophobicContact CG1-CE2 3.29Å; V194-Y196 HydrophobicContact CG1-CG 4.39Å; V194-R205 HydrophobicContact CG1-CB 3.97Å; V194-T212 HydrophobicContact CG2-CG2 4.47Å; V194-K215 HydrophobicContact CG2-CB 3.87Å; V194-Y237 WeakPolarHBondContact O-CA 3.46Å; V194-I238 PolarHBondContact N-O 3.05Å; V194-I238 PolarHBondContact O-N 3.18Å; V194-L240 HydrophobicContact CG2-CD1 3.52Å; V194-L240 HydrophobicContact CG2-CG 4.18Å
195	H	98.3	Very high	92.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.4	173	-173.6	-162.9	0	0	0	108.9	R205 R206 L208 E235 F236 Y237 M482	H195-R205 CarbonylContact O-C 3.55Å; H195-R205 WeakPolarHBondContact O-CA 3.5Å; H195-R206 PolarHBondContact N-O 2.86Å; H195-R206 PolarHBondContact O-N 2.97Å; H195-L208 HydrophobicContact CB-CD1 4.32Å; H195-E235 IonicContact CE1-OE1 2.88Å; H195-E235 PolarHBondContact CE1-OE1 3.05Å; H195-E235 WeakPolarHBondContact NE2-CG 3.48Å; H195-E235 IonicContact NE2-OE1 2.64Å; H195-E235 PolarHBondContact NE2-OE1 3.26Å; H195-E235 VanDerWaalsContact NE2-OE1 3.08Å; H195-F236 PolarHBondContact CD2-O 3.49Å; H195-Y237 HydrophobicContact CB-CD1 3.76Å; H195-Y237 HydrophobicContact CB-CE1 3.53Å; H195-Y237 AromaticContact CD2-CD2 3.84Å; H195-Y237 AromaticContact CD2-CE1 3.7Å; H195-Y237 AromaticContact CD2-CE2 3.49Å; H195-Y237 VanDerWaalsContact CD2-CE2 3.49Å; H195-Y237 WeakPolarHBondContact CD2-CE2 3.31Å; H195-Y237 AromaticContact CD2-CZ 3.43Å; H195-Y237 VanDerWaalsContact CD2-CZ 3.43Å; H195-Y237 AromaticContact CE1-CZ 3.88Å; H195-Y237 AromaticContact CG-CE1 3.5Å; H195-Y237 VanDerWaalsContact CG-CE1 3.5Å; H195-Y237 AromaticContact CG-CZ 3.56Å; H195-Y237 AromaticContact ND1-CZ 3.83Å; H195-Y237 AromaticContact NE2-CE2 3.61Å; H195-Y237 AromaticContact NE2-CZ 3.65Å; H195-M482 HydrophobicContact CB-CE 4.22Å; H195-M482 WeakPolarHBondContact CE1-CE 3.37Å; H195-M482 VanDerWaalsContact CG-CE 3.47Å; H195-M482 WeakPolarHBondContact ND1-CE 3.48Å
196	Y	98.8	Very high	92.3	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.5	178.7	-75.1	-86.5	0	0	0	111	V194 I203 H204 R205 S218 D219 L222 E235 F236 I238	V194-Y196 HydrophobicContact CB-CD2 4.09Å; V194-Y196 HydrophobicContact CB-CE2 3.56Å; V194-Y196 HydrophobicContact CG1-CD2 3.73Å; V194-Y196 HydrophobicContact CG1-CE1 4.28Å; V194-Y196 HydrophobicContact CG1-CE2 3.29Å; V194-Y196 HydrophobicContact CG1-CG 4.39Å; Y196-I203 HydrophobicContact CD1-CG2 3.82Å; Y196-I203 HydrophobicContact CE1-CG2 4.18Å; Y196-H204 CarbonylContact C-O 3.47Å; Y196-H204 WeakPolarHBondContact CA-O 3.5Å; Y196-R205 HydrophobicContact CD1-CB 3.63Å; Y196-R205 HydrophobicContact CE1-CB 3.69Å; Y196-R205 HydrophobicContact CE1-CG 4.42Å; Y196-R205 HydrophobicContact CG-CB 4.28Å; Y196-S218 PolarHBondContact OH-OG 3.26Å; Y196-D219 WeakPolarHBondContact CE1-OD1 3.47Å; Y196-D219 PolarHBondContact OH-OD1 2.8Å; Y196-L222 HydrophobicContact CD1-CD1 3.81Å; Y196-L222 HydrophobicContact CE1-CD1 3.82Å; Y196-L222 HydrophobicContact CG-CD1 4.22Å; Y196-E235 WeakPolarHBondContact O-CA 3.37Å; Y196-F236 HydrophobicContact CD2-CE2 4.12Å; Y196-F236 HydrophobicContact CG-CE2 4.2Å; Y196-F236 HydrophobicContact CG-CZ 4.17Å; Y196-F236 PolarHBondContact N-O 3.24Å; Y196-F236 PolarHBondContact O-N 3.48Å; Y196-I238 HydrophobicContact CD2-CB 4.48Å; Y196-I238 HydrophobicContact CD2-CD1 4.04Å; Y196-I238 HydrophobicContact CD2-CG1 4.08Å; Y196-I238 HydrophobicContact CE2-CB 4.33Å; Y196-I238 HydrophobicContact CE2-CD1 3.88Å; Y196-I238 HydrophobicContact CE2-CG1 4.21Å
197	T	98.8	Very high	92.4	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	-126.7	125.7	167.1	-68.7	0	0	0	0	108.9	V199 H204 L234 M477 I478 M482	T197-V199 HydrophobicContact CG2-CG2 3.64Å; T197-H204 PolarHBondContact N-O 3.21Å; T197-H204 PolarHBondContact O-N 2.78Å; T197-L234 CarbonylContact C-O 3.49Å; T197-L234 WeakPolarHBondContact CA-O 3.38Å; T197-M477 PolarHBondContact OG1-O 3.21Å; T197-I478 HydrophobicContact CG2-CG1 4.29Å; T197-M482 VanDerWaalsContact OG1-CE 3.3Å; T197-M482 WeakPolarHBondContact OG1-CE 3.26Å; T197-M482 PolarHBondContact OG1-SD 2.89Å
198	I	98.8	Very high	92.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.3	170.9	-50	-175.7	0	0	0	107.2	H202 I203 L222 L231 D233 L234 F236	I198-H202 WeakPolarHBondContact CA-O 3.44Å; I198-I203 HydrophobicContact CD1-CG1 4.19Å; I198-I203 HydrophobicContact CG1-CG1 4.08Å; I198-L222 HydrophobicContact CD1-CD2 4.21Å; I198-L231 HydrophobicContact CD1-CD1 3.76Å; I198-L231 HydrophobicContact CG2-CB 3.93Å; I198-L231 HydrophobicContact CG2-CD1 4.32Å; I198-D233 CarbonylContact O-C 3.41Å; I198-D233 VanDerWaalsContact O-CA 3.22Å; I198-D233 WeakPolarHBondContact O-CA 3.2Å; I198-L234 HydrophobicContact CB-CD2 4.02Å; I198-L234 HydrophobicContact CD1-CD2 3.92Å; I198-L234 HydrophobicContact CG1-CD2 4.18Å; I198-L234 PolarHBondContact N-O 2.9Å; I198-L234 PolarHBondContact O-N 2.84Å; I198-F236 HydrophobicContact CD1-CE1 4.07Å; I198-F236 HydrophobicContact CD1-CZ 4.4Å; I198-F236 HydrophobicContact CG1-CE1 4.15Å
199	V	98.4	Very high	93.3	Very high	27 Å²	27	42.7 Å²	42.7	16%	0.164	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	129.7	177.2	170.3	0	0	0	0	108.3	T197 N201 H202 D233 P476	T197-V199 HydrophobicContact CG2-CG2 3.64Å; V199-N201 VanDerWaalsContact C-N 3.26Å; V199-N201 PolarHBondContact O-N 2.68Å; V199-H202 PolarHBondContact N-O 2.92Å; V199-H202 WeakPolarHBondContact O-CB 3.39Å; V199-H202 PolarHBondContact O-N 2.78Å; V199-D233 WeakPolarHBondContact CA-OD1 3.48Å; V199-P476 HydrophobicContact CG2-CG 4.31Å
200	N	96.9	Very high	94.3	Very high	116 Å²	116	42 Å²	42	62%	0.62	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	44.3	-178	-62.9	-53.1	0	0	0	112.3	H202 D233	N200-H202 PolarHBondContact O-CE1 3.24Å; N200-H202 PolarHBondContact O-N 2.98Å; N200-H202 VanDerWaalsContact O-N 3.14Å; N200-H202 PolarHBondContact O-ND1 3.24Å; N200-D233 PolarHBondContact N-OD1 3.48Å
201	N	97.5	Very high	95.3	Very high	30 Å²	30	39.9 Å²	39.9	16%	0.16	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	12.7	-176.8	-156.4	49.5	0	0	0	115.6	V199 A226 T230 L231	V199-N201 VanDerWaalsContact C-N 3.26Å; V199-N201 PolarHBondContact O-N 2.68Å; N201-A226 PolarHBondContact ND2-O 3.4Å; N201-T230 HydrophobicContact CB-CG2 4.43Å; N201-L231 PolarHBondContact OD1-N 3.22Å
202	H	98.2	Very high	95.9	Very high	108 Å²	108	40.1 Å²	40.1	50%	0.5	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133	175.3	-64.8	79.5	0	0	0	110.7	I198 V199 N200 H204 L484	I198-H202 WeakPolarHBondContact CA-O 3.44Å; V199-H202 PolarHBondContact N-O 2.92Å; V199-H202 WeakPolarHBondContact O-CB 3.39Å; V199-H202 PolarHBondContact O-N 2.78Å; N200-H202 PolarHBondContact O-CE1 3.24Å; N200-H202 PolarHBondContact O-N 2.98Å; N200-H202 VanDerWaalsContact O-N 3.14Å; N200-H202 PolarHBondContact O-ND1 3.24Å; H202-H204 PolarHBondContact O-ND1 2.86Å; H202-L484 HydrophobicContact CB-CD1 4.22Å
203	I	98.8	Very high	95.8	Very high	4 Å²	4	45 Å²	45	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.9	-175.9	-61.7	147.9	0	0	0	109	Y196 I198 L222 L223 A226 V485	Y196-I203 HydrophobicContact CD1-CG2 3.82Å; Y196-I203 HydrophobicContact CE1-CG2 4.18Å; I198-I203 HydrophobicContact CD1-CG1 4.19Å; I198-I203 HydrophobicContact CG1-CG1 4.08Å; I203-L222 VanDerWaalsContact CD1-C 3.45Å; I203-L222 HydrophobicContact CD1-CB 3.66Å; I203-L222 HydrophobicContact CG1-CB 4.39Å; I203-L222 HydrophobicContact CG2-CD1 4.44Å; I203-L223 HydrophobicContact CD1-CD2 3.92Å; I203-L223 HydrophobicContact CD1-CG 4.26Å; I203-A226 HydrophobicContact CD1-CB 4.12Å; I203-V485 HydrophobicContact CB-CB 4.28Å; I203-V485 HydrophobicContact CG2-CB 4.1Å; I203-V485 HydrophobicContact CG2-CG2 3.87Å; I203-V485 PolarHBondContact O-N 3.44Å
204	H	98.8	Very high	95.7	Very high	28 Å²	28	49.1 Å²	49.1	13%	0.13	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.5	172.9	-58	73.9	0	0	0	108.8	Y196 T197 H202 I478 M482 E483	Y196-H204 CarbonylContact C-O 3.47Å; Y196-H204 WeakPolarHBondContact CA-O 3.5Å; T197-H204 PolarHBondContact N-O 3.21Å; T197-H204 PolarHBondContact O-N 2.78Å; H202-H204 PolarHBondContact O-ND1 2.86Å; H204-I478 HydrophobicContact CB-CG2 4.43Å; H204-M482 HydrophobicContact CB-CB 4.21Å; H204-M482 HydrophobicContact CB-SD 4.23Å; H204-E483 CarbonylContact C-O 3.53Å; H204-E483 WeakPolarHBondContact CA-O 3.4Å
205	R	98.3	Very high	95.6	Very high	27 Å²	27	50.9 Å²	50.9	10%	0.102	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	160.3	-179.8	70.6	176.1	-175.7	179.3	-11.3	113.8	V194 H195 Y196 D219 M482 E483 V485	V194-R205 HydrophobicContact CG1-CB 3.97Å; H195-R205 CarbonylContact O-C 3.55Å; H195-R205 WeakPolarHBondContact O-CA 3.5Å; Y196-R205 HydrophobicContact CD1-CB 3.63Å; Y196-R205 HydrophobicContact CE1-CB 3.69Å; Y196-R205 HydrophobicContact CE1-CG 4.42Å; Y196-R205 HydrophobicContact CG-CB 4.28Å; R205-D219 IonicContact CZ-OD1 2.52Å; R205-D219 IonicContact CZ-OD2 3.3Å; R205-D219 IonicContact NE-OD1 3.24Å; R205-D219 IonicContact NH1-OD1 3.43Å; R205-D219 PolarHBondContact NH1-OD1 3.18Å; R205-D219 IonicContact NH1-OD2 2.74Å; R205-D219 PolarHBondContact NH1-OD2 3Å; R205-D219 IonicContact NH2-OD2 2.82Å; R205-D219 PolarHBondContact NH2-OD2 3.3Å; R205-M482 CarbonylContact O-C 3.5Å; R205-M482 WeakPolarHBondContact O-CA 3.19Å; R205-E483 HydrophobicContact CG-CG 3.93Å; R205-E483 IonicContact CZ-OE1 3Å; R205-E483 PolarHBondContact N-O 3.13Å; R205-E483 IonicContact NE-OE1 3.88Å; R205-E483 PolarHBondContact NE-OE1 2.9Å; R205-E483 IonicContact NH2-OE1 2.89Å; R205-E483 PolarHBondContact NH2-OE1 3.24Å; R205-E483 PolarHBondContact O-N 2.62Å; R205-V485 HydrophobicContact CB-CG2 4.15Å; R205-V485 HydrophobicContact CG-CG2 3.58Å
206	R	97.1	Very high	95.5	Very high	72 Å²	72	55 Å²	55	27%	0.272	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	124	167.2	-175.7	176.9	70	-176.7	6.9	109.4	H195 L208 D480 G481 M482	H195-R206 PolarHBondContact N-O 2.86Å; H195-R206 PolarHBondContact O-N 2.97Å; R206-L208 HydrophobicContact CG-CD2 4.47Å; R206-D480 PolarHBondContact NH1-O 3.16Å; R206-G481 WeakPolarHBondContact CG-O 3.3Å; R206-M482 HydrophobicContact CB-CG 3.95Å
207	S	95.9	Very high	95.4	Very high	44 Å²	44	56.1 Å²	56.1	31%	0.308	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	138.7	176.6	-64	0	0	0	0	110.9	K215	S207-K215 WeakPolarHBondContact OG-CD 3.33Å
208	L	93.9	Very high	95.4	Very high	18 Å²	18	56.1 Å²	56.1	9%	0.094	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.4	-179.8	-58.3	177.7	0	0	0	109.6	P183 G191 V193 H195 R206 Y237	P183-L208 HydrophobicContact CB-CD1 4.35Å; P183-L208 HydrophobicContact CG-CD1 4.07Å; G191-L208 CarbonylContact C-O 3.59Å; V193-L208 HydrophobicContact CB-CB 4.42Å; V193-L208 PolarHBondContact N-O 3.02Å; V193-L208 VanDerWaalsContact N-O 3.12Å; V193-L208 CarbonylContact O-C 3.48Å; V193-L208 WeakPolarHBondContact O-CA 3.42Å; V193-L208 WeakPolarHBondContact O-CB 3.19Å; V193-L208 PolarHBondContact O-N 3.41Å; H195-L208 HydrophobicContact CB-CD1 4.32Å; R206-L208 HydrophobicContact CG-CD2 4.47Å; L208-Y237 HydrophobicContact CD1-CD1 4.12Å; L208-Y237 HydrophobicContact CD1-CE1 3.65Å
209	G	89.8	Confident	95.3	Very high	34 Å²	34	56.9 Å²	56.9	35%	0.351	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	99.1	-171.9	-179.3	0	0	0	0	0	114.2	G187 G191	G187-G209 WeakPolarHBondContact O-CA 3.23Å; G187-G209 PolarHBondContact O-N 3.36Å; G191-G209 CarbonylContact O-C 3.37Å; G191-G209 VanDerWaalsContact O-CA 3.3Å; G191-G209 WeakPolarHBondContact O-CA 3.46Å
210	K	87.4	Confident	95.2	Very high	148 Å²	148	58.2 Å²	58.2	64%	0.643	28%	0.283	S	S	*	.	S	Bend	trans	-92.1	-27.6	-165.3	-65.7	-178.1	-178.9	175.3	0	114.2	G191	G191-K210 PolarHBondContact O-N 2.84Å
211	Y	88.3	Confident	95.3	Very high	156 Å²	156	52.7 Å²	52.7	61%	0.612	25%	0.254	S	S	*	.			trans	-111.5	62.6	-169.8	-59	-71	0	0	0	111.2	G191 A192	G191-Y211 PolarHBondContact O-N 2.83Å; A192-Y211 VanDerWaalsContact CB-O 3.27Å; A192-Y211 WeakPolarHBondContact CB-O 3.44Å
212	T	92	Very high	95.4	Very high	13 Å²	13	51.5 Å²	51.5	8%	0.08	25%	0.247	C	C	.	.			trans	-106.9	7.3	-172	59.4	0	0	0	0	113.9	V194 F214 K215	V194-T212 HydrophobicContact CG2-CG2 4.47Å; T212-F214 PolarHBondContact O-N 2.79Å; T212-K215 WeakPolarHBondContact O-CB 3.32Å; T212-K215 WeakPolarHBondContact O-CD 3.49Å; T212-K215 WeakPolarHBondContact O-CG 3.48Å; T212-K215 PolarHBondContact O-N 2.95Å; T212-K215 PolarHBondContact O-NZ 2.96Å
213	D	92.8	Very high	95.4	Very high	118 Å²	118	47.1 Å²	47.1	63%	0.631	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-26.3	-175.9	-67.9	-25.6	0	0	0	113.9	K215 M216	D213-K215 PolarHBondContact O-N 3.14Å; D213-K215 IonicContact OD1-NZ 2.86Å; D213-K215 PolarHBondContact OD1-NZ 3.28Å; D213-M216 WeakPolarHBondContact O-CG 3.27Å; D213-M216 PolarHBondContact O-N 2.96Å
214	F	93.4	Very high	95.3	Very high	89 Å²	89	46.9 Å²	46.9	39%	0.39	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-6.9	174.8	-84.1	-123.4	0	0	0	113.4	T212 M216 F217 L240 Y276	T212-F214 PolarHBondContact O-N 2.79Å; F214-M216 PolarHBondContact O-N 2.67Å; F214-M216 VanDerWaalsContact O-N 3.11Å; F214-F217 HydrophobicContact CB-CD2 4.19Å; F214-F217 HydrophobicContact CB-CE2 4.49Å; F214-F217 AromaticContact CD1-CD2 3.86Å; F214-F217 HydrophobicContact CD1-CD2 3.86Å; F214-F217 AromaticContact CD1-CE2 3.64Å; F214-F217 HydrophobicContact CD1-CE2 3.64Å; F214-F217 AromaticContact CE1-CE2 3.94Å; F214-F217 HydrophobicContact CE1-CE2 3.94Å; F214-F217 HydrophobicContact CG-CD2 4.19Å; F214-F217 HydrophobicContact CG-CE2 4.03Å; F214-F217 WeakPolarHBondContact O-CD2 3.25Å; F214-F217 PolarHBondContact O-N 3.33Å; F214-L240 HydrophobicContact CB-CB 4.09Å; F214-L240 HydrophobicContact CB-CD1 4.37Å; F214-Y276 HydrophobicContact CD1-CD1 4Å; F214-Y276 HydrophobicContact CD1-CD2 4.48Å; F214-Y276 HydrophobicContact CD1-CE1 4.01Å; F214-Y276 HydrophobicContact CD1-CG 4.27Å; F214-Y276 HydrophobicContact CE1-CD1 4.18Å; F214-Y276 HydrophobicContact CE1-CD2 4.29Å; F214-Y276 AromaticContact CE1-CE1 3.75Å; F214-Y276 HydrophobicContact CE1-CE1 3.75Å; F214-Y276 AromaticContact CE1-CE2 3.95Å; F214-Y276 HydrophobicContact CE1-CE2 3.95Å; F214-Y276 HydrophobicContact CE1-CG 4.45Å; F214-Y276 AromaticContact CE1-CZ 3.68Å
215	K	95.9	Very high	95.3	Very high	37 Å²	37	45.6 Å²	45.6	16%	0.161	22%	0.22	C	C	.	.	H	α-helix	trans	-54.7	-25.7	171	68	-167.1	174.8	-77.2	0	113.2	V194 S207 T212 D213 F217 S218 D219 L240	V194-K215 HydrophobicContact CG2-CB 3.87Å; S207-K215 WeakPolarHBondContact OG-CD 3.33Å; T212-K215 WeakPolarHBondContact O-CB 3.32Å; T212-K215 WeakPolarHBondContact O-CD 3.49Å; T212-K215 WeakPolarHBondContact O-CG 3.48Å; T212-K215 PolarHBondContact O-N 2.95Å; T212-K215 PolarHBondContact O-NZ 2.96Å; D213-K215 PolarHBondContact O-N 3.14Å; D213-K215 IonicContact OD1-NZ 2.86Å; D213-K215 PolarHBondContact OD1-NZ 3.28Å; K215-F217 PolarHBondContact O-N 3.33Å; K215-S218 PolarHBondContact O-N 2.73Å; K215-S218 PolarHBondContact O-OG 2.96Å; K215-D219 PolarHBondContact O-N 3.05Å; K215-L240 HydrophobicContact CB-CD1 3.94Å
216	M	96.1	Very high	95.3	Very high	86 Å²	86	44.3 Å²	44.3	42%	0.424	22%	0.216	S	C	.	.	H	α-helix	trans	-53	-38.4	174.4	62.5	179.7	-82.3	0	0	112.2	D213 F214 E220	D213-M216 WeakPolarHBondContact O-CG 3.27Å; D213-M216 PolarHBondContact O-N 2.96Å; F214-M216 PolarHBondContact O-N 2.67Å; F214-M216 VanDerWaalsContact O-N 3.11Å; M216-E220 WeakPolarHBondContact O-CB 3.46Å; M216-E220 WeakPolarHBondContact O-CG 3.4Å; M216-E220 PolarHBondContact O-N 3.12Å
217	F	96.6	Very high	95.2	Very high	23 Å²	23	41.5 Å²	41.5	10%	0.101	21%	0.205	C	C	.	.	H	α-helix	trans	-71.8	-39.2	-178.7	-59.8	-64.1	0	0	0	112.5	F214 K215 I221 Y276 H280	F214-F217 HydrophobicContact CB-CD2 4.19Å; F214-F217 HydrophobicContact CB-CE2 4.49Å; F214-F217 AromaticContact CD1-CD2 3.86Å; F214-F217 HydrophobicContact CD1-CD2 3.86Å; F214-F217 AromaticContact CD1-CE2 3.64Å; F214-F217 HydrophobicContact CD1-CE2 3.64Å; F214-F217 AromaticContact CE1-CE2 3.94Å; F214-F217 HydrophobicContact CE1-CE2 3.94Å; F214-F217 HydrophobicContact CG-CD2 4.19Å; F214-F217 HydrophobicContact CG-CE2 4.03Å; F214-F217 WeakPolarHBondContact O-CD2 3.25Å; F214-F217 PolarHBondContact O-N 3.33Å; K215-F217 PolarHBondContact O-N 3.33Å; F217-I221 WeakPolarHBondContact O-CG2 3.4Å; F217-I221 PolarHBondContact O-N 3.43Å; F217-Y276 HydrophobicContact CD2-CD2 4.09Å; F217-Y276 HydrophobicContact CD2-CG 4.03Å; F217-Y276 AromaticContact CE2-CD2 3.92Å; F217-Y276 HydrophobicContact CE2-CD2 3.92Å; F217-Y276 HydrophobicContact CE2-CG 4.28Å; F217-Y276 HydrophobicContact CG-CG 4.47Å; F217-Y276 HydrophobicContact CZ-CD2 4.22Å; F217-H280 HydrophobicContact CD1-CB 3.88Å; F217-H280 AromaticContact CD1-ND1 3.86Å; F217-H280 HydrophobicContact CE1-CB 3.84Å; F217-H280 AromaticContact CE1-CG 3.66Å; F217-H280 AromaticContact CE1-ND1 3.57Å
218	S	97.7	Very high	95.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-71.4	-37.8	175	44	0	0	0	0	112	Y196 K215 I221 L222	Y196-S218 PolarHBondContact OH-OG 3.26Å; K215-S218 PolarHBondContact O-N 2.73Å; K215-S218 PolarHBondContact O-OG 2.96Å; S218-I221 WeakPolarHBondContact O-CG2 3.06Å; S218-L222 WeakPolarHBondContact O-CB 3.36Å; S218-L222 WeakPolarHBondContact O-CD1 3.07Å; S218-L222 WeakPolarHBondContact O-CG 3.15Å; S218-L222 PolarHBondContact O-N 3.2Å; S218-L222 VanDerWaalsContact O-N 3.11Å
219	D	98.1	Very high	95.5	Very high	16 Å²	16	38.6 Å²	38.6	9%	0.086	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-49.3	173.8	-59.9	-21	0	0	0	111.5	Y196 R205 K215 I221 L222 L223 V485	Y196-D219 WeakPolarHBondContact CE1-OD1 3.47Å; Y196-D219 PolarHBondContact OH-OD1 2.8Å; R205-D219 IonicContact CZ-OD1 2.52Å; R205-D219 IonicContact CZ-OD2 3.3Å; R205-D219 IonicContact NE-OD1 3.24Å; R205-D219 IonicContact NH1-OD1 3.43Å; R205-D219 PolarHBondContact NH1-OD1 3.18Å; R205-D219 IonicContact NH1-OD2 2.74Å; R205-D219 PolarHBondContact NH1-OD2 3Å; R205-D219 IonicContact NH2-OD2 2.82Å; R205-D219 PolarHBondContact NH2-OD2 3.3Å; K215-D219 PolarHBondContact O-N 3.05Å; D219-I221 VanDerWaalsContact C-N 3.32Å; D219-I221 PolarHBondContact O-N 3.48Å; D219-L222 PolarHBondContact O-N 3.27Å; D219-L223 WeakPolarHBondContact O-CB 3.46Å; D219-L223 VanDerWaalsContact O-CG 3.28Å; D219-L223 WeakPolarHBondContact O-CG 3.45Å; D219-L223 PolarHBondContact O-N 2.89Å; D219-V485 HydrophobicContact CB-CG1 4.08Å
220	E	96.5	Very high	95.8	Very high	54 Å²	54	39.2 Å²	39.2	25%	0.252	18%	0.183	S	C	.	.	H	α-helix	trans	-56.7	-46.1	-175	-82.3	178.1	177.7	0	0	111.4	M216 S224 H280 L283	M216-E220 WeakPolarHBondContact O-CB 3.46Å; M216-E220 WeakPolarHBondContact O-CG 3.4Å; M216-E220 PolarHBondContact O-N 3.12Å; E220-S224 WeakPolarHBondContact O-CB 3.31Å; E220-S224 PolarHBondContact O-N 3.05Å; E220-H280 IonicContact OE2-ND1 3.38Å; E220-L283 HydrophobicContact CB-CD1 3.73Å
221	I	98.3	Very high	96.4	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-73.5	-37.6	179.6	-170.3	58.2	0	0	0	113	F217 S218 D219 S224 L225 T279 L283 F458 Y461	F217-I221 WeakPolarHBondContact O-CG2 3.4Å; F217-I221 PolarHBondContact O-N 3.43Å; S218-I221 WeakPolarHBondContact O-CG2 3.06Å; D219-I221 VanDerWaalsContact C-N 3.32Å; D219-I221 PolarHBondContact O-N 3.48Å; I221-S224 PolarHBondContact O-N 2.58Å; I221-L225 HydrophobicContact CG1-CD1 4.28Å; I221-L225 WeakPolarHBondContact O-CG 3.28Å; I221-L225 PolarHBondContact O-N 3.34Å; I221-T279 HydrophobicContact CB-CG2 3.61Å; I221-T279 HydrophobicContact CD1-CG2 4.28Å; I221-T279 HydrophobicContact CG1-CG2 3.96Å; I221-T279 HydrophobicContact CG2-CG2 4.04Å; I221-L283 HydrophobicContact CB-CD1 4.23Å; I221-L283 HydrophobicContact CD1-CD1 4.42Å; I221-L283 HydrophobicContact CD1-CD2 4.2Å; I221-F458 HydrophobicContact CD1-CD1 3.92Å; I221-F458 HydrophobicContact CD1-CE1 3.52Å; I221-F458 HydrophobicContact CD1-CZ 4.21Å; I221-Y461 HydrophobicContact CB-CE1 4.28Å; I221-Y461 HydrophobicContact CD1-CD2 4.48Å; I221-Y461 HydrophobicContact CD1-CE2 4.49Å; I221-Y461 HydrophobicContact CG1-CD1 3.93Å; I221-Y461 HydrophobicContact CG1-CD2 3.95Å; I221-Y461 HydrophobicContact CG1-CE1 3.78Å; I221-Y461 HydrophobicContact CG1-CE2 3.83Å; I221-Y461 HydrophobicContact CG1-CG 4.02Å; I221-Y461 HydrophobicContact CG2-CD1 4.19Å; I221-Y461 HydrophobicContact CG2-CE1 3.5Å; I221-Y461 VanDerWaalsContact CG2-CE1 3.5Å
222	L	98.7	Very high	96.8	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-46.4	176.9	-70.5	173.6	0	0	0	111	Y196 I198 I203 S218 D219 S224 L225 A226 F236 L465	Y196-L222 HydrophobicContact CD1-CD1 3.81Å; Y196-L222 HydrophobicContact CE1-CD1 3.82Å; Y196-L222 HydrophobicContact CG-CD1 4.22Å; I198-L222 HydrophobicContact CD1-CD2 4.21Å; I203-L222 VanDerWaalsContact CD1-C 3.45Å; I203-L222 HydrophobicContact CD1-CB 3.66Å; I203-L222 HydrophobicContact CG1-CB 4.39Å; I203-L222 HydrophobicContact CG2-CD1 4.44Å; S218-L222 WeakPolarHBondContact O-CB 3.36Å; S218-L222 WeakPolarHBondContact O-CD1 3.07Å; S218-L222 WeakPolarHBondContact O-CG 3.15Å; S218-L222 PolarHBondContact O-N 3.2Å; S218-L222 VanDerWaalsContact O-N 3.11Å; D219-L222 PolarHBondContact O-N 3.27Å; L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.37Å; L222-L225 PolarHBondContact O-N 3.36Å; L222-A226 WeakPolarHBondContact O-CB 3.27Å; L222-A226 PolarHBondContact O-N 3.19Å; L222-F236 HydrophobicContact CD1-CZ 4.16Å; L222-F236 HydrophobicContact CD2-CZ 4.34Å; L222-L465 HydrophobicContact CD2-CD1 4.02Å; L222-L465 HydrophobicContact CD2-CD2 4.38Å
223	L	98.1	Very high	97.1	Very high	16 Å²	16	29 Å²	29	8%	0.084	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-41.1	174.3	-69.3	171.2	0	0	0	111.3	I203 D219 L225 A226 R227 V485 P486 Q487	I203-L223 HydrophobicContact CD1-CD2 3.92Å; I203-L223 HydrophobicContact CD1-CG 4.26Å; D219-L223 WeakPolarHBondContact O-CB 3.46Å; D219-L223 VanDerWaalsContact O-CG 3.28Å; D219-L223 WeakPolarHBondContact O-CG 3.45Å; D219-L223 PolarHBondContact O-N 2.89Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.34Å; L223-A226 PolarHBondContact O-N 2.95Å; L223-R227 WeakPolarHBondContact O-CG 3.28Å; L223-R227 PolarHBondContact O-N 3.31Å; L223-R227 VanDerWaalsContact O-N 3.12Å; L223-R227 PolarHBondContact O-NH1 2.86Å; L223-V485 HydrophobicContact CD1-CG1 3.89Å; L223-V485 HydrophobicContact CD2-CG1 4.15Å; L223-V485 HydrophobicContact CG-CG1 4.14Å; L223-P486 WeakPolarHBondContact CD1-O 3.31Å; L223-Q487 HydrophobicContact CD2-CG 4.46Å; L223-Q487 PolarHBondContact O-NE2 3.46Å
224	S	97.9	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.9	-39.6	176.4	-175.1	0	0	0	0	112.6	E138 E220 I221 L222 K228 L283 F458	E138-S224 WeakPolarHBondContact OE1-CB 3.32Å; E138-S224 PolarHBondContact OE1-OG 3.12Å; E220-S224 WeakPolarHBondContact O-CB 3.31Å; E220-S224 PolarHBondContact O-N 3.05Å; I221-S224 PolarHBondContact O-N 2.58Å; L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.37Å; S224-K228 WeakPolarHBondContact O-CD 3.28Å; S224-K228 VanDerWaalsContact O-CG 3.3Å; S224-K228 WeakPolarHBondContact O-CG 3.26Å; S224-K228 PolarHBondContact O-NZ 3.22Å; S224-K228 PolarHBondContact OG-NZ 3.11Å; S224-L283 WeakPolarHBondContact OG-CD2 3.19Å; S224-F458 WeakPolarHBondContact OG-CE1 3.41Å
225	L	98.5	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.9	-46.2	173.2	-76.9	159.3	0	0	0	112	W150 I221 L222 L223 R227 K228 V229 L231 F458 Y461 L465	W150-L225 HydrophobicContact CH2-CD2 3.94Å; W150-L225 HydrophobicContact CZ2-CD2 4.18Å; I221-L225 HydrophobicContact CG1-CD1 4.28Å; I221-L225 WeakPolarHBondContact O-CG 3.28Å; I221-L225 PolarHBondContact O-N 3.34Å; L222-L225 PolarHBondContact O-N 3.36Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.34Å; L225-R227 PolarHBondContact O-N 3.38Å; L225-R227 VanDerWaalsContact O-N 3.16Å; L225-K228 WeakPolarHBondContact O-CA 3.49Å; L225-K228 PolarHBondContact O-N 2.88Å; L225-V229 HydrophobicContact CD2-CG1 4.49Å; L225-V229 PolarHBondContact O-N 2.78Å; L225-V229 VanDerWaalsContact O-O 3.12Å; L225-L231 HydrophobicContact CB-CD1 4.43Å; L225-L231 HydrophobicContact CB-CD2 3.88Å; L225-F458 HydrophobicContact CD2-CB 4.3Å; L225-F458 HydrophobicContact CD2-CD1 3.67Å; L225-F458 HydrophobicContact CD2-CG 4.48Å; L225-F458 HydrophobicContact CG-CD1 4.01Å; L225-Y461 HydrophobicContact CD1-CD1 4.38Å; L225-Y461 HydrophobicContact CD1-CG 4.24Å; L225-L465 HydrophobicContact CD1-CD1 4.39Å
226	A	97.9	Very high	97.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-59.4	-27.5	-178.7	0	0	0	0	0	113.3	P143 N201 I203 L222 L223 L231	P143-A226 WeakPolarHBondContact CB-O 3.39Å; N201-A226 PolarHBondContact ND2-O 3.4Å; I203-A226 HydrophobicContact CD1-CB 4.12Å; L222-A226 WeakPolarHBondContact O-CB 3.27Å; L222-A226 PolarHBondContact O-N 3.19Å; L223-A226 PolarHBondContact O-N 2.95Å; A226-L231 HydrophobicContact CB-CD1 3.87Å; A226-L231 HydrophobicContact CB-CG 4.35Å
227	R	96.6	Very high	97.9	Very high	12 Å²	12	13.5 Å²	13.5	5%	0.045	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.3	172.2	-71.9	-169.2	-59.7	-88	3.6	114.2	E138 D141 C142 P143 L223 L225	E138-R227 PolarHBondContact O-NE 3Å; E138-R227 IonicContact OE1-CZ 3.18Å; E138-R227 IonicContact OE1-NH2 3.91Å; E138-R227 PolarHBondContact OE1-NH2 2.97Å; D141-R227 HydrophobicContact CB-CG 4.25Å; C142-R227 CarbonylContact C-O 3.59Å; C142-R227 PolarHBondContact N-O 3.36Å; P143-R227 WeakPolarHBondContact CA-O 3.28Å; P143-R227 VanDerWaalsContact N-O 3.15Å; L223-R227 WeakPolarHBondContact O-CG 3.28Å; L223-R227 PolarHBondContact O-N 3.31Å; L223-R227 VanDerWaalsContact O-N 3.12Å; L223-R227 PolarHBondContact O-NH1 2.86Å; L225-R227 PolarHBondContact O-N 3.38Å; L225-R227 VanDerWaalsContact O-N 3.16Å
228	K	96.6	Very high	97.9	Very high	1 Å²	1	12.6 Å²	12.6	0%	0.004	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-34.9	-170.5	-69.9	176.4	-176	63.2	0	113.3	V43 E138 E144 S224 L225 F458 R499	V43-K228 HydrophobicContact CB-CG 4.17Å; V43-K228 HydrophobicContact CG1-CG 4.09Å; V43-K228 WeakPolarHBondContact O-CD 3.41Å; V43-K228 WeakPolarHBondContact O-CE 3.37Å; E138-K228 IonicContact OE1-NZ 3.12Å; E138-K228 PolarHBondContact OE1-NZ 3.2Å; E138-K228 VanDerWaalsContact OE2-CE 3.23Å; E138-K228 WeakPolarHBondContact OE2-CE 3.43Å; E138-K228 IonicContact OE2-NZ 2.74Å; E138-K228 PolarHBondContact OE2-NZ 3.17Å; E144-K228 WeakPolarHBondContact CB-O 3.19Å; E144-K228 PolarHBondContact N-O 2.92Å; S224-K228 WeakPolarHBondContact O-CD 3.28Å; S224-K228 VanDerWaalsContact O-CG 3.3Å; S224-K228 WeakPolarHBondContact O-CG 3.26Å; S224-K228 PolarHBondContact O-NZ 3.22Å; S224-K228 PolarHBondContact OG-NZ 3.11Å; L225-K228 WeakPolarHBondContact O-CA 3.49Å; L225-K228 PolarHBondContact O-N 2.88Å; K228-F458 HydrophobicContact CD-CD1 4.37Å; K228-F458 HydrophobicContact CD-CE1 4.14Å; K228-F458 HydrophobicContact CD-CZ 4.44Å; K228-R499 PolarHBondContact O-NH1 3.32Å
229	V	97.6	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-150.6	144.6	-176.5	61.6	0	0	0	0	109.4	E144 P147 W150 L225 L231 Y462	E144-V229 WeakPolarHBondContact O-CA 3.38Å; P147-V229 HydrophobicContact CB-CG2 4.39Å; W150-V229 HydrophobicContact CB-CB 4.21Å; W150-V229 HydrophobicContact CB-CG2 3.87Å; W150-V229 HydrophobicContact CD2-CB 3.65Å; W150-V229 HydrophobicContact CD2-CG1 3.89Å; W150-V229 HydrophobicContact CD2-CG2 3.93Å; W150-V229 HydrophobicContact CE3-CB 4.12Å; W150-V229 HydrophobicContact CE3-CG1 4.03Å; W150-V229 HydrophobicContact CE3-CG2 4.08Å; W150-V229 HydrophobicContact CG-CB 3.67Å; W150-V229 HydrophobicContact CG-CG1 4.44Å; W150-V229 HydrophobicContact CG-CG2 3.85Å; W150-V229 HydrophobicContact CH2-CG1 4.12Å; W150-V229 HydrophobicContact CZ2-CG1 3.97Å; W150-V229 HydrophobicContact CZ3-CG1 4.16Å; L225-V229 HydrophobicContact CD2-CG1 4.49Å; L225-V229 PolarHBondContact O-N 2.78Å; L225-V229 VanDerWaalsContact O-O 3.12Å; V229-L231 HydrophobicContact CG1-CD2 4.47Å; V229-L231 PolarHBondContact O-N 2.53Å; V229-Y462 HydrophobicContact CB-CE2 4.41Å; V229-Y462 HydrophobicContact CG1-CD2 3.64Å; V229-Y462 HydrophobicContact CG1-CE2 3.59Å; V229-Y462 HydrophobicContact CG1-CG 4.42Å; V229-Y462 HydrophobicContact CG2-CE1 4.48Å; V229-Y462 HydrophobicContact CG2-CE2 3.91Å
230	T	97.6	Very high	97.8	Very high	47 Å²	47	12.4 Å²	12.4	29%	0.288	7%	0.067	S	C	.	.	P	Polyproline II helix	trans	-64.4	120.3	173.7	-59	0	0	0	0	109.9	E144 N201 Y462	E144-T230 PolarHBondContact O-N 3.32Å; E144-T230 PolarHBondContact O-OG1 3.02Å; N201-T230 HydrophobicContact CB-CG2 4.43Å; T230-Y462 PolarHBondContact O-OH 2.74Å
231	L	98.5	Very high	97.7	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.021	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-78	143.4	177.2	-64.4	-176.9	0	0	0	110.8	I198 N201 L225 A226 V229 Y462 L465	I198-L231 HydrophobicContact CD1-CD1 3.76Å; I198-L231 HydrophobicContact CG2-CB 3.93Å; I198-L231 HydrophobicContact CG2-CD1 4.32Å; N201-L231 PolarHBondContact OD1-N 3.22Å; L225-L231 HydrophobicContact CB-CD1 4.43Å; L225-L231 HydrophobicContact CB-CD2 3.88Å; A226-L231 HydrophobicContact CB-CD1 3.87Å; A226-L231 HydrophobicContact CB-CG 4.35Å; V229-L231 HydrophobicContact CG1-CD2 4.47Å; V229-L231 PolarHBondContact O-N 2.53Å; L231-Y462 HydrophobicContact CD2-CD2 3.81Å; L231-Y462 HydrophobicContact CD2-CE2 3.81Å; L231-L465 HydrophobicContact CD2-CD1 3.93Å
232	P	98.2	Very high	97.4	Very high	30 Å²	30	13.5 Å²	13.5	20%	0.195	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-65.7	154.7	171.6	27.5	-31.2	0	0	0	110.6	L234 L465 Q466 A469	P232-L234 HydrophobicContact CG-CD2 4.17Å; P232-L234 WeakPolarHBondContact O-CD2 3.29Å; P232-L234 PolarHBondContact O-N 2.75Å; P232-L465 HydrophobicContact CG-CB 4.31Å; P232-Q466 HydrophobicContact CG-CG 4.45Å; P232-A469 HydrophobicContact CB-CB 3.7Å; P232-A469 HydrophobicContact CG-CB 3.96Å
233	D	98.6	Very high	97.3	Very high	68 Å²	68	19.3 Å²	19.3	36%	0.364	10%	0.101	S	C	.	.	P	Polyproline II helix	trans	-72	121.8	171.3	-76.5	4.8	0	0	0	109.3	I198 V199 N200 P476	I198-D233 CarbonylContact O-C 3.41Å; I198-D233 VanDerWaalsContact O-CA 3.22Å; I198-D233 WeakPolarHBondContact O-CA 3.2Å; V199-D233 WeakPolarHBondContact CA-OD1 3.48Å; N200-D233 PolarHBondContact N-OD1 3.48Å; D233-P476 HydrophobicContact CB-CG 3.76Å
234	L	98.1	Very high	97.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	162.2	176.9	73	162.5	0	0	0	114.3	T197 I198 P232 F236 L465 Y468 A469 Q472 P476	T197-L234 CarbonylContact C-O 3.49Å; T197-L234 WeakPolarHBondContact CA-O 3.38Å; I198-L234 HydrophobicContact CB-CD2 4.02Å; I198-L234 HydrophobicContact CD1-CD2 3.92Å; I198-L234 HydrophobicContact CG1-CD2 4.18Å; I198-L234 PolarHBondContact N-O 2.9Å; I198-L234 PolarHBondContact O-N 2.84Å; P232-L234 HydrophobicContact CG-CD2 4.17Å; P232-L234 WeakPolarHBondContact O-CD2 3.29Å; P232-L234 PolarHBondContact O-N 2.75Å; L234-F236 HydrophobicContact CD1-CD1 3.52Å; L234-F236 HydrophobicContact CD1-CE1 3.84Å; L234-F236 HydrophobicContact CD1-CG 4.36Å; L234-F236 HydrophobicContact CD2-CE1 4.28Å; L234-F236 HydrophobicContact CG-CD1 3.6Å; L234-F236 HydrophobicContact CG-CE1 3.78Å; L234-L465 HydrophobicContact CD1-CB 4.23Å; L234-L465 HydrophobicContact CD1-CD2 3.89Å; L234-L465 HydrophobicContact CD2-CB 4.46Å; L234-Y468 HydrophobicContact CD1-CD1 4.01Å; L234-Y468 HydrophobicContact CD1-CG 4.14Å; L234-A469 HydrophobicContact CB-CB 3.99Å; L234-Q472 VanDerWaalsContact CA-OE1 3.25Å; L234-Q472 VanDerWaalsContact CB-OE1 3.27Å; L234-P476 VanDerWaalsContact C-CB 3.5Å
235	E	98	Very high	97.1	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.014	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.7	178	-179.8	173.5	-173.5	0	0	109.3	L175 H195 Y196 Y468 P476 M477 R479	L175-E235 HydrophobicContact CD1-CB 4.1Å; L175-E235 HydrophobicContact CD2-CB 4.27Å; L175-E235 WeakPolarHBondContact CD2-O 3.44Å; H195-E235 IonicContact CE1-OE1 2.88Å; H195-E235 PolarHBondContact CE1-OE1 3.05Å; H195-E235 WeakPolarHBondContact NE2-CG 3.48Å; H195-E235 IonicContact NE2-OE1 2.64Å; H195-E235 PolarHBondContact NE2-OE1 3.26Å; H195-E235 VanDerWaalsContact NE2-OE1 3.08Å; Y196-E235 WeakPolarHBondContact O-CA 3.37Å; E235-Y468 VanDerWaalsContact O-CE1 3.23Å; E235-Y468 WeakPolarHBondContact O-CE1 3.23Å; E235-P476 HydrophobicContact CB-CB 3.68Å; E235-M477 PolarHBondContact OE2-N 2.88Å; E235-R479 WeakPolarHBondContact OE1-CG 3.45Å; E235-R479 IonicContact OE1-CZ 3.72Å; E235-R479 IonicContact OE1-NE 3.8Å; E235-R479 PolarHBondContact OE1-NE 3.48Å; E235-R479 IonicContact OE1-NH2 3.11Å; E235-R479 PolarHBondContact OE1-NH2 2.66Å; E235-R479 IonicContact OE2-CZ 2.65Å; E235-R479 IonicContact OE2-NE 3.45Å; E235-R479 PolarHBondContact OE2-NE 3.3Å; E235-R479 IonicContact OE2-NH2 2.66Å; E235-R479 PolarHBondContact OE2-NH2 3.34Å
236	F	98.6	Very high	97	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	167.2	-170.2	63	-83.6	0	0	0	112.3	H195 Y196 I198 L222 L234 I238 I260 L465 Y468	H195-F236 PolarHBondContact CD2-O 3.49Å; Y196-F236 HydrophobicContact CD2-CE2 4.12Å; Y196-F236 HydrophobicContact CG-CE2 4.2Å; Y196-F236 HydrophobicContact CG-CZ 4.17Å; Y196-F236 PolarHBondContact N-O 3.24Å; Y196-F236 PolarHBondContact O-N 3.48Å; I198-F236 HydrophobicContact CD1-CE1 4.07Å; I198-F236 HydrophobicContact CD1-CZ 4.4Å; I198-F236 HydrophobicContact CG1-CE1 4.15Å; L222-F236 HydrophobicContact CD1-CZ 4.16Å; L222-F236 HydrophobicContact CD2-CZ 4.34Å; L234-F236 HydrophobicContact CD1-CD1 3.52Å; L234-F236 HydrophobicContact CD1-CE1 3.84Å; L234-F236 HydrophobicContact CD1-CG 4.36Å; L234-F236 HydrophobicContact CD2-CE1 4.28Å; L234-F236 HydrophobicContact CG-CD1 3.6Å; L234-F236 HydrophobicContact CG-CE1 3.78Å; F236-I238 HydrophobicContact CD2-CG1 3.93Å; F236-I238 HydrophobicContact CE2-CD1 3.78Å; F236-I238 HydrophobicContact CE2-CG1 3.68Å; F236-I260 HydrophobicContact CD2-CD1 3.62Å; F236-I260 HydrophobicContact CE2-CD1 4.14Å; F236-I260 HydrophobicContact CG-CD1 4.25Å; F236-L465 HydrophobicContact CE1-CD2 4.15Å; F236-L465 HydrophobicContact CZ-CD2 4.05Å; F236-Y468 HydrophobicContact CB-CD1 4.28Å; F236-Y468 HydrophobicContact CB-CD2 4.44Å; F236-Y468 HydrophobicContact CB-CE1 3.74Å; F236-Y468 HydrophobicContact CB-CE2 3.89Å
237	Y	98.4	Very high	97	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.7	179.6	-66.3	-105.3	0	0	0	110.5	M178 L179 V182 V193 V194 H195 L208 I260	M178-Y237 HydrophobicContact CB-CE2 4Å; M178-Y237 HydrophobicContact CE-CD2 3.5Å; M178-Y237 VanDerWaalsContact CE-CD2 3.5Å; M178-Y237 HydrophobicContact CE-CE2 4.05Å; M178-Y237 HydrophobicContact CE-CG 4.46Å; L179-Y237 WeakPolarHBondContact CA-OH 3.45Å; V182-Y237 HydrophobicContact CB-CD1 3.95Å; V182-Y237 HydrophobicContact CB-CD2 4.47Å; V182-Y237 HydrophobicContact CB-CE1 3.76Å; V182-Y237 HydrophobicContact CB-CE2 4.34Å; V182-Y237 HydrophobicContact CB-CG 4.27Å; V182-Y237 HydrophobicContact CG1-CD1 3.29Å; V182-Y237 HydrophobicContact CG1-CD2 4.44Å; V182-Y237 HydrophobicContact CG1-CE1 3.53Å; V182-Y237 HydrophobicContact CG1-CG 3.76Å; V182-Y237 HydrophobicContact CG2-CD1 4.41Å; V182-Y237 HydrophobicContact CG2-CD2 4.15Å; V182-Y237 HydrophobicContact CG2-CE1 4.43Å; V182-Y237 HydrophobicContact CG2-CE2 4.2Å; V182-Y237 HydrophobicContact CG2-CG 4.22Å; V193-Y237 HydrophobicContact CG1-CD1 3.79Å; V193-Y237 HydrophobicContact CG1-CG 4.39Å; V194-Y237 WeakPolarHBondContact O-CA 3.46Å; H195-Y237 HydrophobicContact CB-CD1 3.76Å; H195-Y237 HydrophobicContact CB-CE1 3.53Å; H195-Y237 AromaticContact CD2-CD2 3.84Å; H195-Y237 AromaticContact CD2-CE1 3.7Å; H195-Y237 AromaticContact CD2-CE2 3.49Å; H195-Y237 VanDerWaalsContact CD2-CE2 3.49Å; H195-Y237 WeakPolarHBondContact CD2-CE2 3.31Å; H195-Y237 AromaticContact CD2-CZ 3.43Å; H195-Y237 VanDerWaalsContact CD2-CZ 3.43Å; H195-Y237 AromaticContact CE1-CZ 3.88Å; H195-Y237 AromaticContact CG-CE1 3.5Å; H195-Y237 VanDerWaalsContact CG-CE1 3.5Å; H195-Y237 AromaticContact CG-CZ 3.56Å; H195-Y237 AromaticContact ND1-CZ 3.83Å; H195-Y237 AromaticContact NE2-CE2 3.61Å; H195-Y237 AromaticContact NE2-CZ 3.65Å; L208-Y237 HydrophobicContact CD1-CD1 4.12Å; L208-Y237 HydrophobicContact CD1-CE1 3.65Å; Y237-I260 WeakPolarHBondContact O-CB 3.23Å; Y237-I260 PolarHBondContact O-N 3.01Å
238	I	98.3	Very high	97	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.3	170.8	-59.8	-176.1	0	0	0	108.9	V193 V194 Y196 F236 L240 I260 W262	V193-I238 CarbonylContact C-O 3.53Å; V193-I238 WeakPolarHBondContact CA-O 3.21Å; V194-I238 PolarHBondContact N-O 3.05Å; V194-I238 PolarHBondContact O-N 3.18Å; Y196-I238 HydrophobicContact CD2-CB 4.48Å; Y196-I238 HydrophobicContact CD2-CD1 4.04Å; Y196-I238 HydrophobicContact CD2-CG1 4.08Å; Y196-I238 HydrophobicContact CE2-CB 4.33Å; Y196-I238 HydrophobicContact CE2-CD1 3.88Å; Y196-I238 HydrophobicContact CE2-CG1 4.21Å; F236-I238 HydrophobicContact CD2-CG1 3.93Å; F236-I238 HydrophobicContact CE2-CD1 3.78Å; F236-I238 HydrophobicContact CE2-CG1 3.68Å; I238-L240 HydrophobicContact CG2-CD2 3.93Å; I238-I260 CarbonylContact C-O 3.47Å; I238-I260 WeakPolarHBondContact CA-O 3.27Å; I238-I260 HydrophobicContact CG1-CB 4.11Å; I238-I260 HydrophobicContact CG1-CG2 4.12Å; I238-W262 HydrophobicContact CG2-CZ2 4.35Å
239	N	97.4	Very high	97	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.7	163.1	171.2	36.3	0	0	0	110.1	G241 W243 L245 I259 I260 S261 W262	N239-G241 PolarHBondContact OD1-N 3.1Å; N239-W243 PolarHBondContact ND2-O 3.12Å; N239-L245 HydrophobicContact CB-CD1 3.71Å; N239-L245 HydrophobicContact CB-CG 4.18Å; N239-I259 HydrophobicContact CB-CG2 3.88Å; N239-I260 PolarHBondContact N-O 3.46Å; N239-S261 VanDerWaalsContact CB-OG 3.31Å; N239-S261 WeakPolarHBondContact CB-OG 2.78Å; N239-S261 PolarHBondContact ND2-OG 2.95Å; N239-W262 PolarHBondContact O-NE1 3.1Å
240	L	95.9	Very high	96.7	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.042	18%	0.184	C	C	.	.			trans	-98.3	-8	178.4	-53.6	175.5	0	0	0	113	A192 V194 F214 K215 I238 W262	A192-L240 HydrophobicContact CB-CB 4.2Å; A192-L240 WeakPolarHBondContact O-CA 3.28Å; A192-L240 WeakPolarHBondContact O-CB 3.33Å; A192-L240 WeakPolarHBondContact O-CG 3.46Å; A192-L240 PolarHBondContact O-N 3.17Å; V194-L240 HydrophobicContact CG2-CD1 3.52Å; V194-L240 HydrophobicContact CG2-CG 4.18Å; F214-L240 HydrophobicContact CB-CB 4.09Å; F214-L240 HydrophobicContact CB-CD1 4.37Å; K215-L240 HydrophobicContact CB-CD1 3.94Å; I238-L240 HydrophobicContact CG2-CD2 3.93Å; L240-W262 HydrophobicContact CD2-CZ2 4.24Å
241	G	93.9	Very high	96.6	Very high	22 Å²	22	41.1 Å²	41.1	23%	0.227	21%	0.207	C	C	.	.	S	Bend	trans	-76.2	166.9	176.3	0	0	0	0	0	112.9	N239	N239-G241 PolarHBondContact OD1-N 3.1Å
242	D	92.8	Very high	96.4	Very high	56 Å²	56	44.1 Å²	44.1	30%	0.299	22%	0.223	S	C	.	.	S	Bend	trans	-67.8	-44.8	178.1	-74.5	-6.3	0	0	0	112	T376 V377	D242-T376 HydrophobicContact CB-CG2 3.76Å; D242-T376 VanDerWaalsContact OD2-CB 3.27Å; D242-T376 WeakPolarHBondContact OD2-CB 3.19Å; D242-T376 WeakPolarHBondContact OD2-CG2 2.95Å; D242-T376 PolarHBondContact OD2-OG1 3.29Å; D242-T376 VanDerWaalsContact OD2-OG1 3.05Å; D242-V377 HydrophobicContact CB-CG1 4.37Å; D242-V377 HydrophobicContact CB-CG2 4.22Å; D242-V377 VanDerWaalsContact O-CG1 3.28Å; D242-V377 WeakPolarHBondContact O-CG1 3.12Å
243	W	95.2	Very high	96.1	Very high	127 Å²	127	49.4 Å²	49.4	48%	0.481	26%	0.255	S	S	.	.	S	Bend	trans	-80	136.9	-173.3	-57.5	104.5	0	0	0	111.8	N239 T376 V377 Y399	N239-W243 PolarHBondContact ND2-O 3.12Å; W243-T376 HydrophobicContact CD2-CG2 4.08Å; W243-T376 HydrophobicContact CH2-CG2 3.97Å; W243-T376 WeakPolarHBondContact CH2-O 3.5Å; W243-T376 HydrophobicContact CZ2-CG2 3.35Å; W243-T376 WeakPolarHBondContact CZ3-O 3.4Å; W243-V377 HydrophobicContact CD2-CG1 4.1Å; W243-V377 HydrophobicContact CE3-CG1 3.51Å; W243-V377 HydrophobicContact CZ3-CG1 3.84Å; W243-Y399 HydrophobicContact CE3-CE1 4.17Å; W243-Y399 HydrophobicContact CZ3-CE1 4.11Å; W243-Y399 HydrophobicContact CZ3-CE2 4.08Å; W243-Y399 AromaticContact CZ3-CZ 3.51Å; W243-Y399 WeakPolarHBondContact CZ3-OH 3.37Å
244	P	96.5	Very high	95.8	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.039	26%	0.259	C	S	.	.			trans	-61.9	157.2	165.8	27.2	-32.7	0	0	0	110.9	S268 D270	P244-S268 WeakPolarHBondContact CB-OG 3.48Å; P244-D270 HydrophobicContact CB-CB 4.31Å
245	L	96.2	Very high	95.7	Very high	40 Å²	40	50.5 Å²	50.5	21%	0.209	27%	0.27	C	S	.	.			trans	-115.6	-35.4	-166.5	-62.1	-174.3	0	0	0	115.2	F186 V193 N239 H247 I259 D270	F186-L245 HydrophobicContact CB-CD1 4Å; F186-L245 HydrophobicContact CD1-CB 4.06Å; F186-L245 HydrophobicContact CD1-CD1 4.03Å; F186-L245 HydrophobicContact CD1-CD2 4.46Å; F186-L245 HydrophobicContact CD1-CG 4.42Å; F186-L245 HydrophobicContact CD2-CD1 4.36Å; F186-L245 HydrophobicContact CE1-CB 3.81Å; F186-L245 HydrophobicContact CE2-CB 4.39Å; F186-L245 HydrophobicContact CG-CB 4.47Å; F186-L245 HydrophobicContact CG-CD1 3.89Å; F186-L245 HydrophobicContact CZ-CB 3.97Å; V193-L245 HydrophobicContact CG2-CD1 3.98Å; N239-L245 HydrophobicContact CB-CD1 3.71Å; N239-L245 HydrophobicContact CB-CG 4.18Å; L245-H247 PolarHBondContact O-N 3.03Å; L245-I259 HydrophobicContact CD1-CG2 4.34Å; L245-D270 PolarHBondContact N-OD1 3.49Å; L245-D270 PolarHBondContact N-OD2 2.95Å; L245-D270 VanDerWaalsContact N-OD2 3.08Å
246	E	97.1	Very high	95.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.			trans	-97.2	99	-171.8	-177.5	58.6	-80.2	0	0	111.8	R185 R248 P256 I257 S268 R269 D270	R185-E246 IonicContact CZ-OE1 3.04Å; R185-E246 IonicContact CZ-OE2 2.73Å; R185-E246 IonicContact NH1-OE1 2.76Å; R185-E246 IonicContact NH1-OE2 3.44Å; R185-E246 PolarHBondContact NH1-OE2 2.92Å; R185-E246 IonicContact NH2-OE1 2.75Å; R185-E246 PolarHBondContact NH2-OE1 3.34Å; R185-E246 IonicContact NH2-OE2 3.32Å; R185-E246 PolarHBondContact NH2-OE2 2.99Å; E246-R248 VanDerWaalsContact OE1-CB 3.28Å; E246-R248 WeakPolarHBondContact OE1-CB 2.99Å; E246-R248 VanDerWaalsContact OE1-CG 3.31Å; E246-R248 WeakPolarHBondContact OE1-CG 3.27Å; E246-R248 PolarHBondContact OE1-N 2.91Å; E246-R248 IonicContact OE1-NE 2.8Å; E246-R248 PolarHBondContact OE1-NE 3.08Å; E246-R248 IonicContact OE2-CZ 3.89Å; E246-R248 IonicContact OE2-NE 3.54Å; E246-R248 PolarHBondContact OE2-NE 2.76Å; E246-R248 IonicContact OE2-NH2 2.85Å; E246-R248 PolarHBondContact OE2-NH2 3.49Å; E246-P256 HydrophobicContact CG-CB 3.63Å; E246-I257 WeakPolarHBondContact CG-O 3.37Å; E246-I257 VanDerWaalsContact OE2-CG1 3.28Å; E246-I257 WeakPolarHBondContact OE2-CG1 3.36Å; E246-I257 PolarHBondContact OE2-N 2.93Å; E246-S268 CarbonylContact O-C 3.56Å; E246-S268 VanDerWaalsContact O-CA 3.27Å; E246-S268 WeakPolarHBondContact O-CA 3.3Å; E246-R269 HydrophobicContact CG-CB 4.24Å; E246-R269 PolarHBondContact O-N 3.05Å; E246-D270 PolarHBondContact N-OD2 2.95Å
247	H	96.9	Very high	95.6	Very high	94 Å²	94	51 Å²	51	44%	0.435	27%	0.274	S	S	.	.			trans	-98.2	-1	-179.9	-66.7	-74.2	0	0	0	114.4	L245 D267	L245-H247 PolarHBondContact O-N 3.03Å; H247-D267 IonicContact CE1-OD1 3.69Å; H247-D267 PolarHBondContact ND1-O 3.22Å; H247-D267 IonicContact ND1-OD1 3.08Å; H247-D267 IonicContact ND1-OD2 3.77Å
248	R	97.1	Very high	95.5	Very high	33 Å²	33	51.1 Å²	51.1	13%	0.125	28%	0.275	C	S	.	.			trans	-62.3	142.6	175.2	-73.5	-174.4	-69.2	-174.6	-3.7	111.3	E181 E246 D252 P254 G255 P256 R269	E181-R248 IonicContact OE1-NH1 3.73Å; E181-R248 IonicContact OE2-CZ 2.95Å; E181-R248 VanDerWaalsContact OE2-CZ 3.3Å; E181-R248 IonicContact OE2-NH1 2.79Å; E181-R248 PolarHBondContact OE2-NH1 2.76Å; E181-R248 IonicContact OE2-NH2 3.15Å; E181-R248 PolarHBondContact OE2-NH2 2.75Å; E246-R248 VanDerWaalsContact OE1-CB 3.28Å; E246-R248 WeakPolarHBondContact OE1-CB 2.99Å; E246-R248 VanDerWaalsContact OE1-CG 3.31Å; E246-R248 WeakPolarHBondContact OE1-CG 3.27Å; E246-R248 PolarHBondContact OE1-N 2.91Å; E246-R248 IonicContact OE1-NE 2.8Å; E246-R248 PolarHBondContact OE1-NE 3.08Å; E246-R248 IonicContact OE2-CZ 3.89Å; E246-R248 IonicContact OE2-NE 3.54Å; E246-R248 PolarHBondContact OE2-NE 2.76Å; E246-R248 IonicContact OE2-NH2 2.85Å; E246-R248 PolarHBondContact OE2-NH2 3.49Å; R248-D252 VanDerWaalsContact CA-OD2 3.27Å; R248-D252 WeakPolarHBondContact CA-OD2 3.49Å; R248-D252 HydrophobicContact CB-CB 4.29Å; R248-D252 WeakPolarHBondContact CB-OD2 3.2Å; R248-P254 VanDerWaalsContact CD-O 3.27Å; R248-P254 WeakPolarHBondContact CD-O 3.39Å; R248-P254 PolarHBondContact NH1-O 2.98Å; R248-G255 PolarHBondContact NE-O 3.01Å; R248-G255 PolarHBondContact NH1-O 3.31Å; R248-G255 VanDerWaalsContact NH1-O 3.12Å; R248-G255 PolarHBondContact NH2-O 3.06Å; R248-P256 HydrophobicContact CB-CB 4.08Å; R248-R269 VanDerWaalsContact O-CG 3.25Å; R248-R269 WeakPolarHBondContact O-CG 3.48Å
249	K	95.2	Very high	95.5	Very high	139 Å²	139	50.9 Å²	50.9	60%	0.604	27%	0.274	S	S	*	.			trans	-81.2	154.6	172.2	-61.4	176.1	-176.4	174.1	0	109.2	N251 D252 P256	K249-N251 PolarHBondContact O-N 2.99Å; K249-D252 PolarHBondContact N-OD2 2.85Å; K249-D252 WeakPolarHBondContact O-CB 3.43Å; K249-D252 PolarHBondContact O-N 3.36Å; K249-P256 WeakPolarHBondContact O-CD 3.06Å
250	V	93.2	Very high	95.6	Very high	76 Å²	76	50.8 Å²	50.8	46%	0.461	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-29.1	177.9	178.3	0	0	0	0	112.7
251	N	93.8	Very high	95.7	Very high	147 Å²	147	50.4 Å²	50.4	79%	0.786	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	1.3	-175.7	-51.7	5.5	0	0	0	113.3	K249	K249-N251 PolarHBondContact O-N 2.99Å
252	D	95.5	Very high	95.8	Very high	66 Å²	66	49.5 Å²	49.5	35%	0.353	26%	0.261	S	S	.	.	S	Bend	trans	-71.9	161	177.4	-67.1	-12.4	0	0	0	110.8	R248 K249 P254 G255	R248-D252 VanDerWaalsContact CA-OD2 3.27Å; R248-D252 WeakPolarHBondContact CA-OD2 3.49Å; R248-D252 HydrophobicContact CB-CB 4.29Å; R248-D252 WeakPolarHBondContact CB-OD2 3.2Å; K249-D252 PolarHBondContact N-OD2 2.85Å; K249-D252 WeakPolarHBondContact O-CB 3.43Å; K249-D252 PolarHBondContact O-N 3.36Å; D252-P254 CarbonylContact O-C 3.32Å; D252-G255 VanDerWaalsContact O-CA 3.28Å; D252-G255 WeakPolarHBondContact O-CA 3.15Å; D252-G255 PolarHBondContact O-N 3.47Å; D252-G255 VanDerWaalsContact O-N 3.1Å
253	T	92.5	Very high	96.1	Very high	142 Å²	142	46.9 Å²	46.9	87%	0.871	25%	0.247	S	C	*	.	S	Bend	trans	-130.3	114	176.1	-57.2	0	0	0	0	110.2
254	P	91.8	Very high	96.2	Very high	66 Å²	66	40.8 Å²	40.8	43%	0.429	22%	0.224	S	C	.	.	S	Bend	cis	-65.9	149.5	-5.4	9.6	-1.4	0	0	0	111.7	R248 D252	R248-P254 VanDerWaalsContact CD-O 3.27Å; R248-P254 WeakPolarHBondContact CD-O 3.39Å; R248-P254 PolarHBondContact NH1-O 2.98Å; D252-P254 CarbonylContact O-C 3.32Å
255	G	95.1	Very high	96.2	Very high	24 Å²	24	40.6 Å²	40.6	25%	0.247	22%	0.223	C	C	.	.			trans	-66.4	176.4	176.7	0	0	0	0	0	113.3	R248 D252	R248-G255 PolarHBondContact NE-O 3.01Å; R248-G255 PolarHBondContact NH1-O 3.31Å; R248-G255 VanDerWaalsContact NH1-O 3.12Å; R248-G255 PolarHBondContact NH2-O 3.06Å; D252-G255 VanDerWaalsContact O-CA 3.28Å; D252-G255 WeakPolarHBondContact O-CA 3.15Å; D252-G255 PolarHBondContact O-N 3.47Å; D252-G255 VanDerWaalsContact O-N 3.1Å
256	P	97.3	Very high	96.2	Very high	14 Å²	14	45 Å²	45	9%	0.091	25%	0.246	C	C	.	.			trans	-65.8	151.1	-175.6	29.6	-34.6	0	0	0	111.6	F170 E246 R248 K249 R269	F170-P256 HydrophobicContact CE1-CB 3.95Å; F170-P256 HydrophobicContact CE1-CG 4.01Å; F170-P256 HydrophobicContact CZ-CB 4.39Å; E246-P256 HydrophobicContact CG-CB 3.63Å; R248-P256 HydrophobicContact CB-CB 4.08Å; K249-P256 WeakPolarHBondContact O-CD 3.06Å; P256-R269 HydrophobicContact CB-CB 4.26Å; P256-R269 HydrophobicContact CB-CG 4.24Å
257	I	97.1	Very high	96.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.271	C	S	.	.			trans	-108.3	140.3	172.2	57.6	-176.5	0	0	0	111.1	F170 Q177 M178 E181 V182 F186 E246 I259	F170-I257 VanDerWaalsContact CE1-C 3.49Å; Q177-I257 HydrophobicContact CG-CG2 4.07Å; M178-I257 HydrophobicContact CG-CB 4.34Å; M178-I257 HydrophobicContact CG-CG2 4.42Å; E181-I257 HydrophobicContact CB-CD1 3.91Å; V182-I257 HydrophobicContact CG2-CD1 3.49Å; V182-I257 VanDerWaalsContact CG2-CD1 3.49Å; F186-I257 HydrophobicContact CE2-CD1 4.1Å; F186-I257 HydrophobicContact CE2-CG1 4.48Å; E246-I257 WeakPolarHBondContact CG-O 3.37Å; E246-I257 VanDerWaalsContact OE2-CG1 3.28Å; E246-I257 WeakPolarHBondContact OE2-CG1 3.36Å; E246-I257 PolarHBondContact OE2-N 2.93Å; I257-I259 HydrophobicContact CD1-CD1 4.47Å; I257-I259 HydrophobicContact CG1-CD1 4.37Å; I257-I259 HydrophobicContact CG1-CG1 4.43Å; I257-I259 PolarHBondContact O-N 3.3Å
258	P	97.5	Very high	96.2	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.026	25%	0.251	C	S	.	.			trans	-74.8	110.8	-176.5	29.2	-33.9	0	0	0	110.8	F170 I173 M178 I271 Y468	F170-P258 HydrophobicContact CD1-CB 3.92Å; F170-P258 HydrophobicContact CD1-CG 4.22Å; F170-P258 HydrophobicContact CD2-CB 3.95Å; F170-P258 HydrophobicContact CE1-CB 3.99Å; F170-P258 HydrophobicContact CE1-CG 4.49Å; F170-P258 HydrophobicContact CE2-CB 4.01Å; F170-P258 HydrophobicContact CG-CB 3.9Å; F170-P258 HydrophobicContact CG-CG 4.44Å; F170-P258 HydrophobicContact CZ-CB 4.03Å; I173-P258 HydrophobicContact CB-CG 4.26Å; I173-P258 HydrophobicContact CD1-CB 4.35Å; I173-P258 HydrophobicContact CD1-CG 3.91Å; I173-P258 HydrophobicContact CG1-CG 3.87Å; I173-P258 HydrophobicContact CG2-CG 3.54Å; M178-P258 HydrophobicContact CE-CG 4.07Å; M178-P258 WeakPolarHBondContact CE-O 3.14Å; M178-P258 HydrophobicContact SD-CG 3.77Å; P258-I271 HydrophobicContact CB-CD1 3.61Å; P258-Y468 HydrophobicContact CB-CE2 3.98Å; P258-Y468 HydrophobicContact CG-CE2 4.19Å
259	I	97.9	Very high	96.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.			trans	-111.6	133.2	171.2	-54.3	-61.5	0	0	0	108	M178 V182 F186 N239 L245 I257 D270 I271	M178-I259 HydrophobicContact CE-CD1 4.45Å; V182-I259 HydrophobicContact CG1-CD1 4.18Å; V182-I259 HydrophobicContact CG2-CD1 3.58Å; F186-I259 HydrophobicContact CD2-CD1 4.36Å; F186-I259 HydrophobicContact CD2-CG1 4.42Å; F186-I259 HydrophobicContact CE2-CD1 4.38Å; F186-I259 HydrophobicContact CE2-CG1 4.11Å; N239-I259 HydrophobicContact CB-CG2 3.88Å; L245-I259 HydrophobicContact CD1-CG2 4.34Å; I257-I259 HydrophobicContact CD1-CD1 4.47Å; I257-I259 HydrophobicContact CG1-CD1 4.37Å; I257-I259 HydrophobicContact CG1-CG1 4.43Å; I257-I259 PolarHBondContact O-N 3.3Å; I259-D270 CarbonylContact O-C 3.48Å; I259-D270 VanDerWaalsContact O-CA 3.26Å; I259-D270 WeakPolarHBondContact O-CA 3.36Å; I259-I271 PolarHBondContact O-N 3.21Å
260	I	98.6	Very high	96.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128.9	173.7	-65.2	-176.7	0	0	0	109	F236 Y237 I238 N239 I271 L273 V464 Y468	F236-I260 HydrophobicContact CD2-CD1 3.62Å; F236-I260 HydrophobicContact CE2-CD1 4.14Å; F236-I260 HydrophobicContact CG-CD1 4.25Å; Y237-I260 WeakPolarHBondContact O-CB 3.23Å; Y237-I260 PolarHBondContact O-N 3.01Å; I238-I260 CarbonylContact C-O 3.47Å; I238-I260 WeakPolarHBondContact CA-O 3.27Å; I238-I260 HydrophobicContact CG1-CB 4.11Å; I238-I260 HydrophobicContact CG1-CG2 4.12Å; N239-I260 PolarHBondContact N-O 3.46Å; I260-I271 CarbonylContact C-O 3.45Å; I260-I271 VanDerWaalsContact CA-O 3.25Å; I260-I271 WeakPolarHBondContact CA-O 3Å; I260-I271 HydrophobicContact CG1-CB 4.22Å; I260-I271 HydrophobicContact CG1-CG2 4.38Å; I260-L273 HydrophobicContact CG2-CB 4.23Å; I260-L273 HydrophobicContact CG2-CD1 3.27Å; I260-L273 HydrophobicContact CG2-CG 3.49Å; I260-L273 VanDerWaalsContact CG2-CG 3.49Å; I260-V464 HydrophobicContact CD1-CG1 4.21Å; I260-Y468 HydrophobicContact CD1-CD2 4.44Å
261	S	98.4	Very high	96.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.2	179.6	-74.5	0	0	0	0	112.1	N239 D270 I271 I272 L273	N239-S261 VanDerWaalsContact CB-OG 3.31Å; N239-S261 WeakPolarHBondContact CB-OG 2.78Å; N239-S261 PolarHBondContact ND2-OG 2.95Å; S261-D270 WeakPolarHBondContact CB-OD1 3.49Å; S261-D270 PolarHBondContact OG-OD1 3.12Å; S261-I271 PolarHBondContact N-O 2.95Å; S261-I272 WeakPolarHBondContact O-CA 3.27Å; S261-L273 PolarHBondContact O-N 3.25Å
262	W	97.2	Very high	96.9	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.008	17%	0.172	C	C	.	.	S	Bend	trans	-75.4	-26.6	175.1	-55.2	117.6	0	0	0	113.2	I238 N239 L240 L273 P274 T275 Y276 Y380 Y461	I238-W262 HydrophobicContact CG2-CZ2 4.35Å; N239-W262 PolarHBondContact O-NE1 3.1Å; L240-W262 HydrophobicContact CD2-CZ2 4.24Å; W262-L273 HydrophobicContact CE3-CB 4.44Å; W262-L273 HydrophobicContact CZ3-CB 4.4Å; W262-P274 WeakPolarHBondContact CZ3-O 3.2Å; W262-T275 HydrophobicContact CB-CG2 4.47Å; W262-T275 VanDerWaalsContact O-CG2 3.31Å; W262-T275 WeakPolarHBondContact O-CG2 3.24Å; W262-Y276 HydrophobicContact CD2-CD1 4.48Å; W262-Y276 HydrophobicContact CG-CD1 4.26Å; W262-Y380 WeakPolarHBondContact CB-OH 3.43Å; W262-Y461 WeakPolarHBondContact CZ3-OH 3.25Å
263	C	97.6	Very high	97	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	16%	0.156	C	C	.	.			trans	-138.5	138.2	-178.7	-173.2	0	0	0	0	110	V377 Y380 Y400	C263-V377 HydrophobicContact CB-CB 4.28Å; C263-V377 HydrophobicContact CB-CG2 3.89Å; C263-Y380 HydrophobicContact CB-CE1 4.38Å; C263-Y400 PolarHBondContact SG-O 2.77Å; C263-Y400 VanDerWaalsContact SG-O 3.36Å
264	G	97.7	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	169.4	173.9	0	0	0	0	0	112.1	Y399 Y400	G264-Y399 CarbonylContact O-C 3.53Å; G264-Y399 VanDerWaalsContact O-CA 3.26Å; G264-Y399 WeakPolarHBondContact O-CA 3.44Å; G264-Y400 PolarHBondContact N-O 2.89Å; G264-Y400 PolarHBondContact O-N 3.15Å
265	S	97.6	Very high	97.6	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.007	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158	173	65.9	0	0	0	0	111.8	D267 S268 P398 Y400	S265-D267 VanDerWaalsContact CB-OD1 3.24Å; S265-D267 WeakPolarHBondContact CB-OD1 3.15Å; S265-D267 PolarHBondContact O-N 3.02Å; S265-D267 PolarHBondContact OG-OD1 3.32Å; S265-S268 PolarHBondContact N-OG 3.14Å; S265-S268 PolarHBondContact O-N 2.99Å; S265-S268 VanDerWaalsContact O-N 3.07Å; S265-S268 PolarHBondContact O-OG 2.89Å; S265-S268 VanDerWaalsContact O-OG 3.12Å; S265-S268 VanDerWaalsContact OG-CB 3.28Å; S265-S268 WeakPolarHBondContact OG-CB 3.06Å; S265-S268 PolarHBondContact OG-N 3.28Å; S265-S268 PolarHBondContact OG-OG 2.66Å; S265-P398 CarbonylContact C-O 3.52Å; S265-P398 WeakPolarHBondContact CA-O 3.48Å; S265-Y400 VanDerWaalsContact C-CE1 3.48Å; S265-Y400 WeakPolarHBondContact O-CE1 3.48Å
266	L	96.3	Very high	97.6	Very high	134 Å²	134	18.8 Å²	18.8	70%	0.702	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-19.9	178.9	-63	-179.1	0	0	0	114.1	P398	L266-P398 HydrophobicContact CD1-CB 4.41Å; L266-P398 HydrophobicContact CG-CB 4.36Å; L266-P398 PolarHBondContact N-O 3.34Å
267	D	96.3	Very high	97.6	Very high	97 Å²	97	20.9 Å²	20.9	52%	0.519	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	10	-178.9	66.9	-19	0	0	0	113.9	H247 S265	H247-D267 IonicContact CE1-OD1 3.69Å; H247-D267 PolarHBondContact ND1-O 3.22Å; H247-D267 IonicContact ND1-OD1 3.08Å; H247-D267 IonicContact ND1-OD2 3.77Å; S265-D267 VanDerWaalsContact CB-OD1 3.24Å; S265-D267 WeakPolarHBondContact CB-OD1 3.15Å; S265-D267 PolarHBondContact O-N 3.02Å; S265-D267 PolarHBondContact OG-OD1 3.32Å
268	S	97.4	Very high	97.6	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.014	10%	0.101	C	C	.	.			trans	-113.1	168.2	173.2	56.9	0	0	0	0	112.4	P244 E246 S265	P244-S268 WeakPolarHBondContact CB-OG 3.48Å; E246-S268 CarbonylContact O-C 3.56Å; E246-S268 VanDerWaalsContact O-CA 3.27Å; E246-S268 WeakPolarHBondContact O-CA 3.3Å; S265-S268 PolarHBondContact N-OG 3.14Å; S265-S268 PolarHBondContact O-N 2.99Å; S265-S268 VanDerWaalsContact O-N 3.07Å; S265-S268 PolarHBondContact O-OG 2.89Å; S265-S268 VanDerWaalsContact O-OG 3.12Å; S265-S268 VanDerWaalsContact OG-CB 3.28Å; S265-S268 WeakPolarHBondContact OG-CB 3.06Å; S265-S268 PolarHBondContact OG-N 3.28Å; S265-S268 PolarHBondContact OG-OG 2.66Å
269	R	97.8	Very high	97.5	Very high	86 Å²	86	20.7 Å²	20.7	33%	0.325	10%	0.1	S	C	.	.			trans	-123	14	-179.7	-55.4	-60	169.3	-159.5	-1.6	112.4	S169 F170 E246 R248 P256	S169-R269 WeakPolarHBondContact OG-CD 3.41Å; F170-R269 HydrophobicContact CE2-CB 4.44Å; F170-R269 WeakPolarHBondContact CE2-O 3.5Å; F170-R269 HydrophobicContact CZ-CB 3.86Å; F170-R269 WeakPolarHBondContact CZ-O 3.2Å; E246-R269 HydrophobicContact CG-CB 4.24Å; E246-R269 PolarHBondContact O-N 3.05Å; R248-R269 VanDerWaalsContact O-CG 3.25Å; R248-R269 WeakPolarHBondContact O-CG 3.48Å; P256-R269 HydrophobicContact CB-CB 4.26Å; P256-R269 HydrophobicContact CB-CG 4.24Å
270	D	98.5	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-60.3	145	176	-63.1	-126	0	0	0	111.1	P244 L245 E246 I259 S261 I272	P244-D270 HydrophobicContact CB-CB 4.31Å; L245-D270 PolarHBondContact N-OD1 3.49Å; L245-D270 PolarHBondContact N-OD2 2.95Å; L245-D270 VanDerWaalsContact N-OD2 3.08Å; E246-D270 PolarHBondContact N-OD2 2.95Å; I259-D270 CarbonylContact O-C 3.48Å; I259-D270 VanDerWaalsContact O-CA 3.26Å; I259-D270 WeakPolarHBondContact O-CA 3.36Å; S261-D270 WeakPolarHBondContact CB-OD1 3.49Å; S261-D270 PolarHBondContact OG-OD1 3.12Å; D270-I272 HydrophobicContact CB-CD1 3.83Å; D270-I272 WeakPolarHBondContact O-CD1 3.46Å
271	I	98.8	Very high	97.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.4	172.7	-63.8	163.5	0	0	0	107.9	D166 F167 F170 P258 I259 I260 S261 V464 Y468	D166-I271 HydrophobicContact CB-CB 4.46Å; D166-I271 HydrophobicContact CB-CG1 4.26Å; D166-I271 HydrophobicContact CB-CG2 4.44Å; F167-I271 HydrophobicContact CD1-CD1 4.32Å; F167-I271 HydrophobicContact CD2-CG2 4.42Å; F167-I271 HydrophobicContact CE1-CD1 3.77Å; F167-I271 HydrophobicContact CE2-CD1 4.04Å; F167-I271 HydrophobicContact CE2-CG1 4.26Å; F167-I271 HydrophobicContact CE2-CG2 3.69Å; F167-I271 HydrophobicContact CZ-CD1 3.65Å; F167-I271 HydrophobicContact CZ-CG1 4.37Å; F167-I271 HydrophobicContact CZ-CG2 4.14Å; F170-I271 HydrophobicContact CD2-CD1 4.24Å; F170-I271 HydrophobicContact CD2-CG1 4.3Å; F170-I271 HydrophobicContact CE2-CD1 4.41Å; F170-I271 HydrophobicContact CE2-CG1 4.14Å; P258-I271 HydrophobicContact CB-CD1 3.61Å; I259-I271 PolarHBondContact O-N 3.21Å; I260-I271 CarbonylContact C-O 3.45Å; I260-I271 VanDerWaalsContact CA-O 3.25Å; I260-I271 WeakPolarHBondContact CA-O 3Å; I260-I271 HydrophobicContact CG1-CB 4.22Å; I260-I271 HydrophobicContact CG1-CG2 4.38Å; S261-I271 PolarHBondContact N-O 2.95Å; I271-V464 HydrophobicContact CG2-CG1 3.73Å; I271-Y468 HydrophobicContact CD1-CD2 3.87Å; I271-Y468 HydrophobicContact CD1-CE2 3.94Å
272	I	98.5	Very high	97.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.8	-166.6	-52.1	-46.1	0	0	0	110.7	D166 S261 D270 Y400 H402 Y460	D166-I272 PolarHBondContact OD2-N 3.06Å; S261-I272 WeakPolarHBondContact O-CA 3.27Å; D270-I272 HydrophobicContact CB-CD1 3.83Å; D270-I272 WeakPolarHBondContact O-CD1 3.46Å; I272-Y400 HydrophobicContact CG1-CD2 4.38Å; I272-Y400 HydrophobicContact CG1-CE2 3.61Å; I272-H402 HydrophobicContact CG2-CB 4.22Å; I272-Y460 WeakPolarHBondContact O-CE1 3.37Å; I272-Y460 PolarHBondContact O-OH 3.47Å
273	L	98.3	Very high	97.3	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-95.1	161.3	167.5	-76.5	179.1	0	0	0	111.2	I260 S261 W262 T275 Y461 V464	I260-L273 HydrophobicContact CG2-CB 4.23Å; I260-L273 HydrophobicContact CG2-CD1 3.27Å; I260-L273 HydrophobicContact CG2-CG 3.49Å; I260-L273 VanDerWaalsContact CG2-CG 3.49Å; S261-L273 PolarHBondContact O-N 3.25Å; W262-L273 HydrophobicContact CE3-CB 4.44Å; W262-L273 HydrophobicContact CZ3-CB 4.4Å; L273-T275 PolarHBondContact O-N 3.35Å; L273-Y461 HydrophobicContact CB-CE1 4.34Å; L273-Y461 HydrophobicContact CD1-CD1 3.99Å; L273-Y461 HydrophobicContact CD1-CE1 3.6Å; L273-Y461 HydrophobicContact CD2-CD1 3.72Å; L273-Y461 HydrophobicContact CD2-CE1 3.94Å; L273-Y461 HydrophobicContact CD2-CG 4.15Å; L273-Y461 HydrophobicContact CG-CD1 4.43Å; L273-Y461 HydrophobicContact CG-CE1 4.19Å; L273-V464 HydrophobicContact CD2-CB 3.94Å; L273-V464 HydrophobicContact CD2-CG1 4Å; L273-V464 HydrophobicContact CD2-CG2 3.9Å
274	P	98.1	Very high	97.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-53.4	136.8	164.3	-22.5	33.3	0	0	0	111	W262 H402 L457 Y460 Y461	W262-P274 WeakPolarHBondContact CZ3-O 3.2Å; P274-H402 WeakPolarHBondContact CA-ND1 3.46Å; P274-L457 HydrophobicContact CB-CD1 3.24Å; P274-L457 HydrophobicContact CB-CG 4.32Å; P274-L457 HydrophobicContact CG-CD1 3.47Å; P274-L457 VanDerWaalsContact CG-CD1 3.47Å; P274-L457 HydrophobicContact CG-CG 4.22Å; P274-Y460 HydrophobicContact CG-CD1 4Å; P274-Y460 HydrophobicContact CG-CG 4.46Å; P274-Y461 HydrophobicContact CB-CE2 3.82Å; P274-Y461 HydrophobicContact CG-CD2 3.87Å; P274-Y461 HydrophobicContact CG-CE2 3.53Å; P274-Y461 PolarHBondContact O-OH 2.82Å
275	T	97.6	Very high	97.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-59.6	153.1	-174	55.5	0	0	0	0	111.5	W262 L273 D277 V278 T279 Y380 E401	W262-T275 HydrophobicContact CB-CG2 4.47Å; W262-T275 VanDerWaalsContact O-CG2 3.31Å; W262-T275 WeakPolarHBondContact O-CG2 3.24Å; L273-T275 PolarHBondContact O-N 3.35Å; T275-D277 PolarHBondContact O-N 2.72Å; T275-V278 PolarHBondContact O-N 2.92Å; T275-V278 WeakPolarHBondContact OG1-CG2 3.38Å; T275-T279 WeakPolarHBondContact O-CB 3.28Å; T275-T279 PolarHBondContact O-N 2.71Å; T275-T279 PolarHBondContact O-OG1 2.9Å; T275-Y380 HydrophobicContact CG2-CD1 3.53Å; T275-Y380 HydrophobicContact CG2-CD2 4.42Å; T275-Y380 HydrophobicContact CG2-CE1 3.3Å; T275-Y380 HydrophobicContact CG2-CE2 4.24Å; T275-Y380 HydrophobicContact CG2-CG 4.1Å; T275-E401 HydrophobicContact CG2-CG 3.9Å; T275-E401 WeakPolarHBondContact CG2-OE2 3.35Å; T275-E401 PolarHBondContact OG1-OE2 2.94Å
276	Y	96.3	Very high	96.8	Very high	46 Å²	46	25.8 Å²	25.8	18%	0.18	13%	0.126	C	C	.	.	H	α-helix	trans	-53.9	-31.2	177.7	67.1	-105.6	0	0	0	112.1	F214 F217 W262 H280 Y380	F214-Y276 HydrophobicContact CD1-CD1 4Å; F214-Y276 HydrophobicContact CD1-CD2 4.48Å; F214-Y276 HydrophobicContact CD1-CE1 4.01Å; F214-Y276 HydrophobicContact CD1-CG 4.27Å; F214-Y276 HydrophobicContact CE1-CD1 4.18Å; F214-Y276 HydrophobicContact CE1-CD2 4.29Å; F214-Y276 AromaticContact CE1-CE1 3.75Å; F214-Y276 HydrophobicContact CE1-CE1 3.75Å; F214-Y276 AromaticContact CE1-CE2 3.95Å; F214-Y276 HydrophobicContact CE1-CE2 3.95Å; F214-Y276 HydrophobicContact CE1-CG 4.45Å; F214-Y276 AromaticContact CE1-CZ 3.68Å; F217-Y276 HydrophobicContact CD2-CD2 4.09Å; F217-Y276 HydrophobicContact CD2-CG 4.03Å; F217-Y276 AromaticContact CE2-CD2 3.92Å; F217-Y276 HydrophobicContact CE2-CD2 3.92Å; F217-Y276 HydrophobicContact CE2-CG 4.28Å; F217-Y276 HydrophobicContact CG-CG 4.47Å; F217-Y276 HydrophobicContact CZ-CD2 4.22Å; W262-Y276 HydrophobicContact CD2-CD1 4.48Å; W262-Y276 HydrophobicContact CG-CD1 4.26Å; Y276-H280 WeakPolarHBondContact O-CB 3.37Å; Y276-H280 PolarHBondContact O-N 2.82Å; Y276-Y380 HydrophobicContact CD1-CE2 4.15Å; Y276-Y380 HydrophobicContact CE1-CD2 4.12Å; Y276-Y380 AromaticContact CE1-CE2 3.51Å; Y276-Y380 HydrophobicContact CE1-CE2 3.51Å; Y276-Y380 AromaticContact CZ-CD2 4Å; Y276-Y380 AromaticContact CZ-CE2 3.85Å
277	D	95.8	Very high	96.4	Very high	58 Å²	58	26.2 Å²	26.2	31%	0.31	12%	0.118	S	C	.	.	H	α-helix	trans	-71.4	-47.8	-178.7	-170	82.8	0	0	0	112.3	T275 T279 H280 S281 Y380 Y384	T275-D277 PolarHBondContact O-N 2.72Å; D277-T279 VanDerWaalsContact C-N 3.3Å; D277-T279 PolarHBondContact O-N 2.99Å; D277-H280 PolarHBondContact O-N 3.12Å; D277-S281 VanDerWaalsContact O-CB 3.25Å; D277-S281 WeakPolarHBondContact O-CB 3.1Å; D277-S281 PolarHBondContact O-N 3.27Å; D277-Y380 HydrophobicContact CB-CD2 4.45Å; D277-Y384 PolarHBondContact O-OH 3.29Å; D277-Y384 WeakPolarHBondContact OD2-CE2 3.48Å; D277-Y384 PolarHBondContact OD2-OH 3.23Å
278	V	97	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-37.5	175.1	172.7	0	0	0	0	110.9	T275 T282 L293 P383 L457	T275-V278 PolarHBondContact O-N 2.92Å; T275-V278 WeakPolarHBondContact OG1-CG2 3.38Å; V278-T282 PolarHBondContact O-N 2.84Å; V278-T282 VanDerWaalsContact O-N 3.08Å; V278-T282 PolarHBondContact O-OG1 2.97Å; V278-L293 HydrophobicContact CG1-CD1 3.69Å; V278-L293 HydrophobicContact CG1-CD2 4.44Å; V278-P383 HydrophobicContact CG2-CB 4.17Å; V278-P383 HydrophobicContact CG2-CG 3.74Å; V278-L457 HydrophobicContact CG1-CD1 3.73Å
279	T	96.9	Very high	95.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-66.1	-50.6	176.4	-67.6	0	0	0	0	111.6	I221 T275 D277 S281 T282 L283 Y461	I221-T279 HydrophobicContact CB-CG2 3.61Å; I221-T279 HydrophobicContact CD1-CG2 4.28Å; I221-T279 HydrophobicContact CG1-CG2 3.96Å; I221-T279 HydrophobicContact CG2-CG2 4.04Å; T275-T279 WeakPolarHBondContact O-CB 3.28Å; T275-T279 PolarHBondContact O-N 2.71Å; T275-T279 PolarHBondContact O-OG1 2.9Å; D277-T279 VanDerWaalsContact C-N 3.3Å; D277-T279 PolarHBondContact O-N 2.99Å; T279-S281 VanDerWaalsContact C-N 3.34Å; T279-S281 PolarHBondContact O-N 2.98Å; T279-T282 WeakPolarHBondContact O-CB 3.33Å; T279-T282 PolarHBondContact O-N 3.09Å; T279-L283 HydrophobicContact CG2-CD1 4.11Å; T279-L283 WeakPolarHBondContact O-CG 3.45Å; T279-L283 PolarHBondContact O-N 2.87Å; T279-Y461 WeakPolarHBondContact OG1-CE2 3.35Å; T279-Y461 PolarHBondContact OG1-OH 3.29Å
280	H	96.8	Very high	95	Very high	51 Å²	51	26.7 Å²	26.7	24%	0.236	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-43.4	176.1	-171	69.6	0	0	0	111.2	F217 E220 Y276 D277 T282 L283 E284	F217-H280 HydrophobicContact CD1-CB 3.88Å; F217-H280 AromaticContact CD1-ND1 3.86Å; F217-H280 HydrophobicContact CE1-CB 3.84Å; F217-H280 AromaticContact CE1-CG 3.66Å; F217-H280 AromaticContact CE1-ND1 3.57Å; E220-H280 IonicContact OE2-ND1 3.38Å; Y276-H280 WeakPolarHBondContact O-CB 3.37Å; Y276-H280 PolarHBondContact O-N 2.82Å; D277-H280 PolarHBondContact O-N 3.12Å; H280-T282 PolarHBondContact O-N 3.26Å; H280-T282 VanDerWaalsContact O-N 3.15Å; H280-L283 PolarHBondContact O-N 3.09Å; H280-E284 WeakPolarHBondContact CE1-CG 3.46Å; H280-E284 WeakPolarHBondContact O-CB 3.18Å; H280-E284 PolarHBondContact O-N 2.65Å
281	S	96.8	Very high	94.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-54.7	-34.4	173.3	171	0	0	0	0	112.7	D277 T279 A285 D292 L293 Y384	D277-S281 VanDerWaalsContact O-CB 3.25Å; D277-S281 WeakPolarHBondContact O-CB 3.1Å; D277-S281 PolarHBondContact O-N 3.27Å; T279-S281 VanDerWaalsContact C-N 3.34Å; T279-S281 PolarHBondContact O-N 2.98Å; S281-A285 WeakPolarHBondContact O-CB 3.25Å; S281-A285 PolarHBondContact O-N 2.84Å; S281-D292 WeakPolarHBondContact OG-CA 3.48Å; S281-D292 VanDerWaalsContact OG-CB 3.29Å; S281-D292 WeakPolarHBondContact OG-CB 3.43Å; S281-L293 PolarHBondContact OG-N 2.82Å; S281-Y384 VanDerWaalsContact CB-OH 3.27Å; S281-Y384 WeakPolarHBondContact CB-OH 3.29Å
282	T	96.6	Very high	94.6	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-78.5	-43.3	-178.4	-64.1	0	0	0	0	112	V278 T279 H280 L293 P454 L457 F458	V278-T282 PolarHBondContact O-N 2.84Å; V278-T282 VanDerWaalsContact O-N 3.08Å; V278-T282 PolarHBondContact O-OG1 2.97Å; T279-T282 WeakPolarHBondContact O-CB 3.33Å; T279-T282 PolarHBondContact O-N 3.09Å; H280-T282 PolarHBondContact O-N 3.26Å; H280-T282 VanDerWaalsContact O-N 3.15Å; T282-L293 WeakPolarHBondContact OG1-CD1 3.48Å; T282-P454 HydrophobicContact CG2-CB 3.72Å; T282-P454 HydrophobicContact CG2-CG 4.16Å; T282-L457 HydrophobicContact CG2-CD2 3.81Å; T282-F458 HydrophobicContact CG2-CE2 4.28Å
283	L	96.1	Very high	94.5	Very high	9 Å²	9	29.9 Å²	29.9	5%	0.047	16%	0.163	C	C	.	.	H	α-helix	trans	-71.9	-37.8	-179	-62.2	176.1	0	0	0	111.8	P45 R104 E220 I221 S224 T279 H280 F458	P45-L283 HydrophobicContact CG-CD2 3.79Å; R104-L283 PolarHBondContact NH1-O 3.2Å; E220-L283 HydrophobicContact CB-CD1 3.73Å; I221-L283 HydrophobicContact CB-CD1 4.23Å; I221-L283 HydrophobicContact CD1-CD1 4.42Å; I221-L283 HydrophobicContact CD1-CD2 4.2Å; S224-L283 WeakPolarHBondContact OG-CD2 3.19Å; T279-L283 HydrophobicContact CG2-CD1 4.11Å; T279-L283 WeakPolarHBondContact O-CG 3.45Å; T279-L283 PolarHBondContact O-N 2.87Å; H280-L283 PolarHBondContact O-N 3.09Å; L283-F458 HydrophobicContact CD2-CE1 4.44Å; L283-F458 HydrophobicContact CD2-CZ 3.94Å
284	E	95.6	Very high	94.4	Very high	10 Å²	10	30 Å²	30	5%	0.047	16%	0.163	C	C	.	.	S	Bend	trans	-98.8	2.9	-172.9	-64.3	-55.2	128.3	0	0	115.4	H280 M286 R287 G288 V289	H280-E284 WeakPolarHBondContact CE1-CG 3.46Å; H280-E284 WeakPolarHBondContact O-CB 3.18Å; H280-E284 PolarHBondContact O-N 2.65Å; E284-M286 PolarHBondContact O-N 2.81Å; E284-R287 PolarHBondContact O-N 3.38Å; E284-R287 IonicContact OE1-CZ 3.47Å; E284-R287 IonicContact OE1-NE 2.98Å; E284-R287 PolarHBondContact OE1-NE 2.81Å; E284-R287 IonicContact OE1-NH2 2.67Å; E284-R287 PolarHBondContact OE1-NH2 3.09Å; E284-R287 IonicContact OE2-CZ 3.89Å; E284-R287 IonicContact OE2-NE 3.83Å; E284-R287 PolarHBondContact OE2-NE 2.94Å; E284-R287 IonicContact OE2-NH2 2.73Å; E284-R287 PolarHBondContact OE2-NH2 3Å; E284-G288 PolarHBondContact O-N 3.21Å; E284-G288 VanDerWaalsContact O-N 3.11Å; E284-V289 HydrophobicContact CB-CB 4.07Å; E284-V289 HydrophobicContact CB-CG2 3.57Å; E284-V289 PolarHBondContact O-N 3.33Å; E284-V289 VanDerWaalsContact O-N 3.14Å
285	A	95.3	Very high	94.4	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.025	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-51.4	131.9	172.4	0	0	0	0	0	110.3	V46 R104 S281 R287 D292	V46-A285 HydrophobicContact CB-CB 4.41Å; V46-A285 HydrophobicContact CG2-CB 3.68Å; V46-A285 WeakPolarHBondContact CG2-O 3.42Å; R104-A285 PolarHBondContact NH1-O 2.92Å; S281-A285 WeakPolarHBondContact O-CB 3.25Å; S281-A285 PolarHBondContact O-N 2.84Å; A285-R287 PolarHBondContact O-N 3.05Å; A285-R287 VanDerWaalsContact O-N 3.16Å; A285-D292 HydrophobicContact CB-CB 3.93Å
286	M	91.9	Very high	94.3	Very high	34 Å²	34	30.5 Å²	30.5	17%	0.167	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	17.6	-177.4	-56.9	171.7	46.1	0	0	115.2	V46 Y87 P89 R102 R104 E284	V46-M286 HydrophobicContact CB-SD 4.47Å; V46-M286 HydrophobicContact CG1-SD 3.52Å; V46-M286 VanDerWaalsContact CG1-SD 3.52Å; V46-M286 HydrophobicContact CG2-CB 4.15Å; V46-M286 HydrophobicContact CG2-CG 4.21Å; V46-M286 HydrophobicContact CG2-SD 4.05Å; Y87-M286 HydrophobicContact CD1-CE 3.39Å; Y87-M286 HydrophobicContact CE1-CE 3.69Å; Y87-M286 HydrophobicContact CG-CE 4.4Å; P89-M286 HydrophobicContact CG-CE 3.57Å; P89-M286 HydrophobicContact CG-SD 4.1Å; R102-M286 HydrophobicContact CB-SD 3.53Å; R102-M286 VanDerWaalsContact CB-SD 3.53Å; R104-M286 HydrophobicContact CB-CE 4.12Å; E284-M286 PolarHBondContact O-N 2.81Å
287	R	87.5	Confident	94.3	Very high	143 Å²	143	28.5 Å²	28.5	54%	0.54	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-75.4	169.9	-171	175.8	80.7	127.8	2.1	110.6	E284 A285	E284-R287 PolarHBondContact O-N 3.38Å; E284-R287 IonicContact OE1-CZ 3.47Å; E284-R287 IonicContact OE1-NE 2.98Å; E284-R287 PolarHBondContact OE1-NE 2.81Å; E284-R287 IonicContact OE1-NH2 2.67Å; E284-R287 PolarHBondContact OE1-NH2 3.09Å; E284-R287 IonicContact OE2-CZ 3.89Å; E284-R287 IonicContact OE2-NE 3.83Å; E284-R287 PolarHBondContact OE2-NE 2.94Å; E284-R287 IonicContact OE2-NH2 2.73Å; E284-R287 PolarHBondContact OE2-NH2 3Å; A285-R287 PolarHBondContact O-N 3.05Å; A285-R287 VanDerWaalsContact O-N 3.16Å
288	G	85.1	Confident	94.2	Very high	59 Å²	59	26.5 Å²	26.5	61%	0.608	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-19.3	-178	0	0	0	0	0	114.7	E284	E284-G288 PolarHBondContact O-N 3.21Å; E284-G288 VanDerWaalsContact O-N 3.11Å
289	V	90.6	Very high	94.1	Very high	29 Å²	29	29.1 Å²	29.1	18%	0.176	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-112.8	119.2	-176.6	179.4	0	0	0	0	110.3	E284 D292	E284-V289 HydrophobicContact CB-CB 4.07Å; E284-V289 HydrophobicContact CB-CG2 3.57Å; E284-V289 PolarHBondContact O-N 3.33Å; E284-V289 VanDerWaalsContact O-N 3.14Å; V289-D292 HydrophobicContact CG1-CB 4.03Å
290	T	87.4	Confident	93.9	Very high	106 Å²	106	29.1 Å²	29.1	65%	0.65	17%	0.166	S	C	*	.	S	Bend	trans	-95	-31.1	179.4	52.5	0	0	0	0	113.1	D292 S295	T290-D292 PolarHBondContact O-N 3.46Å; T290-S295 WeakPolarHBondContact O-CB 3.14Å; T290-S295 PolarHBondContact O-OG 2.56Å
291	N	92	Very high	93.5	Very high	62 Å²	62	28.3 Å²	28.3	33%	0.332	17%	0.171	S	C	.	.	S	Bend	trans	-88.3	41.1	175.8	-62.7	-29.3	0	0	0	111.3	F361 F362 Y384	N291-F361 HydrophobicContact CB-CD1 4.34Å; N291-F362 HydrophobicContact CB-CE1 4.4Å; N291-F362 VanDerWaalsContact OD1-CZ 3.27Å; N291-F362 WeakPolarHBondContact OD1-CZ 3.44Å; N291-Y384 WeakPolarHBondContact O-CE1 3.24Å
292	D	95.9	Very high	93.2	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.011	19%	0.186	C	C	.	.			trans	-75.7	162.5	-176.4	67.9	83.8	0	0	0	113.1	R102 S281 A285 V289 T290 L294 S295 V296	R102-D292 IonicContact NH1-OD1 2.92Å; R102-D292 IonicContact NH1-OD2 2.81Å; S281-D292 WeakPolarHBondContact OG-CA 3.48Å; S281-D292 VanDerWaalsContact OG-CB 3.29Å; S281-D292 WeakPolarHBondContact OG-CB 3.43Å; A285-D292 HydrophobicContact CB-CB 3.93Å; V289-D292 HydrophobicContact CG1-CB 4.03Å; T290-D292 PolarHBondContact O-N 3.46Å; D292-L294 PolarHBondContact O-N 3.41Å; D292-L294 VanDerWaalsContact O-N 3.09Å; D292-L294 WeakPolarHBondContact OD1-CA 3.43Å; D292-L294 VanDerWaalsContact OD1-CB 3.26Å; D292-L294 WeakPolarHBondContact OD1-CB 3.31Å; D292-L294 PolarHBondContact OD1-N 3.2Å; D292-S295 PolarHBondContact O-N 2.98Å; D292-S295 PolarHBondContact OD1-N 3Å; D292-S295 VanDerWaalsContact OD2-CB 3.28Å; D292-S295 WeakPolarHBondContact OD2-CB 3.27Å; D292-S295 PolarHBondContact OD2-OG 2.93Å; D292-V296 WeakPolarHBondContact O-CG2 3.38Å; D292-V296 PolarHBondContact O-N 3.42Å
293	L	97.1	Very high	93	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-52.2	-31.7	-179.7	-59.2	169.2	0	0	0	113.8	V278 S281 T282 Q297 Y384 L387	V278-L293 HydrophobicContact CG1-CD1 3.69Å; V278-L293 HydrophobicContact CG1-CD2 4.44Å; S281-L293 PolarHBondContact OG-N 2.82Å; T282-L293 WeakPolarHBondContact OG1-CD1 3.48Å; L293-Q297 PolarHBondContact O-NE2 2.95Å; L293-Y384 HydrophobicContact CD2-CD1 3.96Å; L293-Y384 HydrophobicContact CD2-CE1 3.62Å; L293-Y384 HydrophobicContact CG-CE1 4.19Å; L293-L387 HydrophobicContact CB-CD1 3.92Å; L293-L387 HydrophobicContact CD2-CD1 3.55Å; L293-L387 HydrophobicContact CG-CD1 4.34Å
294	L	96.9	Very high	93	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-82.3	-41.9	177	-59.4	177.9	0	0	0	110.8	V46 Y48 L92 L100 R102 D292 V296 Q297 P454	V46-L294 HydrophobicContact CB-CD1 4.45Å; V46-L294 HydrophobicContact CG1-CD1 4.04Å; Y48-L294 HydrophobicContact CD1-CD1 3.95Å; Y48-L294 HydrophobicContact CD1-CD2 4.29Å; Y48-L294 HydrophobicContact CD2-CD2 4.46Å; Y48-L294 HydrophobicContact CE1-CD2 4.39Å; Y48-L294 HydrophobicContact CG-CD1 4.2Å; Y48-L294 HydrophobicContact CG-CD2 4.33Å; L92-L294 WeakPolarHBondContact CD1-O 3.4Å; L100-L294 HydrophobicContact CD2-CB 3.9Å; L100-L294 HydrophobicContact CD2-CD2 4.13Å; L100-L294 WeakPolarHBondContact CD2-O 3.42Å; R102-L294 HydrophobicContact CG-CD1 4.4Å; D292-L294 PolarHBondContact O-N 3.41Å; D292-L294 VanDerWaalsContact O-N 3.09Å; D292-L294 WeakPolarHBondContact OD1-CA 3.43Å; D292-L294 VanDerWaalsContact OD1-CB 3.26Å; D292-L294 WeakPolarHBondContact OD1-CB 3.31Å; D292-L294 PolarHBondContact OD1-N 3.2Å; L294-V296 PolarHBondContact O-N 3.29Å; L294-Q297 PolarHBondContact O-N 3.01Å; L294-P454 HydrophobicContact CD1-CG 4.34Å; L294-P454 HydrophobicContact CD2-CG 4.24Å; L294-P454 HydrophobicContact CG-CG 4.4Å
295	S	96.2	Very high	92.9	Very high	10 Å²	10	39.4 Å²	39.4	7%	0.07	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-41.7	178.4	-71.8	0	0	0	0	113.1	R102 T290 D292 Q297 G298 N299	R102-S295 PolarHBondContact NH1-OG 2.96Å; T290-S295 WeakPolarHBondContact O-CB 3.14Å; T290-S295 PolarHBondContact O-OG 2.56Å; D292-S295 PolarHBondContact O-N 2.98Å; D292-S295 PolarHBondContact OD1-N 3Å; D292-S295 VanDerWaalsContact OD2-CB 3.28Å; D292-S295 WeakPolarHBondContact OD2-CB 3.27Å; D292-S295 PolarHBondContact OD2-OG 2.93Å; S295-Q297 PolarHBondContact O-N 2.83Å; S295-G298 PolarHBondContact O-N 2.76Å; S295-N299 PolarHBondContact O-N 2.85Å; S295-N299 PolarHBondContact O-ND2 3.2Å
296	V	96.8	Very high	93	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.1	-37.8	-180	170.5	0	0	0	0	112	D292 L294 G298 N299 T300 F361 F362 F365 Y384 L387	D292-V296 WeakPolarHBondContact O-CG2 3.38Å; D292-V296 PolarHBondContact O-N 3.42Å; L294-V296 PolarHBondContact O-N 3.29Å; V296-G298 PolarHBondContact O-N 2.6Å; V296-G298 VanDerWaalsContact O-N 3.1Å; V296-N299 PolarHBondContact O-N 3.19Å; V296-T300 VanDerWaalsContact O-CG2 3.31Å; V296-T300 WeakPolarHBondContact O-CG2 3.01Å; V296-F361 HydrophobicContact CG1-CE1 4.43Å; V296-F361 HydrophobicContact CG2-CD1 4.13Å; V296-F361 HydrophobicContact CG2-CE1 3.69Å; V296-F362 HydrophobicContact CG2-CE1 3.97Å; V296-F365 HydrophobicContact CG1-CE2 3.83Å; V296-F365 HydrophobicContact CG1-CZ 3.66Å; V296-Y384 WeakPolarHBondContact CG1-O 3.45Å; V296-Y384 HydrophobicContact CG2-CD1 4.04Å; V296-L387 HydrophobicContact CB-CB 4.33Å; V296-L387 HydrophobicContact CG1-CB 3.72Å
297	Q	96	Very high	93.3	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.023	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.2	-175.3	-62.2	-179.5	44.9	0	0	114.1	R94 L293 L294 S295 L387 R449	R94-Q297 HydrophobicContact CG-CB 4.44Å; L293-Q297 PolarHBondContact O-NE2 2.95Å; L294-Q297 PolarHBondContact O-N 3.01Å; S295-Q297 PolarHBondContact O-N 2.83Å; Q297-L387 HydrophobicContact CG-CD2 4.09Å; Q297-R449 HydrophobicContact CG-CG 4.15Å; Q297-R449 PolarHBondContact O-NH2 2.94Å; Q297-R449 VanDerWaalsContact O-NH2 3.17Å
298	G	93.8	Very high	93.8	Very high	15 Å²	15	39.6 Å²	39.6	16%	0.155	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	5.4	176.3	0	0	0	0	0	115.1	D93 S295 V296	D93-G298 WeakPolarHBondContact O-CA 3.26Å; S295-G298 PolarHBondContact O-N 2.76Å; V296-G298 PolarHBondContact O-N 2.6Å; V296-G298 VanDerWaalsContact O-N 3.1Å
299	N	94.7	Very high	94.4	Very high	56 Å²	56	40.2 Å²	40.2	30%	0.299	24%	0.236	S	C	.	.			trans	-125.4	46.7	-179.5	-69.1	-81	0	0	0	110.1	S295 V296 G301 F362 F365	S295-N299 PolarHBondContact O-N 2.85Å; S295-N299 PolarHBondContact O-ND2 3.2Å; V296-N299 PolarHBondContact O-N 3.19Å; N299-G301 PolarHBondContact O-N 3.47Å; N299-F362 HydrophobicContact CB-CB 3.98Å; N299-F362 HydrophobicContact CB-CD1 3.52Å; N299-F362 HydrophobicContact CB-CD2 3.67Å; N299-F362 HydrophobicContact CB-CE1 3.83Å; N299-F362 HydrophobicContact CB-CE2 3.96Å; N299-F362 HydrophobicContact CB-CG 3.44Å; N299-F362 VanDerWaalsContact CB-CG 3.44Å; N299-F362 HydrophobicContact CB-CZ 4.04Å; N299-F365 VanDerWaalsContact O-CD2 3.23Å; N299-F365 WeakPolarHBondContact O-CD2 3.28Å
300	T	92.6	Very high	94.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	24%	0.242	C	C	.	.			trans	-88.1	19.2	-175.5	68.6	0	0	0	0	113.1	V296 K307 F365 D389	V296-T300 VanDerWaalsContact O-CG2 3.31Å; V296-T300 WeakPolarHBondContact O-CG2 3.01Å; T300-K307 PolarHBondContact O-NZ 2.9Å; T300-F365 WeakPolarHBondContact O-CB 3.11Å; T300-D389 VanDerWaalsContact CB-OD1 3.32Å; T300-D389 WeakPolarHBondContact CB-OD1 3.39Å; T300-D389 HydrophobicContact CG2-CB 4.41Å; T300-D389 PolarHBondContact OG1-OD2 3.17Å; T300-D389 VanDerWaalsContact OG1-OD2 3.06Å
301	G	88.1	Confident	95.3	Very high	33 Å²	33	37 Å²	37	34%	0.34	21%	0.211	S	C	.	.			trans	70.7	-158.7	179.3	0	0	0	0	0	113.6	N299	N299-G301 PolarHBondContact O-N 3.47Å
302	P	92	Very high	95.6	Very high	48 Å²	48	34.1 Å²	34.1	31%	0.312	20%	0.195	S	C	.	.	S	Bend	trans	-71.6	165.3	-179.8	32.9	-35.7	0	0	0	111.4	N306 K307	P302-N306 HydrophobicContact CB-CB 3.91Å; P302-N306 HydrophobicContact CG-CB 4.5Å; P302-K307 HydrophobicContact CG-CG 4.08Å; P302-K307 WeakPolarHBondContact O-CE 3.32Å; P302-K307 PolarHBondContact O-NZ 3.11Å
303	S	92.1	Very high	95.7	Very high	60 Å²	60	34.2 Å²	34.2	42%	0.42	20%	0.195	S	C	.	.			trans	-55.9	152.2	173.1	60.1	0	0	0	0	111.7	I305 N306 K307	S303-I305 VanDerWaalsContact C-N 3.26Å; S303-I305 PolarHBondContact O-N 3Å; S303-N306 WeakPolarHBondContact O-CA 3.43Å; S303-N306 WeakPolarHBondContact O-CB 3.27Å; S303-N306 PolarHBondContact O-N 3.15Å; S303-N306 PolarHBondContact OG-ND2 3.25Å; S303-N306 VanDerWaalsContact OG-ND2 3.12Å; S303-K307 PolarHBondContact O-N 3.01Å
304	W	95.1	Very high	95.8	Very high	22 Å²	22	35.4 Å²	35.4	8%	0.083	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-44.4	-46.2	-174.6	-179.5	-92.3	0	0	0	114.7	N306 K307 K368 L391 D434 A437 K438 A441	W304-N306 PolarHBondContact O-N 3.37Å; W304-K307 HydrophobicContact CE3-CD 4.34Å; W304-K307 WeakPolarHBondContact O-CB 3.31Å; W304-K307 PolarHBondContact O-N 3.12Å; W304-K368 HydrophobicContact CH2-CB 4.31Å; W304-K368 HydrophobicContact CZ2-CD 3.94Å; W304-K368 HydrophobicContact CZ2-CG 4.36Å; W304-K368 WeakPolarHBondContact O-CE 3.49Å; W304-L391 HydrophobicContact CH2-CB 4.14Å; W304-D434 VanDerWaalsContact NE1-CG 3.28Å; W304-D434 PolarHBondContact NE1-OD1 3.48Å; W304-D434 VanDerWaalsContact NE1-OD1 3.09Å; W304-D434 PolarHBondContact NE1-OD2 3.11Å; W304-A437 HydrophobicContact CH2-CB 4.4Å; W304-A437 HydrophobicContact CZ2-CB 4.19Å; W304-K438 HydrophobicContact CB-CD 4.34Å; W304-K438 HydrophobicContact CD2-CB 3.93Å; W304-K438 HydrophobicContact CD2-CD 4.24Å; W304-K438 HydrophobicContact CD2-CG 3.77Å; W304-K438 HydrophobicContact CE3-CB 4.42Å; W304-K438 HydrophobicContact CE3-CG 4.21Å; W304-K438 HydrophobicContact CG-CB 4.37Å; W304-K438 HydrophobicContact CG-CD 3.83Å; W304-K438 HydrophobicContact CG-CG 3.87Å; W304-K438 HydrophobicContact CH2-CB 4.31Å; W304-K438 HydrophobicContact CZ2-CB 3.81Å; W304-A441 HydrophobicContact CH2-CB 4.4Å; W304-A441 HydrophobicContact CZ3-CB 3.96Å
305	I	94.8	Very high	95.8	Very high	129 Å²	129	35.1 Å²	35.1	66%	0.662	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-63.4	-25.4	-179.1	-166.8	64.3	0	0	0	113.4	S303	S303-I305 VanDerWaalsContact C-N 3.26Å; S303-I305 PolarHBondContact O-N 3Å
306	N	95.8	Very high	95.8	Very high	114 Å²	114	42 Å²	42	61%	0.61	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-100.5	1.3	-177.6	-68.8	-35.1	0	0	0	112.8	P302 S303 W304	P302-N306 HydrophobicContact CB-CB 3.91Å; P302-N306 HydrophobicContact CG-CB 4.5Å; S303-N306 WeakPolarHBondContact O-CA 3.43Å; S303-N306 WeakPolarHBondContact O-CB 3.27Å; S303-N306 PolarHBondContact O-N 3.15Å; S303-N306 PolarHBondContact OG-ND2 3.25Å; S303-N306 VanDerWaalsContact OG-ND2 3.12Å; W304-N306 PolarHBondContact O-N 3.37Å
307	K	98.1	Very high	95.8	Very high	10 Å²	10	42 Å²	42	4%	0.043	22%	0.223	C	C	.	.	S	Bend	trans	-75.3	146	174.1	-67.2	-176.2	-171	-54.3	0	110.6	T300 P302 S303 W304 E309 F365 K366 K368 D389	T300-K307 PolarHBondContact O-NZ 2.9Å; P302-K307 HydrophobicContact CG-CG 4.08Å; P302-K307 WeakPolarHBondContact O-CE 3.32Å; P302-K307 PolarHBondContact O-NZ 3.11Å; S303-K307 PolarHBondContact O-N 3.01Å; W304-K307 HydrophobicContact CE3-CD 4.34Å; W304-K307 WeakPolarHBondContact O-CB 3.31Å; W304-K307 PolarHBondContact O-N 3.12Å; K307-E309 PolarHBondContact O-N 2.97Å; K307-F365 PolarHBondContact NZ-O 2.73Å; K307-K366 CarbonylContact C-O 3.51Å; K307-K366 VanDerWaalsContact CA-O 3.32Å; K307-K366 WeakPolarHBondContact CA-O 3.16Å; K307-K366 WeakPolarHBondContact CB-O 3.25Å; K307-K368 HydrophobicContact CB-CB 4.48Å; K307-K368 HydrophobicContact CB-CG 3.51Å; K307-K368 HydrophobicContact CD-CG 4.3Å; K307-D389 WeakPolarHBondContact CE-OD1 3.43Å; K307-D389 WeakPolarHBondContact CE-OD2 3.02Å; K307-D389 IonicContact NZ-OD1 3.85Å; K307-D389 PolarHBondContact NZ-OD1 3.49Å; K307-D389 IonicContact NZ-OD2 2.76Å; K307-D389 PolarHBondContact NZ-OD2 2.91Å; K307-D389 VanDerWaalsContact NZ-OD2 3.11Å
308	T	98.3	Very high	95.8	Very high	61 Å²	61	42.7 Å²	42.7	37%	0.374	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	121.4	171.6	-57.4	0	0	0	0	110	K310 K366 Y367 K368	T308-K310 HydrophobicContact CG2-CB 4.21Å; T308-K310 HydrophobicContact CG2-CD 4.37Å; T308-K310 HydrophobicContact CG2-CG 4.09Å; T308-K310 PolarHBondContact O-N 3Å; T308-K366 PolarHBondContact N-O 3.36Å; T308-Y367 HydrophobicContact CG2-CD1 3.77Å; T308-Y367 HydrophobicContact CG2-CE1 3.74Å; T308-Y367 WeakPolarHBondContact O-CA 3.32Å; T308-K368 PolarHBondContact O-N 2.83Å
309	E	97.6	Very high	95.9	Very high	72 Å²	72	44.2 Å²	44.2	34%	0.336	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	58.5	-177.7	-164.7	178.4	-96.6	0	0	112.6	K307 K368 Y369 K431	K307-E309 PolarHBondContact O-N 2.97Å; E309-K368 HydrophobicContact CB-CD 4.3Å; E309-K368 HydrophobicContact CG-CD 4.08Å; E309-K368 IonicContact OE1-NZ 3.4Å; E309-K368 PolarHBondContact OE1-NZ 3.35Å; E309-Y369 HydrophobicContact CG-CE2 3.94Å; E309-Y369 VanDerWaalsContact CG-OH 3.31Å; E309-Y369 WeakPolarHBondContact CG-OH 3.34Å; E309-K431 HydrophobicContact CG-CD 4.42Å; E309-K431 HydrophobicContact CG-CG 3.86Å; E309-K431 PolarHBondContact O-NZ 3.16Å; E309-K431 WeakPolarHBondContact OE2-CE 3.49Å; E309-K431 IonicContact OE2-NZ 2.93Å; E309-K431 PolarHBondContact OE2-NZ 3.38Å
310	K	98.3	Very high	96	Very high	68 Å²	68	47.1 Å²	47.1	30%	0.296	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152	174.2	-65.9	-172.6	-178.1	-173.8	0	110.2	T308 P333 L335 Y367 Y369	T308-K310 HydrophobicContact CG2-CB 4.21Å; T308-K310 HydrophobicContact CG2-CD 4.37Å; T308-K310 HydrophobicContact CG2-CG 4.09Å; T308-K310 PolarHBondContact O-N 3Å; K310-P333 WeakPolarHBondContact CE-O 3.38Å; K310-P333 PolarHBondContact NZ-O 3.38Å; K310-L335 WeakPolarHBondContact CA-O 3.23Å; K310-Y367 HydrophobicContact CB-CD1 4.19Å; K310-Y369 PolarHBondContact O-N 2.98Å
311	A	98.8	Very high	96.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	147.7	164.4	0	0	0	0	0	110.4	L335 L336 D337 Y369 V371 L393 V427	A311-L335 PolarHBondContact N-O 3.28Å; A311-L336 HydrophobicContact CB-CB 4.48Å; A311-L336 HydrophobicContact CB-CD1 3.49Å; A311-L336 VanDerWaalsContact CB-CD1 3.49Å; A311-L336 CarbonylContact O-C 3.52Å; A311-L336 WeakPolarHBondContact O-CA 3.42Å; A311-D337 PolarHBondContact O-N 3.15Å; A311-Y369 CarbonylContact C-O 3.58Å; A311-Y369 VanDerWaalsContact CA-O 3.26Å; A311-Y369 WeakPolarHBondContact CA-O 3.02Å; A311-V371 HydrophobicContact CB-CG2 3.83Å; A311-L393 HydrophobicContact CB-CD1 4.32Å; A311-V427 HydrophobicContact CB-CG1 4.23Å; A311-V427 HydrophobicContact CB-CG2 3.58Å
312	F	98.8	Very high	96.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	140.6	-171.4	-177	-97.5	0	0	0	112.8	R314 D337 M359 F364 Y367 Y369 V371	F312-R314 HydrophobicContact CE1-CB 4.47Å; F312-R314 HydrophobicContact CE1-CG 3.94Å; F312-R314 HydrophobicContact CE2-CG 4.08Å; F312-R314 HydrophobicContact CZ-CB 4.35Å; F312-R314 HydrophobicContact CZ-CG 3.38Å; F312-D337 WeakPolarHBondContact CA-O 3.21Å; F312-D337 HydrophobicContact CD2-CB 4.2Å; F312-D337 WeakPolarHBondContact CD2-O 3.38Å; F312-M359 HydrophobicContact CE1-SD 4.19Å; F312-M359 HydrophobicContact CE2-CE 3.99Å; F312-M359 HydrophobicContact CE2-SD 3.91Å; F312-M359 HydrophobicContact CZ-CE 3.95Å; F312-M359 HydrophobicContact CZ-SD 3.36Å; F312-M359 WeakPolarHBondContact CZ-SD 3.27Å; F312-F364 HydrophobicContact CD1-CB 4.21Å; F312-F364 HydrophobicContact CD1-CD2 4.22Å; F312-F364 HydrophobicContact CD1-CG 4.08Å; F312-F364 HydrophobicContact CE1-CB 4Å; F312-F364 AromaticContact CE1-CD1 3.53Å; F312-F364 HydrophobicContact CE1-CD1 3.53Å; F312-F364 AromaticContact CE1-CD2 3.78Å; F312-F364 HydrophobicContact CE1-CD2 3.78Å; F312-F364 AromaticContact CE1-CE1 3.88Å; F312-F364 HydrophobicContact CE1-CE1 3.88Å; F312-F364 HydrophobicContact CE1-CE2 4.1Å; F312-F364 AromaticContact CE1-CG 3.49Å; F312-F364 HydrophobicContact CE1-CG 3.49Å; F312-F364 VanDerWaalsContact CE1-CG 3.49Å; F312-F364 HydrophobicContact CE1-CZ 4.16Å; F312-F364 HydrophobicContact CZ-CD1 4.13Å; F312-F364 HydrophobicContact CZ-CE1 4.31Å; F312-F364 HydrophobicContact CZ-CG 4.49Å; F312-Y367 HydrophobicContact CB-CD1 3.88Å; F312-Y367 HydrophobicContact CB-CD2 3.94Å; F312-Y367 HydrophobicContact CB-CG 3.54Å; F312-Y367 HydrophobicContact CD1-CD2 4.14Å; F312-Y367 AromaticContact CD2-CD1 3.95Å; F312-Y367 HydrophobicContact CD2-CD1 3.95Å; F312-Y367 AromaticContact CD2-CD2 3.51Å; F312-Y367 HydrophobicContact CD2-CD2 3.51Å; F312-Y367 AromaticContact CD2-CE1 3.81Å; F312-Y367 HydrophobicContact CD2-CE1 3.81Å; F312-Y367 AromaticContact CD2-CE2 3.36Å; F312-Y367 HydrophobicContact CD2-CE2 3.36Å; F312-Y367 AromaticContact CD2-CG 3.82Å; F312-Y367 HydrophobicContact CD2-CG 3.82Å; F312-Y367 AromaticContact CD2-CZ 3.52Å; F312-Y367 HydrophobicContact CE2-CD2 4.01Å; F312-Y367 AromaticContact CE2-CE2 3.49Å; F312-Y367 HydrophobicContact CE2-CE2 3.49Å; F312-Y367 VanDerWaalsContact CE2-CE2 3.49Å; F312-Y367 AromaticContact CE2-CZ 3.79Å; F312-Y367 HydrophobicContact CG-CD1 4.19Å; F312-Y367 AromaticContact CG-CD2 3.57Å; F312-Y367 HydrophobicContact CG-CD2 3.57Å; F312-Y367 HydrophobicContact CG-CE1 4.5Å; F312-Y367 AromaticContact CG-CE2 3.93Å; F312-Y367 HydrophobicContact CG-CE2 3.93Å; F312-Y367 AromaticContact CG-CG 3.72Å; F312-Y367 HydrophobicContact CG-CG 3.72Å; F312-Y367 HydrophobicContact CZ-CE2 4.18Å; F312-Y369 PolarHBondContact N-O 3.44Å; F312-V371 PolarHBondContact O-N 3.44Å
313	F	98.8	Very high	97.1	Very high	5 Å²	5	45.9 Å²	45.9	2%	0.022	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	138.8	170	177.1	-95	0	0	0	112.3	R322 L325 D337 A338 G339 I340 V371	F313-R322 HydrophobicContact CE1-CB 4.46Å; F313-R322 HydrophobicContact CE1-CG 4.45Å; F313-R322 HydrophobicContact CZ-CG 4.04Å; F313-L325 HydrophobicContact CB-CD2 3.57Å; F313-L325 HydrophobicContact CD1-CD2 3.72Å; F313-L325 HydrophobicContact CD2-CD2 4.06Å; F313-L325 HydrophobicContact CE1-CD2 4.42Å; F313-L325 HydrophobicContact CG-CD2 3.51Å; F313-D337 PolarHBondContact N-O 2.89Å; F313-A338 HydrophobicContact CB-CB 3.95Å; F313-A338 HydrophobicContact CD1-CB 4.49Å; F313-A338 CarbonylContact O-C 3.49Å; F313-A338 VanDerWaalsContact O-CA 3.3Å; F313-A338 WeakPolarHBondContact O-CA 3.39Å; F313-G339 PolarHBondContact O-N 3.12Å; F313-I340 HydrophobicContact CE1-CD1 4.41Å; F313-V371 HydrophobicContact CB-CB 4.47Å; F313-V371 WeakPolarHBondContact CD2-O 3.37Å
314	R	98.2	Very high	97.4	Very high	27 Å²	27	46.3 Å²	46.3	10%	0.102	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.5	163	-66.9	-67.6	-178.5	-89.4	3.3	109.4	F312 D337 G339 T341 M359 F364 R381	F312-R314 HydrophobicContact CE1-CB 4.47Å; F312-R314 HydrophobicContact CE1-CG 3.94Å; F312-R314 HydrophobicContact CE2-CG 4.08Å; F312-R314 HydrophobicContact CZ-CB 4.35Å; F312-R314 HydrophobicContact CZ-CG 3.38Å; R314-D337 IonicContact CZ-OD1 3.67Å; R314-D337 IonicContact CZ-OD2 2.95Å; R314-D337 PolarHBondContact NH1-O 3.39Å; R314-D337 IonicContact NH1-OD1 2.66Å; R314-D337 PolarHBondContact NH1-OD1 2.88Å; R314-D337 IonicContact NH1-OD2 3.8Å; R314-D337 IonicContact NH2-OD1 3.58Å; R314-D337 PolarHBondContact NH2-OD1 3.49Å; R314-D337 IonicContact NH2-OD2 3.3Å; R314-D337 PolarHBondContact NH2-OD2 3.06Å; R314-G339 WeakPolarHBondContact CA-O 3.49Å; R314-T341 HydrophobicContact CB-CG2 4Å; R314-M359 HydrophobicContact CG-CB 4.49Å; R314-F364 HydrophobicContact CB-CE1 4.24Å; R314-F364 HydrophobicContact CB-CE2 4.47Å; R314-F364 HydrophobicContact CB-CZ 3.75Å; R314-F364 HydrophobicContact CG-CZ 4.48Å; R314-R381 PolarHBondContact O-NH1 2.87Å; R314-R381 PolarHBondContact O-NH2 2.75Å
315	G	96.9	Very high	97.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	-179.7	-179.5	0	0	0	0	0	113.1	G339 I340 T341	G315-G339 PolarHBondContact N-O 3.18Å; G315-I340 CarbonylContact O-C 3.44Å; G315-I340 VanDerWaalsContact O-CA 3.22Å; G315-I340 WeakPolarHBondContact O-CA 3.45Å; G315-T341 PolarHBondContact O-N 3.07Å; G315-T341 PolarHBondContact O-OG1 2.85Å
316	R	96.6	Very high	97.7	Very high	154 Å²	154	39.3 Å²	39.3	58%	0.581	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	162.2	172.1	-69.5	-172.9	172.8	-171	-2.4	111.5	S318 R322	R316-S318 PolarHBondContact O-N 3.41Å; R316-R322 WeakPolarHBondContact O-CD 3.49Å; R316-R322 PolarHBondContact O-NH1 3.43Å; R316-R322 VanDerWaalsContact O-NH1 3.09Å
317	D	97.1	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-71	30.5	176.8	67.3	-28.6	0	0	0	114.2	R319 L323 I340 G342 Y343 F344 F345 F346	D317-R319 PolarHBondContact O-N 2.98Å; D317-L323 HydrophobicContact CB-CD2 3.96Å; D317-I340 HydrophobicContact CB-CG2 4.01Å; D317-G342 PolarHBondContact N-O 2.86Å; D317-Y343 HydrophobicContact CB-CD1 3.85Å; D317-Y343 HydrophobicContact CB-CE1 4.29Å; D317-Y343 VanDerWaalsContact CG-CA 3.48Å; D317-Y343 VanDerWaalsContact OD2-CA 3.26Å; D317-Y343 WeakPolarHBondContact OD2-CA 3.37Å; D317-F344 VanDerWaalsContact CG-N 3.29Å; D317-F344 PolarHBondContact OD1-N 3.4Å; D317-F344 PolarHBondContact OD2-N 3.01Å; D317-F345 PolarHBondContact OD1-N 3.49Å; D317-F345 PolarHBondContact OD2-N 3.11Å; D317-F346 HydrophobicContact CB-CD2 4.11Å; D317-F346 WeakPolarHBondContact O-CD2 3.22Å; D317-F346 WeakPolarHBondContact O-CE2 3.29Å; D317-F346 PolarHBondContact OD2-N 3.04Å
318	S	95.7	Very high	97.8	Very high	21 Å²	21	38.3 Å²	38.3	15%	0.147	18%	0.176	C	C	.	.			trans	-71.6	12.5	-173.2	60.3	0	0	0	0	115.3	R316 R322 G375	R316-S318 PolarHBondContact O-N 3.41Å; S318-R322 VanDerWaalsContact OG-CZ 3.29Å; S318-R322 PolarHBondContact OG-NH1 3.49Å; S318-G375 CarbonylContact O-C 3.57Å; S318-G375 WeakPolarHBondContact OG-CA 3.16Å
319	R	96.1	Very high	97.8	Very high	47 Å²	47	35.9 Å²	35.9	18%	0.177	16%	0.161	C	C	.	.	S	Bend	trans	-168	143.3	-175.7	-106.3	-89.2	-178.9	-176.4	-3.7	110.6	D317 E321 R322 G375	D317-R319 PolarHBondContact O-N 2.98Å; R319-E321 VanDerWaalsContact C-N 3.31Å; R319-E321 WeakPolarHBondContact CD-OE2 3.36Å; R319-E321 IonicContact CZ-OE1 3.45Å; R319-E321 IonicContact CZ-OE2 3.99Å; R319-E321 IonicContact NE-OE2 3.83Å; R319-E321 VanDerWaalsContact NH1-CD 3.25Å; R319-E321 IonicContact NH1-OE1 2.78Å; R319-E321 PolarHBondContact NH1-OE1 2.93Å; R319-E321 IonicContact NH1-OE2 2.71Å; R319-E321 PolarHBondContact NH1-OE2 3.42Å; R319-E321 PolarHBondContact O-N 3.32Å; R319-R322 HydrophobicContact CB-CG 4.11Å; R319-R322 WeakPolarHBondContact O-CB 3.38Å; R319-R322 PolarHBondContact O-N 3.25Å; R319-R322 VanDerWaalsContact O-N 3.12Å; R319-G375 WeakPolarHBondContact CG-O 3.42Å
320	E	97.1	Very high	97.9	Very high	117 Å²	117	37.6 Å²	37.6	55%	0.547	17%	0.169	S	C	.	.	H	α-helix	trans	-60.5	-39	176.2	-68.8	-175.9	-179.7	0	0	112.4	R322 L323 Q324 F346	E320-R322 PolarHBondContact O-N 3.3Å; E320-R322 VanDerWaalsContact O-N 3.14Å; E320-L323 WeakPolarHBondContact O-CA 3.41Å; E320-L323 VanDerWaalsContact O-CB 3.27Å; E320-L323 WeakPolarHBondContact O-CB 3.4Å; E320-L323 PolarHBondContact O-N 3.47Å; E320-Q324 PolarHBondContact O-N 2.86Å; E320-F346 HydrophobicContact CG-CE1 3.67Å; E320-F346 HydrophobicContact CG-CZ 3.56Å
321	E	98.1	Very high	97.9	Very high	22 Å²	22	41 Å²	41	10%	0.103	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-25.8	178.8	-67.2	91.3	152.3	0	0	112.3	R319 L323 L325 V373 L420	R319-E321 VanDerWaalsContact C-N 3.31Å; R319-E321 WeakPolarHBondContact CD-OE2 3.36Å; R319-E321 IonicContact CZ-OE1 3.45Å; R319-E321 IonicContact CZ-OE2 3.99Å; R319-E321 IonicContact NE-OE2 3.83Å; R319-E321 VanDerWaalsContact NH1-CD 3.25Å; R319-E321 IonicContact NH1-OE1 2.78Å; R319-E321 PolarHBondContact NH1-OE1 2.93Å; R319-E321 IonicContact NH1-OE2 2.71Å; R319-E321 PolarHBondContact NH1-OE2 3.42Å; R319-E321 PolarHBondContact O-N 3.32Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-L325 WeakPolarHBondContact O-CB 3.01Å; E321-L325 PolarHBondContact O-N 3.26Å; E321-V373 HydrophobicContact CB-CG1 3.93Å; E321-L420 HydrophobicContact CB-CD1 4.21Å; E321-L420 HydrophobicContact CB-CG 4.43Å; E321-L420 WeakPolarHBondContact O-CD1 3.13Å
322	R	98.4	Very high	97.8	Very high	22 Å²	22	42.4 Å²	42.4	8%	0.083	19%	0.194	C	C	.	.	H	α-helix	trans	-72.3	-29.7	172.8	-63	-178	174	-167.7	0.9	112.4	F313 R316 S318 R319 E320 L325 V326 I340 V373 D374 G375	F313-R322 HydrophobicContact CE1-CB 4.46Å; F313-R322 HydrophobicContact CE1-CG 4.45Å; F313-R322 HydrophobicContact CZ-CG 4.04Å; R316-R322 WeakPolarHBondContact O-CD 3.49Å; R316-R322 PolarHBondContact O-NH1 3.43Å; R316-R322 VanDerWaalsContact O-NH1 3.09Å; S318-R322 VanDerWaalsContact OG-CZ 3.29Å; S318-R322 PolarHBondContact OG-NH1 3.49Å; R319-R322 HydrophobicContact CB-CG 4.11Å; R319-R322 WeakPolarHBondContact O-CB 3.38Å; R319-R322 PolarHBondContact O-N 3.25Å; R319-R322 VanDerWaalsContact O-N 3.12Å; E320-R322 PolarHBondContact O-N 3.3Å; E320-R322 VanDerWaalsContact O-N 3.14Å; R322-L325 WeakPolarHBondContact O-CB 3.19Å; R322-V326 PolarHBondContact O-N 2.93Å; R322-I340 HydrophobicContact CB-CD1 4Å; R322-V373 HydrophobicContact CG-CB 4.15Å; R322-V373 HydrophobicContact CG-CG1 3.73Å; R322-V373 PolarHBondContact NE-O 3.45Å; R322-V373 PolarHBondContact NH2-O 3.27Å; R322-D374 PolarHBondContact NE-O 3.19Å; R322-D374 VanDerWaalsContact NH2-C 3.3Å; R322-D374 PolarHBondContact NH2-O 3.39Å; R322-G375 VanDerWaalsContact NH2-N 3.17Å
323	L	98.3	Very high	97.8	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-72.1	-44.2	173	-53.6	-176.5	0	0	0	110.7	D317 E320 E321 L325 V326 Q327 I340 Y343 F346 K349 L353	D317-L323 HydrophobicContact CB-CD2 3.96Å; E320-L323 WeakPolarHBondContact O-CA 3.41Å; E320-L323 VanDerWaalsContact O-CB 3.27Å; E320-L323 WeakPolarHBondContact O-CB 3.4Å; E320-L323 PolarHBondContact O-N 3.47Å; E321-L323 VanDerWaalsContact C-N 3.34Å; L323-L325 PolarHBondContact O-N 3.44Å; L323-V326 WeakPolarHBondContact O-CB 3.43Å; L323-V326 PolarHBondContact O-N 3.09Å; L323-Q327 PolarHBondContact O-N 2.92Å; L323-I340 HydrophobicContact CD2-CD1 4.33Å; L323-I340 HydrophobicContact CD2-CG1 3.94Å; L323-Y343 HydrophobicContact CD2-CE1 4Å; L323-F346 HydrophobicContact CD1-CB 3.82Å; L323-F346 HydrophobicContact CD1-CD1 4.04Å; L323-F346 HydrophobicContact CD1-CD2 3.96Å; L323-F346 HydrophobicContact CD1-CG 3.68Å; L323-K349 HydrophobicContact CD1-CB 4.23Å; L323-K349 HydrophobicContact CD1-CG 3.91Å; L323-L353 HydrophobicContact CB-CD1 3.74Å; L323-L353 HydrophobicContact CD2-CD1 3.99Å; L323-L353 HydrophobicContact CG-CD1 4.33Å
324	Q	98.2	Very high	97.7	Very high	68 Å²	68	50.5 Å²	50.5	32%	0.318	24%	0.238	S	C	.	.	H	α-helix	trans	-57.5	-39.7	173	-65.4	172.4	3.7	0	0	111.1	E320 V326 Q327 L328	E320-Q324 PolarHBondContact O-N 2.86Å; Q324-V326 VanDerWaalsContact C-N 3.3Å; Q324-V326 PolarHBondContact O-N 3.27Å; Q324-Q327 PolarHBondContact O-N 2.94Å; Q324-L328 WeakPolarHBondContact O-CG 3.46Å; Q324-L328 PolarHBondContact O-N 3.36Å
325	L	98.3	Very high	97.7	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-37.9	174.9	-175.5	65.4	0	0	0	112.6	F313 E321 R322 L323 S329 L336 A338 V371 V373 L420 L423	F313-L325 HydrophobicContact CB-CD2 3.57Å; F313-L325 HydrophobicContact CD1-CD2 3.72Å; F313-L325 HydrophobicContact CD2-CD2 4.06Å; F313-L325 HydrophobicContact CE1-CD2 4.42Å; F313-L325 HydrophobicContact CG-CD2 3.51Å; E321-L325 WeakPolarHBondContact O-CB 3.01Å; E321-L325 PolarHBondContact O-N 3.26Å; R322-L325 WeakPolarHBondContact O-CB 3.19Å; L323-L325 PolarHBondContact O-N 3.44Å; L325-S329 PolarHBondContact O-N 3.3Å; L325-S329 VanDerWaalsContact O-N 3.08Å; L325-L336 HydrophobicContact CD1-CD1 4.22Å; L325-L336 HydrophobicContact CD1-CD2 3.63Å; L325-L336 HydrophobicContact CG-CD2 4.37Å; L325-L336 WeakPolarHBondContact O-CD2 3.39Å; L325-A338 HydrophobicContact CD1-CB 4.37Å; L325-A338 HydrophobicContact CD2-CB 4.02Å; L325-A338 HydrophobicContact CG-CB 3.63Å; L325-V371 HydrophobicContact CD1-CG1 4.06Å; L325-V371 HydrophobicContact CD2-CB 4.31Å; L325-V371 HydrophobicContact CD2-CG1 4.11Å; L325-V373 HydrophobicContact CD2-CG2 3.94Å; L325-L420 HydrophobicContact CB-CD1 3.87Å; L325-L420 HydrophobicContact CD1-CD1 4.31Å; L325-L423 HydrophobicContact CD1-CD2 3.2Å
326	V	98.4	Very high	97.8	Very high	5 Å²	5	50 Å²	50	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-69.1	-42.7	174.8	175.8	0	0	0	0	111.3	R322 L323 Q324 L328 S329 Q330 I340 L353	R322-V326 PolarHBondContact O-N 2.93Å; L323-V326 WeakPolarHBondContact O-CB 3.43Å; L323-V326 PolarHBondContact O-N 3.09Å; Q324-V326 VanDerWaalsContact C-N 3.3Å; Q324-V326 PolarHBondContact O-N 3.27Å; V326-L328 PolarHBondContact O-N 3.42Å; V326-S329 WeakPolarHBondContact O-CA 3.09Å; V326-S329 WeakPolarHBondContact O-CB 3.2Å; V326-S329 PolarHBondContact O-N 3.39Å; V326-S329 VanDerWaalsContact O-N 3.08Å; V326-Q330 HydrophobicContact CG1-CG 4.47Å; V326-Q330 WeakPolarHBondContact O-CG 3.26Å; V326-Q330 PolarHBondContact O-N 2.02Å; V326-I340 HydrophobicContact CG2-CD1 4.14Å; V326-I340 HydrophobicContact CG2-CG1 3.85Å; V326-L353 HydrophobicContact CG1-CB 4.21Å
327	Q	98.3	Very high	97.9	Very high	66 Å²	66	44.5 Å²	44.5	31%	0.308	22%	0.219	S	C	.	.	H	α-helix	trans	-57.8	-48.9	174.4	-69.2	173.6	-20.4	0	0	111.1	L323 Q324 S329 Q330 E331 E352 L353	L323-Q327 PolarHBondContact O-N 2.92Å; Q324-Q327 PolarHBondContact O-N 2.94Å; Q327-S329 PolarHBondContact O-N 3.42Å; Q327-Q330 PolarHBondContact O-N 2.95Å; Q327-Q330 VanDerWaalsContact O-N 3.09Å; Q327-E331 WeakPolarHBondContact O-CG 3.29Å; Q327-E331 PolarHBondContact O-N 2.83Å; Q327-E352 PolarHBondContact NE2-OE1 3.4Å; Q327-L353 HydrophobicContact CG-CD2 3.45Å; Q327-L353 VanDerWaalsContact CG-CD2 3.45Å
328	L	98.4	Very high	97.9	Very high	37 Å²	37	44.9 Å²	44.9	19%	0.194	22%	0.222	C	C	.	.	H	α-helix	trans	-56	-36.4	174.6	-72.8	173.7	0	0	0	112.4	Q324 V326 N332 L336 L420 L423 L424	Q324-L328 WeakPolarHBondContact O-CG 3.46Å; Q324-L328 PolarHBondContact O-N 3.36Å; V326-L328 PolarHBondContact O-N 3.42Å; L328-N332 VanDerWaalsContact O-CB 3.3Å; L328-N332 WeakPolarHBondContact O-CB 3.32Å; L328-N332 PolarHBondContact O-N 2.75Å; L328-N332 PolarHBondContact O-ND2 3.26Å; L328-N332 VanDerWaalsContact O-ND2 3.1Å; L328-L336 HydrophobicContact CB-CD2 4.06Å; L328-L420 HydrophobicContact CD1-CB 4.17Å; L328-L423 HydrophobicContact CD1-CD2 4.21Å; L328-L424 HydrophobicContact CD2-CD1 4.17Å
329	S	98.5	Very high	98.1	Very high	10 Å²	10	44.1 Å²	44.1	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-71.6	-38.3	177.6	-172.9	0	0	0	0	113	L325 V326 Q327 E331 N332 P333 L336 D337 A338	L325-S329 PolarHBondContact O-N 3.3Å; L325-S329 VanDerWaalsContact O-N 3.08Å; V326-S329 WeakPolarHBondContact O-CA 3.09Å; V326-S329 WeakPolarHBondContact O-CB 3.2Å; V326-S329 PolarHBondContact O-N 3.39Å; V326-S329 VanDerWaalsContact O-N 3.08Å; Q327-S329 PolarHBondContact O-N 3.42Å; S329-E331 VanDerWaalsContact C-N 3.33Å; S329-N332 CarbonylContact O-C 3.58Å; S329-N332 PolarHBondContact O-N 3.37Å; S329-P333 VanDerWaalsContact O-CA 3.3Å; S329-P333 WeakPolarHBondContact O-CA 3.49Å; S329-P333 VanDerWaalsContact O-N 3.09Å; S329-L336 PolarHBondContact OG-O 2.75Å; S329-D337 WeakPolarHBondContact OG-CA 3.33Å; S329-A338 PolarHBondContact OG-N 2.94Å
330	Q	97.9	Very high	98.2	Very high	107 Å²	107	41.9 Å²	41.9	50%	0.5	21%	0.209	S	C	.	.	H	α-helix	trans	-65.9	-37.9	175.7	-70.3	175.6	-14.3	0	0	111.5	V326 Q327 L353	V326-Q330 HydrophobicContact CG1-CG 4.47Å; V326-Q330 WeakPolarHBondContact O-CG 3.26Å; V326-Q330 PolarHBondContact O-N 2.02Å; Q327-Q330 PolarHBondContact O-N 2.95Å; Q327-Q330 VanDerWaalsContact O-N 3.09Å; Q330-L353 PolarHBondContact NE2-O 3.11Å
331	E	98.3	Very high	98.2	Very high	139 Å²	139	37.4 Å²	37.4	65%	0.65	19%	0.19	S	C	*	.	H	α-helix	trans	-76.5	-28.3	177	-67.3	172.6	-178	0	0	113	Q327 S329 P333	Q327-E331 WeakPolarHBondContact O-CG 3.29Å; Q327-E331 PolarHBondContact O-N 2.83Å; S329-E331 VanDerWaalsContact C-N 3.33Å; E331-P333 VanDerWaalsContact C-CD 3.42Å
332	N	98.4	Very high	98.1	Very high	31 Å²	31	37 Å²	37	17%	0.166	19%	0.191	C	C	.	.			trans	-130.3	54.7	-174.7	-57.4	-94.2	0	0	0	113	L328 S329 Q334 L335 L336 L424	L328-N332 VanDerWaalsContact O-CB 3.3Å; L328-N332 WeakPolarHBondContact O-CB 3.32Å; L328-N332 PolarHBondContact O-N 2.75Å; L328-N332 PolarHBondContact O-ND2 3.26Å; L328-N332 VanDerWaalsContact O-ND2 3.1Å; S329-N332 CarbonylContact O-C 3.58Å; S329-N332 PolarHBondContact O-N 3.37Å; N332-Q334 VanDerWaalsContact C-OE1 3.27Å; N332-Q334 PolarHBondContact O-N 3.21Å; N332-L335 PolarHBondContact O-N 2.87Å; N332-L336 PolarHBondContact O-N 3.5Å; N332-L336 VanDerWaalsContact O-N 3.08Å; N332-L424 HydrophobicContact CB-CD1 4.45Å; N332-L424 HydrophobicContact CB-CD2 4.12Å; N332-L424 WeakPolarHBondContact ND2-CD1 3.21Å
333	P	97.9	Very high	98.1	Very high	70 Å²	70	37.1 Å²	37.1	46%	0.455	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18	-172.8	27.4	-36.7	0	0	0	113.6	K310 S329 E331	K310-P333 WeakPolarHBondContact CE-O 3.38Å; K310-P333 PolarHBondContact NZ-O 3.38Å; S329-P333 VanDerWaalsContact O-CA 3.3Å; S329-P333 WeakPolarHBondContact O-CA 3.49Å; S329-P333 VanDerWaalsContact O-N 3.09Å; E331-P333 VanDerWaalsContact C-CD 3.42Å
334	Q	97.3	Very high	98	Very high	105 Å²	105	42.8 Å²	42.8	49%	0.491	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-24.3	174.2	73.4	-68.9	-11.6	0	0	113.4	N332	N332-Q334 VanDerWaalsContact C-OE1 3.27Å; N332-Q334 PolarHBondContact O-N 3.21Å
335	L	98.1	Very high	97.8	Very high	15 Å²	15	44.8 Å²	44.8	8%	0.079	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-32.3	-178.4	-66.2	179.1	0	0	0	113.1	K310 A311 N332 L424 V427 K428 K431	K310-L335 WeakPolarHBondContact CA-O 3.23Å; A311-L335 PolarHBondContact N-O 3.28Å; N332-L335 PolarHBondContact O-N 2.87Å; L335-L424 HydrophobicContact CD1-CD2 4.43Å; L335-V427 HydrophobicContact CB-CG1 4.24Å; L335-V427 HydrophobicContact CD2-CG1 4.47Å; L335-K428 HydrophobicContact CD1-CG 4.11Å; L335-K431 HydrophobicContact CD2-CD 3.83Å
336	L	98.1	Very high	97.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	134.4	-169.3	177.5	66.1	0	0	0	110.6	A311 L325 L328 S329 N332 A338 V371 L423	A311-L336 HydrophobicContact CB-CB 4.48Å; A311-L336 HydrophobicContact CB-CD1 3.49Å; A311-L336 VanDerWaalsContact CB-CD1 3.49Å; A311-L336 CarbonylContact O-C 3.52Å; A311-L336 WeakPolarHBondContact O-CA 3.42Å; L325-L336 HydrophobicContact CD1-CD1 4.22Å; L325-L336 HydrophobicContact CD1-CD2 3.63Å; L325-L336 HydrophobicContact CG-CD2 4.37Å; L325-L336 WeakPolarHBondContact O-CD2 3.39Å; L328-L336 HydrophobicContact CB-CD2 4.06Å; S329-L336 PolarHBondContact OG-O 2.75Å; N332-L336 PolarHBondContact O-N 3.5Å; N332-L336 VanDerWaalsContact O-N 3.08Å; L336-A338 HydrophobicContact CD1-CB 4.11Å; L336-A338 HydrophobicContact CD2-CB 4.21Å; L336-A338 HydrophobicContact CG-CB 4.04Å; L336-V371 HydrophobicContact CD1-CG2 3.96Å; L336-L423 HydrophobicContact CD2-CD2 4.27Å
337	D	98.5	Very high	97.7	Very high	39 Å²	39	52.4 Å²	52.4	21%	0.209	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	93.2	165.7	178.4	12.7	0	0	0	109.4	A311 F312 F313 R314 S329 Y367	A311-D337 PolarHBondContact O-N 3.15Å; F312-D337 WeakPolarHBondContact CA-O 3.21Å; F312-D337 HydrophobicContact CD2-CB 4.2Å; F312-D337 WeakPolarHBondContact CD2-O 3.38Å; F313-D337 PolarHBondContact N-O 2.89Å; R314-D337 IonicContact CZ-OD1 3.67Å; R314-D337 IonicContact CZ-OD2 2.95Å; R314-D337 PolarHBondContact NH1-O 3.39Å; R314-D337 IonicContact NH1-OD1 2.66Å; R314-D337 PolarHBondContact NH1-OD1 2.88Å; R314-D337 IonicContact NH1-OD2 3.8Å; R314-D337 IonicContact NH2-OD1 3.58Å; R314-D337 PolarHBondContact NH2-OD1 3.49Å; R314-D337 IonicContact NH2-OD2 3.3Å; R314-D337 PolarHBondContact NH2-OD2 3.06Å; S329-D337 WeakPolarHBondContact OG-CA 3.33Å; D337-Y367 HydrophobicContact CB-CE1 4.38Å; D337-Y367 PolarHBondContact OD2-OH 3.04Å
338	A	98.6	Very high	97.6	Very high	9 Å²	9	55.4 Å²	55.4	7%	0.074	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.7	177.7	0	0	0	0	0	111.8	F313 L325 S329 L336	F313-A338 HydrophobicContact CB-CB 3.95Å; F313-A338 HydrophobicContact CD1-CB 4.49Å; F313-A338 CarbonylContact O-C 3.49Å; F313-A338 VanDerWaalsContact O-CA 3.3Å; F313-A338 WeakPolarHBondContact O-CA 3.39Å; L325-A338 HydrophobicContact CD1-CB 4.37Å; L325-A338 HydrophobicContact CD2-CB 4.02Å; L325-A338 HydrophobicContact CG-CB 3.63Å; S329-A338 PolarHBondContact OG-N 2.94Å; L336-A338 HydrophobicContact CD1-CB 4.11Å; L336-A338 HydrophobicContact CD2-CB 4.21Å; L336-A338 HydrophobicContact CG-CB 4.04Å
339	G	98.3	Very high	97.5	Very high	4 Å²	4	56.6 Å²	56.6	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	145.2	-179.7	0	0	0	0	0	114.5	F313 R314 G315	F313-G339 PolarHBondContact O-N 3.12Å; R314-G339 WeakPolarHBondContact CA-O 3.49Å; G315-G339 PolarHBondContact N-O 3.18Å
340	I	98.6	Very high	97.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.5	170.4	-61.3	-47.5	0	0	0	109.9	F313 G315 D317 R322 L323 V326 G342 Y343 A356	F313-I340 HydrophobicContact CE1-CD1 4.41Å; G315-I340 CarbonylContact O-C 3.44Å; G315-I340 VanDerWaalsContact O-CA 3.22Å; G315-I340 WeakPolarHBondContact O-CA 3.45Å; D317-I340 HydrophobicContact CB-CG2 4.01Å; R322-I340 HydrophobicContact CB-CD1 4Å; L323-I340 HydrophobicContact CD2-CD1 4.33Å; L323-I340 HydrophobicContact CD2-CG1 3.94Å; V326-I340 HydrophobicContact CG2-CD1 4.14Å; V326-I340 HydrophobicContact CG2-CG1 3.85Å; I340-G342 VanDerWaalsContact CG2-O 3.23Å; I340-G342 WeakPolarHBondContact CG2-O 3.36Å; I340-Y343 HydrophobicContact CB-CE1 4.15Å; I340-Y343 HydrophobicContact CB-CE2 3.85Å; I340-Y343 HydrophobicContact CG1-CE1 4.19Å; I340-Y343 HydrophobicContact CG2-CD1 4.08Å; I340-Y343 HydrophobicContact CG2-CD2 3.8Å; I340-Y343 HydrophobicContact CG2-CE1 3.83Å; I340-Y343 HydrophobicContact CG2-CE2 3.52Å; I340-Y343 HydrophobicContact CG2-CG 4.07Å; I340-A356 PolarHBondContact O-N 3Å
341	T	97.3	Very high	97.4	Very high	23 Å²	23	66.4 Å²	66.4	14%	0.141	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-11.7	-178.1	58.4	0	0	0	0	113.5	R314 G315 K355 L358	R314-T341 HydrophobicContact CB-CG2 4Å; G315-T341 PolarHBondContact O-N 3.07Å; G315-T341 PolarHBondContact O-OG1 2.85Å; T341-K355 WeakPolarHBondContact O-CE 3.03Å; T341-L358 HydrophobicContact CG2-CD2 3.95Å
342	G	97.1	Very high	97.3	Very high	13 Å²	13	64.7 Å²	64.7	13%	0.134	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	142.9	176	0	0	0	0	0	110.9	D317 I340	D317-G342 PolarHBondContact N-O 2.86Å; I340-G342 VanDerWaalsContact CG2-O 3.23Å; I340-G342 WeakPolarHBondContact CG2-O 3.36Å
343	Y	97.1	Very high	97.2	Very high	25 Å²	25	63.7 Å²	63.7	10%	0.098	30%	0.297	C	S	.	.			trans	-106.2	127.4	-178.9	-66.6	-97.1	0	0	0	110.4	D317 L323 I340 F346 K349 E350 L353 G354	D317-Y343 HydrophobicContact CB-CD1 3.85Å; D317-Y343 HydrophobicContact CB-CE1 4.29Å; D317-Y343 VanDerWaalsContact CG-CA 3.48Å; D317-Y343 VanDerWaalsContact OD2-CA 3.26Å; D317-Y343 WeakPolarHBondContact OD2-CA 3.37Å; L323-Y343 HydrophobicContact CD2-CE1 4Å; I340-Y343 HydrophobicContact CB-CE1 4.15Å; I340-Y343 HydrophobicContact CB-CE2 3.85Å; I340-Y343 HydrophobicContact CG1-CE1 4.19Å; I340-Y343 HydrophobicContact CG2-CD1 4.08Å; I340-Y343 HydrophobicContact CG2-CD2 3.8Å; I340-Y343 HydrophobicContact CG2-CE1 3.83Å; I340-Y343 HydrophobicContact CG2-CE2 3.52Å; I340-Y343 HydrophobicContact CG2-CG 4.07Å; Y343-F346 VanDerWaalsContact CD1-O 3.31Å; Y343-F346 WeakPolarHBondContact CD1-O 3.16Å; Y343-K349 HydrophobicContact CE1-CB 4.18Å; Y343-E350 HydrophobicContact CD1-CB 4.24Å; Y343-E350 HydrophobicContact CD2-CB 3.56Å; Y343-E350 HydrophobicContact CD2-CG 3.57Å; Y343-E350 HydrophobicContact CE1-CB 4.46Å; Y343-E350 HydrophobicContact CE2-CB 3.84Å; Y343-E350 HydrophobicContact CE2-CG 3.75Å; Y343-E350 HydrophobicContact CG-CB 3.79Å; Y343-E350 HydrophobicContact CG-CG 4.29Å; Y343-L353 VanDerWaalsContact OH-CB 3.32Å; Y343-L353 WeakPolarHBondContact OH-CB 3.26Å; Y343-G354 VanDerWaalsContact CE2-O 3.22Å; Y343-G354 WeakPolarHBondContact CE2-O 3.39Å; Y343-G354 PolarHBondContact OH-O 3.22Å
344	F	95.6	Very high	97.1	Very high	131 Å²	131	61.9 Å²	61.9	58%	0.575	29%	0.291	S	S	*	.	S	Bend	trans	-132.8	-39.1	176.6	-176	-97.6	0	0	0	111.3	D317 Q347	D317-F344 VanDerWaalsContact CG-N 3.29Å; D317-F344 PolarHBondContact OD1-N 3.4Å; D317-F344 PolarHBondContact OD2-N 3.01Å; F344-Q347 PolarHBondContact O-NE2 2.99Å; F344-Q347 VanDerWaalsContact O-NE2 3.12Å
345	F	95.4	Very high	97.2	Very high	109 Å²	109	63.2 Å²	63.2	48%	0.478	30%	0.295	S	S	.	.	S	Bend	trans	-94.7	-30.3	-174.7	-60.2	-88	0	0	0	113	D317	D317-F345 PolarHBondContact OD1-N 3.49Å; D317-F345 PolarHBondContact OD2-N 3.11Å
346	F	96.7	Very high	97.1	Very high	43 Å²	43	63.6 Å²	63.6	19%	0.189	30%	0.301	C	S	.	.			trans	-130.7	56.6	-178.7	-55.3	-89.1	0	0	0	110.2	D317 E320 L323 Y343 E348 K349	D317-F346 HydrophobicContact CB-CD2 4.11Å; D317-F346 WeakPolarHBondContact O-CD2 3.22Å; D317-F346 WeakPolarHBondContact O-CE2 3.29Å; D317-F346 PolarHBondContact OD2-N 3.04Å; E320-F346 HydrophobicContact CG-CE1 3.67Å; E320-F346 HydrophobicContact CG-CZ 3.56Å; L323-F346 HydrophobicContact CD1-CB 3.82Å; L323-F346 HydrophobicContact CD1-CD1 4.04Å; L323-F346 HydrophobicContact CD1-CD2 3.96Å; L323-F346 HydrophobicContact CD1-CG 3.68Å; Y343-F346 VanDerWaalsContact CD1-O 3.31Å; Y343-F346 WeakPolarHBondContact CD1-O 3.16Å; F346-E348 WeakPolarHBondContact CA-OE2 3.44Å; F346-E348 PolarHBondContact O-N 3.46Å; F346-K349 HydrophobicContact CB-CB 4.23Å; F346-K349 HydrophobicContact CB-CG 4.08Å; F346-K349 WeakPolarHBondContact O-CB 3.44Å; F346-K349 PolarHBondContact O-N 3.16Å
347	Q	96.9	Very high	97	Very high	123 Å²	123	72.5 Å²	72.5	58%	0.575	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-59.4	-31.7	-174.1	-64.5	176.8	34.7	0	0	112.7	F344 K349 E350	F344-Q347 PolarHBondContact O-NE2 2.99Å; F344-Q347 VanDerWaalsContact O-NE2 3.12Å; Q347-K349 PolarHBondContact O-N 3.2Å; Q347-E350 WeakPolarHBondContact O-CB 3.23Å; Q347-E350 PolarHBondContact O-N 2.86Å
348	E	96.6	Very high	96.9	Very high	128 Å²	128	77.7 Å²	77.7	60%	0.598	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-62.2	-24	175.8	72.8	-67	161.4	0	0	113.3	F346	F346-E348 WeakPolarHBondContact CA-OE2 3.44Å; F346-E348 PolarHBondContact O-N 3.46Å
349	K	97.3	Very high	96.7	Very high	63 Å²	63	80.1 Å²	80.1	27%	0.274	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-82.6	-12.1	-179.7	-67	-74.3	176.7	-178.4	0	113.9	L323 Y343 F346 Q347 R351 E352 L353	L323-K349 HydrophobicContact CD1-CB 4.23Å; L323-K349 HydrophobicContact CD1-CG 3.91Å; Y343-K349 HydrophobicContact CE1-CB 4.18Å; F346-K349 HydrophobicContact CB-CB 4.23Å; F346-K349 HydrophobicContact CB-CG 4.08Å; F346-K349 WeakPolarHBondContact O-CB 3.44Å; F346-K349 PolarHBondContact O-N 3.16Å; Q347-K349 PolarHBondContact O-N 3.2Å; K349-R351 VanDerWaalsContact C-N 3.29Å; K349-R351 PolarHBondContact O-N 3.25Å; K349-E352 WeakPolarHBondContact CD-OE2 3.26Å; K349-E352 IonicContact NZ-OE1 3.85Å; K349-E352 IonicContact NZ-OE2 3.06Å; K349-E352 PolarHBondContact NZ-OE2 3.07Å; K349-E352 PolarHBondContact O-N 3.47Å; K349-E352 VanDerWaalsContact O-N 3.17Å; K349-L353 HydrophobicContact CB-CD1 4.28Å; K349-L353 PolarHBondContact O-N 3.36Å
350	E	96.9	Very high	96.6	Very high	75 Å²	75	82 Å²	82	35%	0.35	40%	0.396	S	S	.	.	H	α-helix	trans	-60.9	-37.5	-179.2	-176.8	166.6	-165.1	0	0	112.5	Y343 Q347 E352 G354	Y343-E350 HydrophobicContact CD1-CB 4.24Å; Y343-E350 HydrophobicContact CD2-CB 3.56Å; Y343-E350 HydrophobicContact CD2-CG 3.57Å; Y343-E350 HydrophobicContact CE1-CB 4.46Å; Y343-E350 HydrophobicContact CE2-CB 3.84Å; Y343-E350 HydrophobicContact CE2-CG 3.75Å; Y343-E350 HydrophobicContact CG-CB 3.79Å; Y343-E350 HydrophobicContact CG-CG 4.29Å; Q347-E350 WeakPolarHBondContact O-CB 3.23Å; Q347-E350 PolarHBondContact O-N 2.86Å; E350-E352 VanDerWaalsContact C-N 3.32Å; E350-E352 PolarHBondContact O-N 2.85Å; E350-G354 WeakPolarHBondContact O-CA 3.47Å; E350-G354 PolarHBondContact O-N 3.31Å
351	R	95.8	Very high	96.5	Very high	247 Å²	247	83.1 Å²	83.1	93%	0.932	40%	0.401	S	S	*	.	H	α-helix	trans	-67.3	-33.8	178.8	-68.3	-176.3	-179.7	177.1	0.5	112.8	K349	K349-R351 VanDerWaalsContact C-N 3.29Å; K349-R351 PolarHBondContact O-N 3.25Å
352	E	96.3	Very high	96.5	Very high	103 Å²	103	84.4 Å²	84.4	48%	0.481	41%	0.405	S	S	.	.	H	α-helix	trans	-80.3	-48.5	-178.3	-176.7	-167.9	143.4	0	0	111	Q327 K349 E350	Q327-E352 PolarHBondContact NE2-OE1 3.4Å; K349-E352 WeakPolarHBondContact CD-OE2 3.26Å; K349-E352 IonicContact NZ-OE1 3.85Å; K349-E352 IonicContact NZ-OE2 3.06Å; K349-E352 PolarHBondContact NZ-OE2 3.07Å; K349-E352 PolarHBondContact O-N 3.47Å; K349-E352 VanDerWaalsContact O-N 3.17Å; E350-E352 VanDerWaalsContact C-N 3.32Å; E350-E352 PolarHBondContact O-N 2.85Å
353	L	96.9	Very high	96.5	Very high	10 Å²	10	86.7 Å²	86.7	5%	0.052	41%	0.414	C	S	.	.	H	α-helix	trans	-98.6	-14.1	-169.1	-60.4	-179.1	0	0	0	113.7	L323 V326 Q327 Q330 Y343 K349	L323-L353 HydrophobicContact CB-CD1 3.74Å; L323-L353 HydrophobicContact CD2-CD1 3.99Å; L323-L353 HydrophobicContact CG-CD1 4.33Å; V326-L353 HydrophobicContact CG1-CB 4.21Å; Q327-L353 HydrophobicContact CG-CD2 3.45Å; Q327-L353 VanDerWaalsContact CG-CD2 3.45Å; Q330-L353 PolarHBondContact NE2-O 3.11Å; Y343-L353 VanDerWaalsContact OH-CB 3.32Å; Y343-L353 WeakPolarHBondContact OH-CB 3.26Å; K349-L353 HydrophobicContact CB-CD1 4.28Å; K349-L353 PolarHBondContact O-N 3.36Å
354	G	96.9	Very high	96.5	Very high	32 Å²	32	86 Å²	86	33%	0.33	41%	0.412	S	S	.	.			trans	69.8	173.4	-179.1	0	0	0	0	0	113.5	Y343 E350	Y343-G354 VanDerWaalsContact CE2-O 3.22Å; Y343-G354 WeakPolarHBondContact CE2-O 3.39Å; Y343-G354 PolarHBondContact OH-O 3.22Å; E350-G354 WeakPolarHBondContact O-CA 3.47Å; E350-G354 PolarHBondContact O-N 3.31Å
355	K	97.4	Very high	96.6	Very high	133 Å²	133	79.8 Å²	79.8	58%	0.578	38%	0.384	S	S	*	.			trans	-112.9	121.7	179.7	-172.2	176.8	-175.3	170.6	0	110.6	T341	T341-K355 WeakPolarHBondContact O-CE 3.03Å
356	A	97.4	Very high	96.7	Very high	24 Å²	24	79 Å²	79	20%	0.198	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-79.7	149.5	175.8	0	0	0	0	0	111.5	I340	I340-A356 PolarHBondContact O-N 3Å
357	K	96.4	Very high	96.8	Very high	188 Å²	188	78.5 Å²	78.5	82%	0.817	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-66.9	142.9	174.2	-66.2	-177.6	180	179.4	0	110.4
358	L	95.5	Very high	96.9	Very high	148 Å²	148	73.1 Å²	73.1	78%	0.775	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-61	140	168	-71.2	169.9	0	0	0	109.4	T341	T341-L358 HydrophobicContact CG2-CD2 3.95Å
359	M	95.3	Very high	97	Very high	59 Å²	59	67 Å²	67	29%	0.291	32%	0.324	S	S	.	.			trans	-125.4	137.9	175.9	-179.7	174.7	-64.2	0	0	107.9	F312 R314 D363 F364 Y367	F312-M359 HydrophobicContact CE1-SD 4.19Å; F312-M359 HydrophobicContact CE2-CE 3.99Å; F312-M359 HydrophobicContact CE2-SD 3.91Å; F312-M359 HydrophobicContact CZ-CE 3.95Å; F312-M359 HydrophobicContact CZ-SD 3.36Å; F312-M359 WeakPolarHBondContact CZ-SD 3.27Å; R314-M359 HydrophobicContact CG-CB 4.49Å; M359-D363 HydrophobicContact CG-CB 3.56Å; M359-D363 HydrophobicContact SD-CB 3.77Å; M359-F364 HydrophobicContact CB-CD1 4.49Å; M359-F364 HydrophobicContact CB-CE1 4.03Å; M359-F364 HydrophobicContact CG-CD1 4.17Å; M359-F364 HydrophobicContact CG-CE1 4.2Å; M359-F364 HydrophobicContact SD-CD1 4.24Å; M359-Y367 HydrophobicContact CE-CE2 4.45Å; M359-Y367 HydrophobicContact SD-CE2 4.29Å
360	G	95.9	Very high	97.1	Very high	44 Å²	44	64.1 Å²	64.1	45%	0.454	31%	0.311	S	S	.	.			trans	-58.8	141.7	175	0	0	0	0	0	110.1	F362 D363 F364	G360-F362 VanDerWaalsContact C-N 3.3Å; G360-F362 PolarHBondContact O-N 3.22Å; G360-D363 WeakPolarHBondContact O-CB 3.35Å; G360-D363 PolarHBondContact O-N 2.93Å; G360-F364 WeakPolarHBondContact O-CD1 3.25Å
361	F	96	Very high	97.2	Very high	24 Å²	24	60.6 Å²	60.6	11%	0.105	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-59.5	-40.5	-172.6	-177.9	-107.5	0	0	0	112.7	N291 V296 D363 F364 F365 R381 Y384 L385	N291-F361 HydrophobicContact CB-CD1 4.34Å; V296-F361 HydrophobicContact CG1-CE1 4.43Å; V296-F361 HydrophobicContact CG2-CD1 4.13Å; V296-F361 HydrophobicContact CG2-CE1 3.69Å; F361-D363 PolarHBondContact O-N 3.17Å; F361-F364 AromaticContact CD2-CD2 3.99Å; F361-F364 HydrophobicContact CD2-CD2 3.99Å; F361-F364 HydrophobicContact CD2-CE2 4.09Å; F361-F364 HydrophobicContact CD2-CG 4.28Å; F361-F364 HydrophobicContact CD2-CZ 4.45Å; F361-F364 HydrophobicContact CE2-CD2 4Å; F361-F364 HydrophobicContact CE2-CE2 4.31Å; F361-F364 WeakPolarHBondContact O-CB 3.45Å; F361-F364 WeakPolarHBondContact O-CD1 3.29Å; F361-F364 WeakPolarHBondContact O-CG 3.15Å; F361-F364 PolarHBondContact O-N 2.72Å; F361-F365 HydrophobicContact CD1-CE2 4.18Å; F361-F365 HydrophobicContact CD1-CZ 4.47Å; F361-F365 AromaticContact CE1-CE2 3.7Å; F361-F365 HydrophobicContact CE1-CE2 3.7Å; F361-F365 AromaticContact CE1-CZ 3.58Å; F361-F365 HydrophobicContact CE1-CZ 3.58Å; F361-F365 HydrophobicContact CZ-CE2 4.21Å; F361-F365 AromaticContact CZ-CZ 3.7Å; F361-F365 HydrophobicContact CZ-CZ 3.7Å; F361-R381 HydrophobicContact CE2-CG 3.65Å; F361-R381 HydrophobicContact CZ-CG 4.3Å; F361-Y384 HydrophobicContact CE1-CG 4.4Å; F361-Y384 HydrophobicContact CZ-CG 4.37Å; F361-L385 HydrophobicContact CE2-CD2 4.04Å; F361-L385 HydrophobicContact CZ-CD2 4.18Å
362	F	96.4	Very high	97.3	Very high	50 Å²	50	49 Å²	49	22%	0.219	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63	-25.3	177	-57.5	-31.7	0	0	0	113.9	N291 V296 N299 G360 F364 F365	N291-F362 HydrophobicContact CB-CE1 4.4Å; N291-F362 VanDerWaalsContact OD1-CZ 3.27Å; N291-F362 WeakPolarHBondContact OD1-CZ 3.44Å; V296-F362 HydrophobicContact CG2-CE1 3.97Å; N299-F362 HydrophobicContact CB-CB 3.98Å; N299-F362 HydrophobicContact CB-CD1 3.52Å; N299-F362 HydrophobicContact CB-CD2 3.67Å; N299-F362 HydrophobicContact CB-CE1 3.83Å; N299-F362 HydrophobicContact CB-CE2 3.96Å; N299-F362 HydrophobicContact CB-CG 3.44Å; N299-F362 VanDerWaalsContact CB-CG 3.44Å; N299-F362 HydrophobicContact CB-CZ 4.04Å; G360-F362 VanDerWaalsContact C-N 3.3Å; G360-F362 PolarHBondContact O-N 3.22Å; F362-F364 PolarHBondContact O-N 3.08Å; F362-F365 HydrophobicContact CD1-CE2 4.45Å; F362-F365 WeakPolarHBondContact O-CD2 3.15Å; F362-F365 PolarHBondContact O-N 3.15Å
363	D	97.3	Very high	97.4	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-72.1	-15.4	176.3	-71.1	-27.8	0	0	0	112.5	M359 G360 F361 F365 K366	M359-D363 HydrophobicContact CG-CB 3.56Å; M359-D363 HydrophobicContact SD-CB 3.77Å; G360-D363 WeakPolarHBondContact O-CB 3.35Å; G360-D363 PolarHBondContact O-N 2.93Å; F361-D363 PolarHBondContact O-N 3.17Å; D363-F365 PolarHBondContact O-N 3.04Å; D363-K366 HydrophobicContact CB-CD 4.2Å; D363-K366 VanDerWaalsContact O-CB 3.27Å; D363-K366 WeakPolarHBondContact O-CB 3.34Å; D363-K366 WeakPolarHBondContact O-CG 3.36Å; D363-K366 PolarHBondContact O-N 3.18Å; D363-K366 VanDerWaalsContact O-N 3.1Å; D363-K366 WeakPolarHBondContact OD1-CE 3.31Å; D363-K366 IonicContact OD1-NZ 3.59Å; D363-K366 PolarHBondContact OD1-NZ 3.29Å; D363-K366 IonicContact OD2-NZ 3.63Å
364	F	97.9	Very high	97.5	Very high	10 Å²	10	43.7 Å²	43.7	4%	0.044	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-60.3	-37.8	174.7	-71.7	27.8	0	0	0	109.6	F312 R314 M359 G360 F361 F362 K366 Y367 Q370 L385	F312-F364 HydrophobicContact CD1-CB 4.21Å; F312-F364 HydrophobicContact CD1-CD2 4.22Å; F312-F364 HydrophobicContact CD1-CG 4.08Å; F312-F364 HydrophobicContact CE1-CB 4Å; F312-F364 AromaticContact CE1-CD1 3.53Å; F312-F364 HydrophobicContact CE1-CD1 3.53Å; F312-F364 AromaticContact CE1-CD2 3.78Å; F312-F364 HydrophobicContact CE1-CD2 3.78Å; F312-F364 AromaticContact CE1-CE1 3.88Å; F312-F364 HydrophobicContact CE1-CE1 3.88Å; F312-F364 HydrophobicContact CE1-CE2 4.1Å; F312-F364 AromaticContact CE1-CG 3.49Å; F312-F364 HydrophobicContact CE1-CG 3.49Å; F312-F364 VanDerWaalsContact CE1-CG 3.49Å; F312-F364 HydrophobicContact CE1-CZ 4.16Å; F312-F364 HydrophobicContact CZ-CD1 4.13Å; F312-F364 HydrophobicContact CZ-CE1 4.31Å; F312-F364 HydrophobicContact CZ-CG 4.49Å; R314-F364 HydrophobicContact CB-CE1 4.24Å; R314-F364 HydrophobicContact CB-CE2 4.47Å; R314-F364 HydrophobicContact CB-CZ 3.75Å; R314-F364 HydrophobicContact CG-CZ 4.48Å; M359-F364 HydrophobicContact CB-CD1 4.49Å; M359-F364 HydrophobicContact CB-CE1 4.03Å; M359-F364 HydrophobicContact CG-CD1 4.17Å; M359-F364 HydrophobicContact CG-CE1 4.2Å; M359-F364 HydrophobicContact SD-CD1 4.24Å; G360-F364 WeakPolarHBondContact O-CD1 3.25Å; F361-F364 AromaticContact CD2-CD2 3.99Å; F361-F364 HydrophobicContact CD2-CD2 3.99Å; F361-F364 HydrophobicContact CD2-CE2 4.09Å; F361-F364 HydrophobicContact CD2-CG 4.28Å; F361-F364 HydrophobicContact CD2-CZ 4.45Å; F361-F364 HydrophobicContact CE2-CD2 4Å; F361-F364 HydrophobicContact CE2-CE2 4.31Å; F361-F364 WeakPolarHBondContact O-CB 3.45Å; F361-F364 WeakPolarHBondContact O-CD1 3.29Å; F361-F364 WeakPolarHBondContact O-CG 3.15Å; F361-F364 PolarHBondContact O-N 2.72Å; F362-F364 PolarHBondContact O-N 3.08Å; F364-K366 PolarHBondContact O-N 2.87Å; F364-Y367 WeakPolarHBondContact O-CD2 3.37Å; F364-Y367 PolarHBondContact O-N 2.88Å; F364-Q370 PolarHBondContact O-NE2 2.82Å; F364-L385 HydrophobicContact CD2-CD2 4.29Å
365	F	97.9	Very high	97.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-72.9	2.1	-179.2	-50.6	-64.2	0	0	0	113.9	V296 N299 T300 K307 F361 F362 D363 Y367	V296-F365 HydrophobicContact CG1-CE2 3.83Å; V296-F365 HydrophobicContact CG1-CZ 3.66Å; N299-F365 VanDerWaalsContact O-CD2 3.23Å; N299-F365 WeakPolarHBondContact O-CD2 3.28Å; T300-F365 WeakPolarHBondContact O-CB 3.11Å; K307-F365 PolarHBondContact NZ-O 2.73Å; F361-F365 HydrophobicContact CD1-CE2 4.18Å; F361-F365 HydrophobicContact CD1-CZ 4.47Å; F361-F365 AromaticContact CE1-CE2 3.7Å; F361-F365 HydrophobicContact CE1-CE2 3.7Å; F361-F365 AromaticContact CE1-CZ 3.58Å; F361-F365 HydrophobicContact CE1-CZ 3.58Å; F361-F365 HydrophobicContact CZ-CE2 4.21Å; F361-F365 AromaticContact CZ-CZ 3.7Å; F361-F365 HydrophobicContact CZ-CZ 3.7Å; F362-F365 HydrophobicContact CD1-CE2 4.45Å; F362-F365 WeakPolarHBondContact O-CD2 3.15Å; F362-F365 PolarHBondContact O-N 3.15Å; D363-F365 PolarHBondContact O-N 3.04Å; F365-Y367 PolarHBondContact O-N 2.56Å
366	K	98	Very high	97.3	Very high	93 Å²	93	37.5 Å²	37.5	40%	0.404	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-68.5	-17.8	163.1	-64.8	174.3	-177.4	166	0	112.3	K307 T308 D363 F364	K307-K366 CarbonylContact C-O 3.51Å; K307-K366 VanDerWaalsContact CA-O 3.32Å; K307-K366 WeakPolarHBondContact CA-O 3.16Å; K307-K366 WeakPolarHBondContact CB-O 3.25Å; T308-K366 PolarHBondContact N-O 3.36Å; D363-K366 HydrophobicContact CB-CD 4.2Å; D363-K366 VanDerWaalsContact O-CB 3.27Å; D363-K366 WeakPolarHBondContact O-CB 3.34Å; D363-K366 WeakPolarHBondContact O-CG 3.36Å; D363-K366 PolarHBondContact O-N 3.18Å; D363-K366 VanDerWaalsContact O-N 3.1Å; D363-K366 WeakPolarHBondContact OD1-CE 3.31Å; D363-K366 IonicContact OD1-NZ 3.59Å; D363-K366 PolarHBondContact OD1-NZ 3.29Å; D363-K366 IonicContact OD2-NZ 3.63Å; F364-K366 PolarHBondContact O-N 2.87Å
367	Y	98.7	Very high	97.2	Very high	33 Å²	33	36.6 Å²	36.6	13%	0.129	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.5	-179.3	-63.9	-95.5	0	0	0	111.3	T308 K310 F312 D337 M359 F364 F365 Q370 S390	T308-Y367 HydrophobicContact CG2-CD1 3.77Å; T308-Y367 HydrophobicContact CG2-CE1 3.74Å; T308-Y367 WeakPolarHBondContact O-CA 3.32Å; K310-Y367 HydrophobicContact CB-CD1 4.19Å; F312-Y367 HydrophobicContact CB-CD1 3.88Å; F312-Y367 HydrophobicContact CB-CD2 3.94Å; F312-Y367 HydrophobicContact CB-CG 3.54Å; F312-Y367 HydrophobicContact CD1-CD2 4.14Å; F312-Y367 AromaticContact CD2-CD1 3.95Å; F312-Y367 HydrophobicContact CD2-CD1 3.95Å; F312-Y367 AromaticContact CD2-CD2 3.51Å; F312-Y367 HydrophobicContact CD2-CD2 3.51Å; F312-Y367 AromaticContact CD2-CE1 3.81Å; F312-Y367 HydrophobicContact CD2-CE1 3.81Å; F312-Y367 AromaticContact CD2-CE2 3.36Å; F312-Y367 HydrophobicContact CD2-CE2 3.36Å; F312-Y367 AromaticContact CD2-CG 3.82Å; F312-Y367 HydrophobicContact CD2-CG 3.82Å; F312-Y367 AromaticContact CD2-CZ 3.52Å; F312-Y367 HydrophobicContact CE2-CD2 4.01Å; F312-Y367 AromaticContact CE2-CE2 3.49Å; F312-Y367 HydrophobicContact CE2-CE2 3.49Å; F312-Y367 VanDerWaalsContact CE2-CE2 3.49Å; F312-Y367 AromaticContact CE2-CZ 3.79Å; F312-Y367 HydrophobicContact CG-CD1 4.19Å; F312-Y367 AromaticContact CG-CD2 3.57Å; F312-Y367 HydrophobicContact CG-CD2 3.57Å; F312-Y367 HydrophobicContact CG-CE1 4.5Å; F312-Y367 AromaticContact CG-CE2 3.93Å; F312-Y367 HydrophobicContact CG-CE2 3.93Å; F312-Y367 AromaticContact CG-CG 3.72Å; F312-Y367 HydrophobicContact CG-CG 3.72Å; F312-Y367 HydrophobicContact CZ-CE2 4.18Å; D337-Y367 HydrophobicContact CB-CE1 4.38Å; D337-Y367 PolarHBondContact OD2-OH 3.04Å; M359-Y367 HydrophobicContact CE-CE2 4.45Å; M359-Y367 HydrophobicContact SD-CE2 4.29Å; F364-Y367 WeakPolarHBondContact O-CD2 3.37Å; F364-Y367 PolarHBondContact O-N 2.88Å; F365-Y367 PolarHBondContact O-N 2.56Å; Y367-Q370 PolarHBondContact O-NE2 2.91Å; Y367-S390 WeakPolarHBondContact O-CB 3.38Å; Y367-S390 PolarHBondContact O-OG 2.78Å
368	K	98.6	Very high	97.3	Very high	9 Å²	9	27.9 Å²	27.9	4%	0.039	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-36	179.5	-75.1	-169.3	-176.3	176	0	112.9	W304 K307 T308 E309 S390 L391 D434	W304-K368 HydrophobicContact CH2-CB 4.31Å; W304-K368 HydrophobicContact CZ2-CD 3.94Å; W304-K368 HydrophobicContact CZ2-CG 4.36Å; W304-K368 WeakPolarHBondContact O-CE 3.49Å; K307-K368 HydrophobicContact CB-CB 4.48Å; K307-K368 HydrophobicContact CB-CG 3.51Å; K307-K368 HydrophobicContact CD-CG 4.3Å; T308-K368 PolarHBondContact O-N 2.83Å; E309-K368 HydrophobicContact CB-CD 4.3Å; E309-K368 HydrophobicContact CG-CD 4.08Å; E309-K368 IonicContact OE1-NZ 3.4Å; E309-K368 PolarHBondContact OE1-NZ 3.35Å; K368-S390 CarbonylContact O-C 3.57Å; K368-S390 WeakPolarHBondContact O-CA 3.43Å; K368-S390 WeakPolarHBondContact O-CB 3.24Å; K368-L391 PolarHBondContact O-N 3.34Å; K368-D434 IonicContact NZ-OD1 3.3Å; K368-D434 PolarHBondContact NZ-OD1 2.9Å; K368-D434 IonicContact NZ-OD2 3.03Å; K368-D434 PolarHBondContact NZ-OD2 2.81Å
369	Y	98.8	Very high	97.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.7	-171	-31.4	-63.6	0	0	0	111.5	E309 K310 A311 F312 L391 V427 A430 K431	E309-Y369 HydrophobicContact CG-CE2 3.94Å; E309-Y369 VanDerWaalsContact CG-OH 3.31Å; E309-Y369 WeakPolarHBondContact CG-OH 3.34Å; K310-Y369 PolarHBondContact O-N 2.98Å; A311-Y369 CarbonylContact C-O 3.58Å; A311-Y369 VanDerWaalsContact CA-O 3.26Å; A311-Y369 WeakPolarHBondContact CA-O 3.02Å; F312-Y369 PolarHBondContact N-O 3.44Å; Y369-L391 CarbonylContact C-O 3.49Å; Y369-L391 WeakPolarHBondContact CA-O 3.43Å; Y369-L391 HydrophobicContact CD1-CB 4.13Å; Y369-L391 HydrophobicContact CD1-CD2 4.09Å; Y369-V427 HydrophobicContact CD2-CG1 4.29Å; Y369-A430 HydrophobicContact CD1-CB 3.97Å; Y369-A430 HydrophobicContact CE1-CB 3.63Å; Y369-A430 PolarHBondContact OH-O 2.89Å; Y369-K431 HydrophobicContact CE2-CG 3.76Å; Y369-K431 WeakPolarHBondContact OH-CA 3.26Å; Y369-K431 WeakPolarHBondContact OH-CG 3.35Å; Y369-K431 PolarHBondContact OH-N 2.86Å
370	Q	98.8	Very high	97.4	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.2	179	-58.8	-60.4	-46.3	0	0	109.6	F364 Y367 L385 L391 V392 L393	F364-Q370 PolarHBondContact O-NE2 2.82Å; Y367-Q370 PolarHBondContact O-NE2 2.91Å; Q370-L385 HydrophobicContact CB-CD1 4.15Å; Q370-L385 HydrophobicContact CB-CD2 4.15Å; Q370-L385 HydrophobicContact CG-CD2 4.09Å; Q370-L391 PolarHBondContact N-O 3.17Å; Q370-V392 HydrophobicContact CB-CG2 4.47Å; Q370-V392 WeakPolarHBondContact O-CA 3.18Å; Q370-L393 PolarHBondContact O-N 2.89Å
371	V	98.8	Very high	97.4	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.3	175.8	-166.1	0	0	0	0	108.9	A311 F312 F313 L325 L336 V373 L393 I416 L423	A311-V371 HydrophobicContact CB-CG2 3.83Å; F312-V371 PolarHBondContact O-N 3.44Å; F313-V371 HydrophobicContact CB-CB 4.47Å; F313-V371 WeakPolarHBondContact CD2-O 3.37Å; L325-V371 HydrophobicContact CD1-CG1 4.06Å; L325-V371 HydrophobicContact CD2-CB 4.31Å; L325-V371 HydrophobicContact CD2-CG1 4.11Å; L336-V371 HydrophobicContact CD1-CG2 3.96Å; V371-V373 HydrophobicContact CG1-CG2 3.8Å; V371-L393 HydrophobicContact CG2-CD1 4.21Å; V371-I416 HydrophobicContact CG1-CD1 3.91Å; V371-L423 HydrophobicContact CG1-CD1 4.05Å; V371-L423 HydrophobicContact CG1-CD2 4.28Å; V371-L423 HydrophobicContact CG2-CD1 4.14Å
372	N	98.7	Very high	97.5	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.011	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	101.2	177.6	-174.3	77.8	0	0	0	110.3	Y382 L385 V392 L393 Q395	N372-Y382 HydrophobicContact CB-CD2 4.08Å; N372-Y382 WeakPolarHBondContact OD1-CB 3.32Å; N372-L385 HydrophobicContact CB-CD1 4Å; N372-V392 HydrophobicContact CB-CG1 3.84Å; N372-L393 PolarHBondContact N-O 3.43Å; N372-Q395 VanDerWaalsContact O-CB 3.3Å; N372-Q395 WeakPolarHBondContact O-CB 3.36Å; N372-Q395 PolarHBondContact O-N 2.98Å
373	V	98.3	Very high	97.6	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	8%	0.083	C	C	.	.			trans	-109.9	135	177.8	-176.5	0	0	0	0	109.3	E321 R322 L325 V371 Q395 L420	E321-V373 HydrophobicContact CB-CG1 3.93Å; R322-V373 HydrophobicContact CG-CB 4.15Å; R322-V373 HydrophobicContact CG-CG1 3.73Å; R322-V373 PolarHBondContact NE-O 3.45Å; R322-V373 PolarHBondContact NH2-O 3.27Å; L325-V373 HydrophobicContact CD2-CG2 3.94Å; V371-V373 HydrophobicContact CG1-CG2 3.8Å; V373-Q395 VanDerWaalsContact CG1-OE1 3.28Å; V373-L420 HydrophobicContact CG2-CD2 4.1Å
374	D	97.8	Very high	97.7	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	7%	0.07	C	C	.	.			trans	-53	154.2	176.9	-76.1	-5.2	0	0	0	112.5	R322 V377 S397	R322-D374 PolarHBondContact NE-O 3.19Å; R322-D374 VanDerWaalsContact NH2-C 3.3Å; R322-D374 PolarHBondContact NH2-O 3.39Å; D374-V377 WeakPolarHBondContact CB-O 3.27Å; D374-S397 WeakPolarHBondContact OD2-CB 3.43Å; D374-S397 PolarHBondContact OD2-OG 3.14Å
375	G	95.4	Very high	97.7	Very high	6 Å²	6	14.9 Å²	14.9	6%	0.062	7%	0.068	C	C	.	.	S	Bend	trans	-101.8	-131.8	166.4	0	0	0	0	0	109.4	S318 R319 R322 V377	S318-G375 CarbonylContact O-C 3.57Å; S318-G375 WeakPolarHBondContact OG-CA 3.16Å; R319-G375 WeakPolarHBondContact CG-O 3.42Å; R322-G375 VanDerWaalsContact NH2-N 3.17Å; G375-V377 PolarHBondContact N-O 3.23Å; G375-V377 PolarHBondContact O-N 2.88Å
376	T	94.7	Very high	97.7	Very high	29 Å²	29	15 Å²	15	18%	0.178	7%	0.069	C	C	.	.	S	Bend	trans	-49.6	-51.8	167.1	-43.2	0	0	0	0	110	D242 W243	D242-T376 HydrophobicContact CB-CG2 3.76Å; D242-T376 VanDerWaalsContact OD2-CB 3.27Å; D242-T376 WeakPolarHBondContact OD2-CB 3.19Å; D242-T376 WeakPolarHBondContact OD2-CG2 2.95Å; D242-T376 PolarHBondContact OD2-OG1 3.29Å; D242-T376 VanDerWaalsContact OD2-OG1 3.05Å; W243-T376 HydrophobicContact CD2-CG2 4.08Å; W243-T376 HydrophobicContact CH2-CG2 3.97Å; W243-T376 WeakPolarHBondContact CH2-O 3.5Å; W243-T376 HydrophobicContact CZ2-CG2 3.35Å; W243-T376 WeakPolarHBondContact CZ3-O 3.4Å
377	V	96.8	Very high	97.7	Very high	5 Å²	5	10.6 Å²	10.6	3%	0.03	5%	0.05	C	C	.	.	S	Bend	trans	-127.8	-156.7	174.6	-65.2	0	0	0	0	110.6	D242 W243 C263 D374 G375 A379 Y380 Y399	D242-V377 HydrophobicContact CB-CG1 4.37Å; D242-V377 HydrophobicContact CB-CG2 4.22Å; D242-V377 VanDerWaalsContact O-CG1 3.28Å; D242-V377 WeakPolarHBondContact O-CG1 3.12Å; W243-V377 HydrophobicContact CD2-CG1 4.1Å; W243-V377 HydrophobicContact CE3-CG1 3.51Å; W243-V377 HydrophobicContact CZ3-CG1 3.84Å; C263-V377 HydrophobicContact CB-CB 4.28Å; C263-V377 HydrophobicContact CB-CG2 3.89Å; D374-V377 WeakPolarHBondContact CB-O 3.27Å; G375-V377 PolarHBondContact N-O 3.23Å; G375-V377 PolarHBondContact O-N 2.88Å; V377-A379 PolarHBondContact O-N 2.73Å; V377-Y380 HydrophobicContact CG2-CE1 4.35Å; V377-Y399 HydrophobicContact CB-CD1 4.14Å; V377-Y399 HydrophobicContact CB-CD2 4.4Å; V377-Y399 HydrophobicContact CB-CG 4.07Å; V377-Y399 HydrophobicContact CG1-CD1 4.05Å; V377-Y399 HydrophobicContact CG1-CE1 4.11Å; V377-Y399 HydrophobicContact CG1-CG 4.41Å
378	A	97.4	Very high	97.6	Very high	5 Å²	5	9.1 Å²	9.1	4%	0.041	5%	0.045	C	C	.	.	S	Bend	trans	-47.2	137.1	174.9	0	0	0	0	0	111.2	Y380 E401 Y404	A378-Y380 WeakPolarHBondContact O-CD1 3.33Å; A378-Y380 PolarHBondContact O-N 2.9Å; A378-Y380 VanDerWaalsContact O-N 3.14Å; A378-E401 HydrophobicContact CB-CG 4.15Å; A378-Y404 HydrophobicContact CB-CE2 4.38Å
379	A	97	Very high	97.5	Very high	7 Å²	7	9.9 Å²	9.9	6%	0.058	5%	0.049	C	C	.	.			trans	-73.9	107.3	-179.1	0	0	0	0	0	111.2	V377 R381 Y382	V377-A379 PolarHBondContact O-N 2.73Å; A379-R381 PolarHBondContact O-N 3.4Å; A379-Y382 WeakPolarHBondContact O-CB 3.33Å; A379-Y382 PolarHBondContact O-N 3.37Å
380	Y	96.1	Very high	97.4	Very high	29 Å²	29	10 Å²	10	11%	0.114	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-5.6	177.9	-60.4	-13.2	0	0	0	114.7	W262 C263 T275 Y276 D277 V377 A378 P383 Y384 E401	W262-Y380 WeakPolarHBondContact CB-OH 3.43Å; C263-Y380 HydrophobicContact CB-CE1 4.38Å; T275-Y380 HydrophobicContact CG2-CD1 3.53Å; T275-Y380 HydrophobicContact CG2-CD2 4.42Å; T275-Y380 HydrophobicContact CG2-CE1 3.3Å; T275-Y380 HydrophobicContact CG2-CE2 4.24Å; T275-Y380 HydrophobicContact CG2-CG 4.1Å; Y276-Y380 HydrophobicContact CD1-CE2 4.15Å; Y276-Y380 HydrophobicContact CE1-CD2 4.12Å; Y276-Y380 AromaticContact CE1-CE2 3.51Å; Y276-Y380 HydrophobicContact CE1-CE2 3.51Å; Y276-Y380 AromaticContact CZ-CD2 4Å; Y276-Y380 AromaticContact CZ-CE2 3.85Å; D277-Y380 HydrophobicContact CB-CD2 4.45Å; V377-Y380 HydrophobicContact CG2-CE1 4.35Å; A378-Y380 WeakPolarHBondContact O-CD1 3.33Å; A378-Y380 PolarHBondContact O-N 2.9Å; A378-Y380 VanDerWaalsContact O-N 3.14Å; Y380-P383 WeakPolarHBondContact O-CD 3.41Å; Y380-P383 VanDerWaalsContact O-CG 3.29Å; Y380-P383 WeakPolarHBondContact O-CG 3.21Å; Y380-Y384 WeakPolarHBondContact O-CD2 3.3Å; Y380-Y384 WeakPolarHBondContact O-CE2 3.26Å; Y380-E401 HydrophobicContact CD1-CG 4.4Å; Y380-E401 HydrophobicContact CE1-CG 4.5Å
381	R	96.3	Very high	97.4	Very high	69 Å²	69	10 Å²	10	26%	0.26	5%	0.05	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-25.2	169	-165	-173.7	-71.2	143.9	-7	112.8	R314 F361 A379 Y384 L385	R314-R381 PolarHBondContact O-NH1 2.87Å; R314-R381 PolarHBondContact O-NH2 2.75Å; F361-R381 HydrophobicContact CE2-CG 3.65Å; F361-R381 HydrophobicContact CZ-CG 4.3Å; A379-R381 PolarHBondContact O-N 3.4Å; R381-Y384 PolarHBondContact O-N 3.12Å; R381-L385 HydrophobicContact CG-CD1 4.35Å; R381-L385 HydrophobicContact CG-CD2 4.17Å; R381-L385 HydrophobicContact CG-CG 3.96Å; R381-L385 PolarHBondContact O-N 3.27Å
382	Y	98.4	Very high	97.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-51	-46.7	-176	-174.1	-122.5	0	0	0	114.3	N372 A379 Y384 L385 M386 V392 K394 F403 Y404 L407 Y413	N372-Y382 HydrophobicContact CB-CD2 4.08Å; N372-Y382 WeakPolarHBondContact OD1-CB 3.32Å; A379-Y382 WeakPolarHBondContact O-CB 3.33Å; A379-Y382 PolarHBondContact O-N 3.37Å; Y382-Y384 VanDerWaalsContact C-N 3.25Å; Y382-Y384 PolarHBondContact O-N 2.85Å; Y382-L385 PolarHBondContact O-N 3.42Å; Y382-M386 HydrophobicContact CD1-CG 4.39Å; Y382-M386 HydrophobicContact CD2-CG 3.9Å; Y382-M386 HydrophobicContact CD2-SD 4.47Å; Y382-M386 HydrophobicContact CE1-CG 4.1Å; Y382-M386 HydrophobicContact CE2-CG 3.5Å; Y382-M386 HydrophobicContact CE2-SD 3.57Å; Y382-M386 VanDerWaalsContact CE2-SD 3.57Å; Y382-M386 HydrophobicContact CG-CG 4.33Å; Y382-M386 VanDerWaalsContact O-CG 3.3Å; Y382-M386 WeakPolarHBondContact O-CG 3.17Å; Y382-M386 PolarHBondContact O-N 2.87Å; Y382-M386 PolarHBondContact OH-SD 3.38Å; Y382-V392 HydrophobicContact CD2-CG1 3.92Å; Y382-V392 HydrophobicContact CE2-CB 4.32Å; Y382-V392 HydrophobicContact CE2-CG1 3.62Å; Y382-K394 HydrophobicContact CD2-CG 4.44Å; Y382-K394 HydrophobicContact CE1-CD 4.07Å; Y382-K394 HydrophobicContact CE2-CB 4.19Å; Y382-K394 HydrophobicContact CE2-CD 4.03Å; Y382-K394 HydrophobicContact CE2-CG 3.94Å; Y382-F403 HydrophobicContact CD1-CE2 4.33Å; Y382-F403 AromaticContact CD1-CZ 3.95Å; Y382-F403 HydrophobicContact CD1-CZ 3.95Å; Y382-F403 HydrophobicContact CE1-CE2 4.31Å; Y382-F403 HydrophobicContact CE1-CZ 4.37Å; Y382-Y404 WeakPolarHBondContact CB-OH 3.39Å; Y382-Y404 HydrophobicContact CD1-CD1 4.16Å; Y382-Y404 AromaticContact CD1-CE1 3.36Å; Y382-Y404 HydrophobicContact CD1-CE1 3.36Å; Y382-Y404 HydrophobicContact CD1-CE2 4.16Å; Y382-Y404 AromaticContact CD1-CZ 3.34Å; Y382-Y404 WeakPolarHBondContact CD1-OH 3.43Å; Y382-Y404 HydrophobicContact CE1-CD1 4.21Å; Y382-Y404 AromaticContact CE1-CE1 3.85Å; Y382-Y404 HydrophobicContact CE1-CE1 3.85Å; Y382-Y404 HydrophobicContact CE1-CE2 4.4Å; Y382-Y404 AromaticContact CE1-CZ 3.94Å; Y382-Y404 HydrophobicContact CG-CE1 4.47Å; Y382-L407 HydrophobicContact CE1-CD1 3.55Å; Y382-L407 WeakPolarHBondContact OH-CD1 3.45Å; Y382-Y413 WeakPolarHBondContact OH-CD1 3.22Å
383	P	98.3	Very high	97.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-53.4	-41.9	175	16.7	-31.4	0	0	0	113	V278 Y380 M386 L387 E401 F403 L452	V278-P383 HydrophobicContact CG2-CB 4.17Å; V278-P383 HydrophobicContact CG2-CG 3.74Å; Y380-P383 WeakPolarHBondContact O-CD 3.41Å; Y380-P383 VanDerWaalsContact O-CG 3.29Å; Y380-P383 WeakPolarHBondContact O-CG 3.21Å; P383-M386 PolarHBondContact O-N 2.95Å; P383-L387 WeakPolarHBondContact O-CG 3.37Å; P383-L387 PolarHBondContact O-N 3.47Å; P383-E401 WeakPolarHBondContact CD-OE1 3.15Å; P383-F403 HydrophobicContact CB-CE1 4.06Å; P383-F403 HydrophobicContact CB-CZ 3.82Å; P383-F403 HydrophobicContact CG-CE1 4.4Å; P383-F403 HydrophobicContact CG-CZ 4.39Å; P383-L452 HydrophobicContact CB-CD1 3.48Å; P383-L452 VanDerWaalsContact CB-CD1 3.48Å; P383-L452 HydrophobicContact CB-CD2 4.3Å
384	Y	98.4	Very high	97.5	Very high	16 Å²	16	10.5 Å²	10.5	6%	0.063	5%	0.052	C	C	.	.	H	α-helix	trans	-74.5	-36.7	180	-52.6	-90	0	0	0	113.1	D277 S281 N291 L293 V296 F361 Y380 R381 Y382 M386 L387 G388	D277-Y384 PolarHBondContact O-OH 3.29Å; D277-Y384 WeakPolarHBondContact OD2-CE2 3.48Å; D277-Y384 PolarHBondContact OD2-OH 3.23Å; S281-Y384 VanDerWaalsContact CB-OH 3.27Å; S281-Y384 WeakPolarHBondContact CB-OH 3.29Å; N291-Y384 WeakPolarHBondContact O-CE1 3.24Å; L293-Y384 HydrophobicContact CD2-CD1 3.96Å; L293-Y384 HydrophobicContact CD2-CE1 3.62Å; L293-Y384 HydrophobicContact CG-CE1 4.19Å; V296-Y384 WeakPolarHBondContact CG1-O 3.45Å; V296-Y384 HydrophobicContact CG2-CD1 4.04Å; F361-Y384 HydrophobicContact CE1-CG 4.4Å; F361-Y384 HydrophobicContact CZ-CG 4.37Å; Y380-Y384 WeakPolarHBondContact O-CD2 3.3Å; Y380-Y384 WeakPolarHBondContact O-CE2 3.26Å; R381-Y384 PolarHBondContact O-N 3.12Å; Y382-Y384 VanDerWaalsContact C-N 3.25Å; Y382-Y384 PolarHBondContact O-N 2.85Å; Y384-M386 VanDerWaalsContact C-N 3.28Å; Y384-M386 PolarHBondContact O-N 2.97Å; Y384-L387 PolarHBondContact O-N 3.2Å; Y384-G388 PolarHBondContact O-N 2.88Å
385	L	98.6	Very high	97.5	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.016	5%	0.052	C	C	.	.	H	α-helix	trans	-61.1	-42.1	173.5	-63.9	179.1	0	0	0	110.8	F361 F364 Q370 N372 R381 Y382 G388 V392	F361-L385 HydrophobicContact CE2-CD2 4.04Å; F361-L385 HydrophobicContact CZ-CD2 4.18Å; F364-L385 HydrophobicContact CD2-CD2 4.29Å; Q370-L385 HydrophobicContact CB-CD1 4.15Å; Q370-L385 HydrophobicContact CB-CD2 4.15Å; Q370-L385 HydrophobicContact CG-CD2 4.09Å; N372-L385 HydrophobicContact CB-CD1 4Å; R381-L385 HydrophobicContact CG-CD1 4.35Å; R381-L385 HydrophobicContact CG-CD2 4.17Å; R381-L385 HydrophobicContact CG-CG 3.96Å; R381-L385 PolarHBondContact O-N 3.27Å; Y382-L385 PolarHBondContact O-N 3.42Å; L385-G388 PolarHBondContact O-N 3.4Å; L385-V392 HydrophobicContact CB-CG2 3.9Å
386	M	98.4	Very high	97.6	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.02	8%	0.076	C	C	.	.	H	α-helix	trans	-67.5	-33.2	177.9	-67.8	-68.5	-66.9	0	0	112.5	Y382 P383 Y384 G388 V392 L407 H412 Q445 A448	Y382-M386 HydrophobicContact CD1-CG 4.39Å; Y382-M386 HydrophobicContact CD2-CG 3.9Å; Y382-M386 HydrophobicContact CD2-SD 4.47Å; Y382-M386 HydrophobicContact CE1-CG 4.1Å; Y382-M386 HydrophobicContact CE2-CG 3.5Å; Y382-M386 HydrophobicContact CE2-SD 3.57Å; Y382-M386 VanDerWaalsContact CE2-SD 3.57Å; Y382-M386 HydrophobicContact CG-CG 4.33Å; Y382-M386 VanDerWaalsContact O-CG 3.3Å; Y382-M386 WeakPolarHBondContact O-CG 3.17Å; Y382-M386 PolarHBondContact O-N 2.87Å; Y382-M386 PolarHBondContact OH-SD 3.38Å; P383-M386 PolarHBondContact O-N 2.95Å; Y384-M386 VanDerWaalsContact C-N 3.28Å; Y384-M386 PolarHBondContact O-N 2.97Å; M386-G388 PolarHBondContact O-N 3.28Å; M386-V392 HydrophobicContact CG-CG2 4.32Å; M386-V392 HydrophobicContact SD-CB 3.91Å; M386-V392 HydrophobicContact SD-CG2 3.67Å; M386-L407 HydrophobicContact CE-CD1 4.18Å; M386-L407 HydrophobicContact CE-CD2 4.11Å; M386-H412 HydrophobicContact CE-CB 4.16Å; M386-H412 WeakPolarHBondContact CE-O 3.48Å; M386-Q445 WeakPolarHBondContact O-CA 3.26Å; M386-A448 HydrophobicContact CB-CB 3.64Å
387	L	97.9	Very high	97.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-69.6	-19.8	173.7	-74.3	166.7	0	0	0	113.5	L293 V296 Q297 P383 Y384 Q445 A448 R449 L452	L293-L387 HydrophobicContact CB-CD1 3.92Å; L293-L387 HydrophobicContact CD2-CD1 3.55Å; L293-L387 HydrophobicContact CG-CD1 4.34Å; V296-L387 HydrophobicContact CB-CB 4.33Å; V296-L387 HydrophobicContact CG1-CB 3.72Å; Q297-L387 HydrophobicContact CG-CD2 4.09Å; P383-L387 WeakPolarHBondContact O-CG 3.37Å; P383-L387 PolarHBondContact O-N 3.47Å; Y384-L387 PolarHBondContact O-N 3.2Å; L387-Q445 PolarHBondContact O-NE2 2.88Å; L387-A448 HydrophobicContact CD2-CB 4.28Å; L387-A448 HydrophobicContact CG-CB 4.42Å; L387-R449 HydrophobicContact CD2-CB 4.4Å; L387-R449 HydrophobicContact CD2-CG 3.81Å; L387-L452 HydrophobicContact CD1-CD1 4.06Å; L387-L452 HydrophobicContact CD2-CD1 4.5Å; L387-L452 HydrophobicContact CG-CD1 4.07Å
388	G	96.4	Very high	97.7	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.01	8%	0.081	C	C	.	.	S	Bend	trans	-64.6	-179.3	168.5	0	0	0	0	0	113.6	Y384 L385 M386 Q445	Y384-G388 PolarHBondContact O-N 2.88Å; L385-G388 PolarHBondContact O-N 3.4Å; M386-G388 PolarHBondContact O-N 3.28Å; G388-Q445 VanDerWaalsContact C-NE2 3.26Å; G388-Q445 WeakPolarHBondContact O-CB 3.12Å; G388-Q445 VanDerWaalsContact O-CD 3.29Å; G388-Q445 WeakPolarHBondContact O-CG 3.12Å; G388-Q445 PolarHBondContact O-NE2 2.92Å
389	D	95.3	Very high	97.8	Very high	26 Å²	26	17.1 Å²	17.1	14%	0.139	9%	0.085	C	C	.	.	S	Bend	trans	-113.3	16	176.8	68.2	-12.4	0	0	0	112.6	T300 K307	T300-D389 VanDerWaalsContact CB-OD1 3.32Å; T300-D389 WeakPolarHBondContact CB-OD1 3.39Å; T300-D389 HydrophobicContact CG2-CB 4.41Å; T300-D389 PolarHBondContact OG1-OD2 3.17Å; T300-D389 VanDerWaalsContact OG1-OD2 3.06Å; K307-D389 WeakPolarHBondContact CE-OD1 3.43Å; K307-D389 WeakPolarHBondContact CE-OD2 3.02Å; K307-D389 IonicContact NZ-OD1 3.85Å; K307-D389 PolarHBondContact NZ-OD1 3.49Å; K307-D389 IonicContact NZ-OD2 2.76Å; K307-D389 PolarHBondContact NZ-OD2 2.91Å; K307-D389 VanDerWaalsContact NZ-OD2 3.11Å
390	S	98.4	Very high	97.9	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.021	9%	0.087	C	C	.	.	S	Bend	trans	-91	151.8	173.4	-60	0	0	0	0	110.5	Y367 K368 V392	Y367-S390 WeakPolarHBondContact O-CB 3.38Å; Y367-S390 PolarHBondContact O-OG 2.78Å; K368-S390 CarbonylContact O-C 3.57Å; K368-S390 WeakPolarHBondContact O-CA 3.43Å; K368-S390 WeakPolarHBondContact O-CB 3.24Å; S390-V392 PolarHBondContact O-N 2.97Å
391	L	98.9	Very high	98	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128	171.4	175.3	66.2	0	0	0	109.9	W304 K368 Y369 Q370 V414 A430 A437 I440 A441	W304-L391 HydrophobicContact CH2-CB 4.14Å; K368-L391 PolarHBondContact O-N 3.34Å; Y369-L391 CarbonylContact C-O 3.49Å; Y369-L391 WeakPolarHBondContact CA-O 3.43Å; Y369-L391 HydrophobicContact CD1-CB 4.13Å; Y369-L391 HydrophobicContact CD1-CD2 4.09Å; Q370-L391 PolarHBondContact N-O 3.17Å; L391-V414 HydrophobicContact CD1-CG2 4.07Å; L391-V414 HydrophobicContact CD2-CG2 4.03Å; L391-V414 HydrophobicContact CG-CG2 4.45Å; L391-A430 HydrophobicContact CD2-CB 3.82Å; L391-A437 HydrophobicContact CD2-CB 3.84Å; L391-I440 HydrophobicContact CD1-CB 3.88Å; L391-I440 HydrophobicContact CD1-CG2 3.54Å; L391-A441 HydrophobicContact CB-CB 4.04Å; L391-A441 HydrophobicContact CD1-CB 4.44Å
392	V	98.9	Very high	98	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.012	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.9	174.5	-170.9	0	0	0	0	110.9	Q370 N372 Y382 L385 M386 S390 Y413 V414	Q370-V392 HydrophobicContact CB-CG2 4.47Å; Q370-V392 WeakPolarHBondContact O-CA 3.18Å; N372-V392 HydrophobicContact CB-CG1 3.84Å; Y382-V392 HydrophobicContact CD2-CG1 3.92Å; Y382-V392 HydrophobicContact CE2-CB 4.32Å; Y382-V392 HydrophobicContact CE2-CG1 3.62Å; L385-V392 HydrophobicContact CB-CG2 3.9Å; M386-V392 HydrophobicContact CG-CG2 4.32Å; M386-V392 HydrophobicContact SD-CB 3.91Å; M386-V392 HydrophobicContact SD-CG2 3.67Å; S390-V392 PolarHBondContact O-N 2.97Å; V392-Y413 WeakPolarHBondContact O-CB 3.49Å; V392-V414 PolarHBondContact O-N 3.16Å
393	L	98.9	Very high	98	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	98.1	169	-65.3	162.6	0	0	0	107.5	A311 Q370 V371 N372 V414 I416 L423 K426 V427	A311-L393 HydrophobicContact CB-CD1 4.32Å; Q370-L393 PolarHBondContact O-N 2.89Å; V371-L393 HydrophobicContact CG2-CD1 4.21Å; N372-L393 PolarHBondContact N-O 3.43Å; L393-V414 CarbonylContact C-O 3.37Å; L393-V414 VanDerWaalsContact CA-O 3.31Å; L393-V414 WeakPolarHBondContact CA-O 3.29Å; L393-V414 HydrophobicContact CD2-CB 3.76Å; L393-V414 HydrophobicContact CD2-CG1 3.62Å; L393-I416 HydrophobicContact CB-CG2 4.11Å; L393-I416 HydrophobicContact CD2-CG2 4.19Å; L393-L423 HydrophobicContact CD1-CD1 4.05Å; L393-K426 HydrophobicContact CD2-CB 3.9Å; L393-V427 HydrophobicContact CD1-CG2 3.71Å
394	K	98.8	Very high	98	Very high	15 Å²	15	15.4 Å²	15.4	7%	0.065	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.1	-172.3	-168.5	-162.6	176.9	-70.6	0	110.8	Y382 D396 Y413 V414 P415 I416	Y382-K394 HydrophobicContact CD2-CG 4.44Å; Y382-K394 HydrophobicContact CE1-CD 4.07Å; Y382-K394 HydrophobicContact CE2-CB 4.19Å; Y382-K394 HydrophobicContact CE2-CD 4.03Å; Y382-K394 HydrophobicContact CE2-CG 3.94Å; K394-D396 PolarHBondContact O-N 3.19Å; K394-Y413 HydrophobicContact CB-CD2 3.42Å; K394-Y413 VanDerWaalsContact CB-CD2 3.42Å; K394-Y413 HydrophobicContact CB-CE2 3.82Å; K394-Y413 HydrophobicContact CB-CG 4Å; K394-Y413 HydrophobicContact CD-CD2 4.14Å; K394-Y413 HydrophobicContact CD-CE1 4.28Å; K394-Y413 HydrophobicContact CD-CE2 3.86Å; K394-Y413 HydrophobicContact CD-CG 4.46Å; K394-Y413 HydrophobicContact CG-CD2 4.39Å; K394-Y413 HydrophobicContact CG-CE2 4.42Å; K394-V414 PolarHBondContact N-O 2.99Å; K394-P415 WeakPolarHBondContact O-CA 3.43Å; K394-I416 PolarHBondContact O-N 3.48Å
395	Q	98.3	Very high	97.9	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	134	171.4	-167.7	-171	24	0	0	111.3	N372 V373 S397 I416 R418 L420	N372-Q395 VanDerWaalsContact O-CB 3.3Å; N372-Q395 WeakPolarHBondContact O-CB 3.36Å; N372-Q395 PolarHBondContact O-N 2.98Å; V373-Q395 VanDerWaalsContact CG1-OE1 3.28Å; Q395-S397 PolarHBondContact O-N 3.4Å; Q395-I416 VanDerWaalsContact CA-CG1 3.47Å; Q395-I416 HydrophobicContact CB-CD1 4.35Å; Q395-I416 HydrophobicContact CB-CG1 4.15Å; Q395-R418 PolarHBondContact NE2-O 3.43Å; Q395-L420 HydrophobicContact CG-CD2 4.37Å
396	D	97.9	Very high	97.8	Very high	104 Å²	104	19.7 Å²	19.7	56%	0.556	11%	0.109	S	C	*	.	P	Polyproline II helix	trans	-61.2	124.8	166.3	-176.9	31.2	0	0	0	109.4	K394 I416 R418	K394-D396 PolarHBondContact O-N 3.19Å; D396-I416 WeakPolarHBondContact CB-O 3.15Å; D396-I416 PolarHBondContact N-O 2.91Å; D396-R418 WeakPolarHBondContact O-CB 3.47Å; D396-R418 WeakPolarHBondContact O-CG 3.32Å
397	S	96.9	Very high	97.8	Very high	17 Å²	17	20.1 Å²	20.1	12%	0.119	11%	0.112	C	C	.	.			trans	-146.1	137.5	-164.4	175	0	0	0	0	110.1	D374 Q395 Y399	D374-S397 WeakPolarHBondContact OD2-CB 3.43Å; D374-S397 PolarHBondContact OD2-OG 3.14Å; Q395-S397 PolarHBondContact O-N 3.4Å; S397-Y399 PolarHBondContact O-N 3.05Å; S397-Y399 WeakPolarHBondContact OG-CB 3.14Å; S397-Y399 PolarHBondContact OG-N 2.9Å; S397-Y399 PolarHBondContact OG-O 3.02Å
398	P	97.1	Very high	97.8	Very high	29 Å²	29	27.8 Å²	27.8	19%	0.188	14%	0.141	C	C	.	.	S	Bend	trans	-72.7	-13.8	168.7	33.6	-35.4	0	0	0	112	S265 L266	S265-P398 CarbonylContact C-O 3.52Å; S265-P398 WeakPolarHBondContact CA-O 3.48Å; L266-P398 HydrophobicContact CD1-CB 4.41Å; L266-P398 HydrophobicContact CG-CB 4.36Å; L266-P398 PolarHBondContact N-O 3.34Å
399	Y	98.4	Very high	97.9	Very high	32 Å²	32	30.9 Å²	30.9	13%	0.125	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	144.7	-176	-58.5	-65.1	0	0	0	112	W243 G264 V377 S397	W243-Y399 HydrophobicContact CE3-CE1 4.17Å; W243-Y399 HydrophobicContact CZ3-CE1 4.11Å; W243-Y399 HydrophobicContact CZ3-CE2 4.08Å; W243-Y399 AromaticContact CZ3-CZ 3.51Å; W243-Y399 WeakPolarHBondContact CZ3-OH 3.37Å; G264-Y399 CarbonylContact O-C 3.53Å; G264-Y399 VanDerWaalsContact O-CA 3.26Å; G264-Y399 WeakPolarHBondContact O-CA 3.44Å; V377-Y399 HydrophobicContact CB-CD1 4.14Å; V377-Y399 HydrophobicContact CB-CD2 4.4Å; V377-Y399 HydrophobicContact CB-CG 4.07Å; V377-Y399 HydrophobicContact CG1-CD1 4.05Å; V377-Y399 HydrophobicContact CG1-CE1 4.11Å; V377-Y399 HydrophobicContact CG1-CG 4.41Å; S397-Y399 PolarHBondContact O-N 3.05Å; S397-Y399 WeakPolarHBondContact OG-CB 3.14Å; S397-Y399 PolarHBondContact OG-N 2.9Å; S397-Y399 PolarHBondContact OG-O 3.02Å
400	Y	98.3	Very high	98.1	Very high	30 Å²	30	34.7 Å²	34.7	12%	0.118	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.3	179.3	61.9	-94.2	0	0	0	112.6	Q162 C263 G264 S265 I272	Q162-Y400 VanDerWaalsContact NE2-CE2 3.26Å; C263-Y400 PolarHBondContact SG-O 2.77Å; C263-Y400 VanDerWaalsContact SG-O 3.36Å; G264-Y400 PolarHBondContact N-O 2.89Å; G264-Y400 PolarHBondContact O-N 3.15Å; S265-Y400 VanDerWaalsContact C-CE1 3.48Å; S265-Y400 WeakPolarHBondContact O-CE1 3.48Å; I272-Y400 HydrophobicContact CG1-CD2 4.38Å; I272-Y400 HydrophobicContact CG1-CE2 3.61Å
401	E	98.3	Very high	98.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.			trans	-103	168	166.6	-57.1	174.5	-106.1	0	0	109.7	T275 A378 Y380 P383 F403 Y404	T275-E401 HydrophobicContact CG2-CG 3.9Å; T275-E401 WeakPolarHBondContact CG2-OE2 3.35Å; T275-E401 PolarHBondContact OG1-OE2 2.94Å; A378-E401 HydrophobicContact CB-CG 4.15Å; Y380-E401 HydrophobicContact CD1-CG 4.4Å; Y380-E401 HydrophobicContact CE1-CG 4.5Å; P383-E401 WeakPolarHBondContact CD-OE1 3.15Å; E401-F403 HydrophobicContact CB-CD1 4.13Å; E401-F403 HydrophobicContact CB-CE1 4Å; E401-F403 PolarHBondContact O-N 2.86Å; E401-Y404 HydrophobicContact CB-CD1 3.8Å; E401-Y404 HydrophobicContact CB-CE1 3.53Å; E401-Y404 HydrophobicContact CG-CD1 4.43Å; E401-Y404 HydrophobicContact CG-CE1 3.69Å; E401-Y404 PolarHBondContact O-N 2.91Å; E401-Y404 WeakPolarHBondContact OE1-CE1 3.07Å; E401-Y404 VanDerWaalsContact OE1-CZ 3.27Å; E401-Y404 PolarHBondContact OE1-OH 3.36Å
402	H	97.9	Very high	98.1	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.056	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-25.4	-173.5	72	-71.5	0	0	0	117	Q162 I272 P274 Y460	Q162-H402 VanDerWaalsContact CB-O 3.32Å; Q162-H402 WeakPolarHBondContact CB-O 3.44Å; Q162-H402 WeakPolarHBondContact CG-O 3.49Å; I272-H402 HydrophobicContact CG2-CB 4.22Å; P274-H402 WeakPolarHBondContact CA-ND1 3.46Å; H402-Y460 HydrophobicContact CB-CE1 4.01Å; H402-Y460 HydrophobicContact CB-CE2 4.07Å
403	F	97.6	Very high	98.1	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.035	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-6.7	-175.3	71.8	-79.7	0	0	0	114.1	Y382 P383 E401 V405 A406 L407 L451 L452	Y382-F403 HydrophobicContact CD1-CE2 4.33Å; Y382-F403 AromaticContact CD1-CZ 3.95Å; Y382-F403 HydrophobicContact CD1-CZ 3.95Å; Y382-F403 HydrophobicContact CE1-CE2 4.31Å; Y382-F403 HydrophobicContact CE1-CZ 4.37Å; P383-F403 HydrophobicContact CB-CE1 4.06Å; P383-F403 HydrophobicContact CB-CZ 3.82Å; P383-F403 HydrophobicContact CG-CE1 4.4Å; P383-F403 HydrophobicContact CG-CZ 4.39Å; E401-F403 HydrophobicContact CB-CD1 4.13Å; E401-F403 HydrophobicContact CB-CE1 4Å; E401-F403 PolarHBondContact O-N 2.86Å; F403-V405 VanDerWaalsContact C-N 3.26Å; F403-V405 PolarHBondContact O-N 2.79Å; F403-A406 PolarHBondContact O-N 2.8Å; F403-L407 HydrophobicContact CD2-CD1 3.83Å; F403-L407 HydrophobicContact CD2-CG 4.36Å; F403-L407 HydrophobicContact CE2-CD1 3.59Å; F403-L451 HydrophobicContact CB-CD1 4.41Å; F403-L451 HydrophobicContact CD2-CD1 4.46Å; F403-L452 HydrophobicContact CD1-CD2 3.91Å; F403-L452 HydrophobicContact CD2-CD2 4.34Å; F403-L452 HydrophobicContact CE1-CD2 4.11Å; F403-L452 HydrophobicContact CE2-CD1 4.43Å; F403-L452 HydrophobicContact CG-CD2 4.03Å; F403-L452 HydrophobicContact CZ-CD1 4.47Å; F403-L452 HydrophobicContact CZ-CD2 4.41Å
404	Y	97.9	Very high	98.1	Very high	19 Å²	19	40.8 Å²	40.8	8%	0.075	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64.2	-31.2	-170.2	-81	30.3	0	0	0	112.5	A378 Y382 E401 A406 L407	A378-Y404 HydrophobicContact CB-CE2 4.38Å; Y382-Y404 WeakPolarHBondContact CB-OH 3.39Å; Y382-Y404 HydrophobicContact CD1-CD1 4.16Å; Y382-Y404 AromaticContact CD1-CE1 3.36Å; Y382-Y404 HydrophobicContact CD1-CE1 3.36Å; Y382-Y404 HydrophobicContact CD1-CE2 4.16Å; Y382-Y404 AromaticContact CD1-CZ 3.34Å; Y382-Y404 WeakPolarHBondContact CD1-OH 3.43Å; Y382-Y404 HydrophobicContact CE1-CD1 4.21Å; Y382-Y404 AromaticContact CE1-CE1 3.85Å; Y382-Y404 HydrophobicContact CE1-CE1 3.85Å; Y382-Y404 HydrophobicContact CE1-CE2 4.4Å; Y382-Y404 AromaticContact CE1-CZ 3.94Å; Y382-Y404 HydrophobicContact CG-CE1 4.47Å; E401-Y404 HydrophobicContact CB-CD1 3.8Å; E401-Y404 HydrophobicContact CB-CE1 3.53Å; E401-Y404 HydrophobicContact CG-CD1 4.43Å; E401-Y404 HydrophobicContact CG-CE1 3.69Å; E401-Y404 PolarHBondContact O-N 2.91Å; E401-Y404 WeakPolarHBondContact OE1-CE1 3.07Å; E401-Y404 VanDerWaalsContact OE1-CZ 3.27Å; E401-Y404 PolarHBondContact OE1-OH 3.36Å; Y404-A406 PolarHBondContact O-N 2.94Å; Y404-A406 VanDerWaalsContact O-N 3.13Å; Y404-L407 WeakPolarHBondContact O-CB 3.4Å; Y404-L407 PolarHBondContact O-N 3.24Å
405	V	96.5	Very high	98.1	Very high	69 Å²	69	41.6 Å²	41.6	42%	0.418	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-58.1	-26.3	178.6	69.3	0	0	0	0	113.4	P161 Q162 F403 L407	P161-V405 HydrophobicContact CB-CG1 4.22Å; Q162-V405 HydrophobicContact CB-CG1 3.98Å; F403-V405 VanDerWaalsContact C-N 3.26Å; F403-V405 PolarHBondContact O-N 2.79Å; V405-L407 VanDerWaalsContact C-N 3.32Å
406	A	96.8	Very high	98.1	Very high	40 Å²	40	41.6 Å²	41.6	33%	0.331	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-81.1	-12.8	176.9	0	0	0	0	0	113	F403 Y404 H412 L451	F403-A406 PolarHBondContact O-N 2.8Å; Y404-A406 PolarHBondContact O-N 2.94Å; Y404-A406 VanDerWaalsContact O-N 3.13Å; A406-H412 PolarHBondContact O-CE1 3.28Å; A406-L451 HydrophobicContact CB-CD1 3.55Å; A406-L451 HydrophobicContact CB-CD2 4.24Å
407	L	98.3	Very high	98.2	Very high	13 Å²	13	42 Å²	42	7%	0.068	20%	0.202	C	C	.	.			trans	-94.7	130.7	-175	-60.2	179.3	0	0	0	112.5	Y382 M386 F403 Y404 V405 H412 Y413 T447 L451	Y382-L407 HydrophobicContact CE1-CD1 3.55Å; Y382-L407 WeakPolarHBondContact OH-CD1 3.45Å; M386-L407 HydrophobicContact CE-CD1 4.18Å; M386-L407 HydrophobicContact CE-CD2 4.11Å; F403-L407 HydrophobicContact CD2-CD1 3.83Å; F403-L407 HydrophobicContact CD2-CG 4.36Å; F403-L407 HydrophobicContact CE2-CD1 3.59Å; Y404-L407 WeakPolarHBondContact O-CB 3.4Å; Y404-L407 PolarHBondContact O-N 3.24Å; V405-L407 VanDerWaalsContact C-N 3.32Å; L407-H412 WeakPolarHBondContact CA-ND1 3.19Å; L407-H412 HydrophobicContact CD2-CB 4.11Å; L407-Y413 HydrophobicContact CB-CD1 4.33Å; L407-Y413 HydrophobicContact CB-CE1 3.98Å; L407-T447 HydrophobicContact CD2-CG2 3.72Å; L407-L451 HydrophobicContact CD2-CD1 4.44Å
408	R	98.5	Very high	98.2	Very high	162 Å²	162	45.8 Å²	45.8	61%	0.611	21%	0.214	S	C	*	.			trans	-114.3	131.8	-175.9	-61.9	-177.1	-173.8	-177.4	1.1	111.1	K411 H412	R408-K411 HydrophobicContact CB-CB 4.05Å; R408-K411 PolarHBondContact O-N 3.34Å; R408-H412 PolarHBondContact N-ND1 3.11Å; R408-H412 PolarHBondContact O-N 3.33Å
409	P	98.7	Very high	98.2	Very high	66 Å²	66	48.9 Å²	48.9	43%	0.429	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-60.5	147.1	174.3	27.1	-34.1	0	0	0	110.3	K411 Y413 P415	P409-K411 PolarHBondContact O-N 3.42Å; P409-Y413 HydrophobicContact CB-CE2 3.97Å; P409-P415 HydrophobicContact CB-CB 4.18Å; P409-P415 HydrophobicContact CB-CG 3.79Å
410	W	98.7	Very high	98.2	Very high	105 Å²	105	47.5 Å²	47.5	40%	0.398	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-3.1	-175.8	-58.3	103.9	0	0	0	116.3	Y413 V414 P415 K426 W429 I440	W410-Y413 WeakPolarHBondContact CA-O 3.34Å; W410-Y413 PolarHBondContact N-O 2.94Å; W410-V414 HydrophobicContact CE3-CG2 3.97Å; W410-V414 HydrophobicContact CH2-CG1 3.81Å; W410-V414 HydrophobicContact CZ2-CG1 4.29Å; W410-V414 HydrophobicContact CZ3-CB 4.46Å; W410-V414 HydrophobicContact CZ3-CG1 3.93Å; W410-V414 HydrophobicContact CZ3-CG2 3.83Å; W410-P415 HydrophobicContact CZ2-CG 4.34Å; W410-K426 HydrophobicContact CH2-CD 3.96Å; W410-K426 HydrophobicContact CZ2-CD 4.26Å; W410-W429 HydrophobicContact CE3-CH2 4.15Å; W410-W429 HydrophobicContact CE3-CZ2 4.32Å; W410-W429 HydrophobicContact CE3-CZ3 4.48Å; W410-W429 HydrophobicContact CH2-CD2 4.4Å; W410-W429 HydrophobicContact CH2-CE3 4.45Å; W410-W429 AromaticContact CZ3-CD2 3.98Å; W410-W429 HydrophobicContact CZ3-CD2 3.98Å; W410-W429 AromaticContact CZ3-CE2 3.9Å; W410-W429 AromaticContact CZ3-CE3 3.87Å; W410-W429 HydrophobicContact CZ3-CE3 3.87Å; W410-W429 AromaticContact CZ3-CH2 3.71Å; W410-W429 HydrophobicContact CZ3-CH2 3.71Å; W410-W429 AromaticContact CZ3-CZ2 3.77Å; W410-W429 HydrophobicContact CZ3-CZ2 3.77Å; W410-W429 AromaticContact CZ3-CZ3 3.76Å; W410-W429 HydrophobicContact CZ3-CZ3 3.76Å; W410-I440 HydrophobicContact CE3-CD1 4.33Å
411	K	98.7	Very high	98.2	Very high	95 Å²	95	49.8 Å²	49.8	41%	0.413	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-46.9	169.6	-169.8	-174.9	169.8	-171.9	0	111.6	R408 P409 E443	R408-K411 HydrophobicContact CB-CB 4.05Å; R408-K411 PolarHBondContact O-N 3.34Å; P409-K411 PolarHBondContact O-N 3.42Å; K411-E443 VanDerWaalsContact O-CB 3.28Å; K411-E443 WeakPolarHBondContact O-CB 3.36Å
412	H	98.8	Very high	98.2	Very high	7 Å²	7	50.4 Å²	50.4	3%	0.032	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-21.9	-174.5	-55.2	150.7	0	0	0	113	M386 A406 L407 R408 G444 T447	M386-H412 HydrophobicContact CE-CB 4.16Å; M386-H412 WeakPolarHBondContact CE-O 3.48Å; A406-H412 PolarHBondContact O-CE1 3.28Å; L407-H412 WeakPolarHBondContact CA-ND1 3.19Å; L407-H412 HydrophobicContact CD2-CB 4.11Å; R408-H412 PolarHBondContact N-ND1 3.11Å; R408-H412 PolarHBondContact O-N 3.33Å; H412-G444 WeakPolarHBondContact O-CA 3.45Å; H412-T447 PolarHBondContact NE2-OG1 3.06Å
413	Y	98.9	Very high	98.2	Very high	32 Å²	32	49.9 Å²	49.9	13%	0.125	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-156.2	163.4	179.1	63.8	-92.7	0	0	0	109.5	Y382 V392 K394 L407 P409 W410 P415	Y382-Y413 WeakPolarHBondContact OH-CD1 3.22Å; V392-Y413 WeakPolarHBondContact O-CB 3.49Å; K394-Y413 HydrophobicContact CB-CD2 3.42Å; K394-Y413 VanDerWaalsContact CB-CD2 3.42Å; K394-Y413 HydrophobicContact CB-CE2 3.82Å; K394-Y413 HydrophobicContact CB-CG 4Å; K394-Y413 HydrophobicContact CD-CD2 4.14Å; K394-Y413 HydrophobicContact CD-CE1 4.28Å; K394-Y413 HydrophobicContact CD-CE2 3.86Å; K394-Y413 HydrophobicContact CD-CG 4.46Å; K394-Y413 HydrophobicContact CG-CD2 4.39Å; K394-Y413 HydrophobicContact CG-CE2 4.42Å; L407-Y413 HydrophobicContact CB-CD1 4.33Å; L407-Y413 HydrophobicContact CB-CE1 3.98Å; P409-Y413 HydrophobicContact CB-CE2 3.97Å; W410-Y413 WeakPolarHBondContact CA-O 3.34Å; W410-Y413 PolarHBondContact N-O 2.94Å; Y413-P415 HydrophobicContact CE2-CB 4.12Å
414	V	98.9	Very high	98.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.4	171.9	169.4	0	0	0	0	109	L391 V392 L393 K394 W410 K426 W429 I440	L391-V414 HydrophobicContact CD1-CG2 4.07Å; L391-V414 HydrophobicContact CD2-CG2 4.03Å; L391-V414 HydrophobicContact CG-CG2 4.45Å; V392-V414 PolarHBondContact O-N 3.16Å; L393-V414 CarbonylContact C-O 3.37Å; L393-V414 VanDerWaalsContact CA-O 3.31Å; L393-V414 WeakPolarHBondContact CA-O 3.29Å; L393-V414 HydrophobicContact CD2-CB 3.76Å; L393-V414 HydrophobicContact CD2-CG1 3.62Å; K394-V414 PolarHBondContact N-O 2.99Å; W410-V414 HydrophobicContact CE3-CG2 3.97Å; W410-V414 HydrophobicContact CH2-CG1 3.81Å; W410-V414 HydrophobicContact CZ2-CG1 4.29Å; W410-V414 HydrophobicContact CZ3-CB 4.46Å; W410-V414 HydrophobicContact CZ3-CG1 3.93Å; W410-V414 HydrophobicContact CZ3-CG2 3.83Å; V414-K426 HydrophobicContact CG1-CB 4Å; V414-K426 HydrophobicContact CG1-CD 4.24Å; V414-K426 HydrophobicContact CG1-CG 4.03Å; V414-W429 HydrophobicContact CG2-CE3 4.35Å; V414-W429 HydrophobicContact CG2-CH2 4.39Å; V414-W429 HydrophobicContact CG2-CZ3 3.7Å; V414-I440 HydrophobicContact CG2-CD1 4.15Å
415	P	98.8	Very high	98.3	Very high	31 Å²	31	55.7 Å²	55.7	20%	0.201	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	141	177.4	31.4	-35.6	0	0	0	110.8	K394 P409 W410 Y413	K394-P415 WeakPolarHBondContact O-CA 3.43Å; P409-P415 HydrophobicContact CB-CB 4.18Å; P409-P415 HydrophobicContact CB-CG 3.79Å; W410-P415 HydrophobicContact CZ2-CG 4.34Å; Y413-P415 HydrophobicContact CE2-CB 4.12Å
416	I	98.8	Very high	98.4	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.2	168.2	66.7	-177	0	0	0	108.9	V371 L393 K394 Q395 D396 L420 L423 K426	V371-I416 HydrophobicContact CG1-CD1 3.91Å; L393-I416 HydrophobicContact CB-CG2 4.11Å; L393-I416 HydrophobicContact CD2-CG2 4.19Å; K394-I416 PolarHBondContact O-N 3.48Å; Q395-I416 VanDerWaalsContact CA-CG1 3.47Å; Q395-I416 HydrophobicContact CB-CD1 4.35Å; Q395-I416 HydrophobicContact CB-CG1 4.15Å; D396-I416 WeakPolarHBondContact CB-O 3.15Å; D396-I416 PolarHBondContact N-O 2.91Å; I416-L420 HydrophobicContact CD1-CD2 3.64Å; I416-L420 HydrophobicContact CG1-CD2 4.31Å; I416-L423 HydrophobicContact CD1-CD1 3.95Å; I416-L423 HydrophobicContact CG2-CD1 4.11Å; I416-K426 HydrophobicContact CG2-CB 4.16Å; I416-K426 HydrophobicContact CG2-CG 3.93Å
417	K	98.6	Very high	98.5	Very high	112 Å²	112	51.9 Å²	51.9	49%	0.487	24%	0.244	S	C	.	.			trans	-59.1	149.9	177.7	-73.4	173.5	-179.6	175.4	0	111	N419 L420 S421 D422	K417-N419 PolarHBondContact O-N 3.16Å; K417-L420 PolarHBondContact O-N 3.08Å; K417-S421 VanDerWaalsContact CD-OG 3.26Å; K417-S421 WeakPolarHBondContact CD-OG 3.45Å; K417-D422 WeakPolarHBondContact CB-OD1 3.38Å; K417-D422 HydrophobicContact CD-CB 4.22Å; K417-D422 HydrophobicContact CG-CB 4.49Å; K417-D422 PolarHBondContact N-OD1 3.11Å; K417-D422 PolarHBondContact N-OD2 2.95Å
418	R	97.2	Very high	98.6	Very high	98 Å²	98	56.1 Å²	56.1	37%	0.37	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-41.9	178.7	-168.6	170.4	-175.6	-151.4	7.1	112.8	Q395 D396 L420	Q395-R418 PolarHBondContact NE2-O 3.43Å; D396-R418 WeakPolarHBondContact O-CB 3.47Å; D396-R418 WeakPolarHBondContact O-CG 3.32Å; R418-L420 VanDerWaalsContact C-N 3.27Å; R418-L420 PolarHBondContact O-N 2.79Å
419	N	97.1	Very high	98.6	Very high	93 Å²	93	51.3 Å²	51.3	50%	0.497	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	11.5	178.5	70.5	-5.7	0	0	0	114.7	K417 S421	K417-N419 PolarHBondContact O-N 3.16Å; N419-S421 PolarHBondContact O-N 2.84Å; N419-S421 VanDerWaalsContact OD1-CB 3.28Å; N419-S421 WeakPolarHBondContact OD1-CB 3.32Å; N419-S421 PolarHBondContact OD1-N 2.63Å; N419-S421 VanDerWaalsContact OD1-N 3.16Å; N419-S421 PolarHBondContact OD1-OG 2.87Å
420	L	98.5	Very high	98.6	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	22%	0.223	C	C	.	.			trans	60.6	9	179.4	-48.6	-178.7	0	0	0	116.1	E321 L325 L328 V373 Q395 I416 K417 R418 D422 L423	E321-L420 HydrophobicContact CB-CD1 4.21Å; E321-L420 HydrophobicContact CB-CG 4.43Å; E321-L420 WeakPolarHBondContact O-CD1 3.13Å; L325-L420 HydrophobicContact CB-CD1 3.87Å; L325-L420 HydrophobicContact CD1-CD1 4.31Å; L328-L420 HydrophobicContact CD1-CB 4.17Å; V373-L420 HydrophobicContact CG2-CD2 4.1Å; Q395-L420 HydrophobicContact CG-CD2 4.37Å; I416-L420 HydrophobicContact CD1-CD2 3.64Å; I416-L420 HydrophobicContact CG1-CD2 4.31Å; K417-L420 PolarHBondContact O-N 3.08Å; R418-L420 VanDerWaalsContact C-N 3.27Å; R418-L420 PolarHBondContact O-N 2.79Å; L420-D422 PolarHBondContact O-N 2.96Å; L420-D422 VanDerWaalsContact O-N 3.09Å; L420-L423 HydrophobicContact CB-CB 4.35Å; L420-L423 VanDerWaalsContact O-CB 3.27Å; L420-L423 WeakPolarHBondContact O-CB 3.41Å; L420-L423 PolarHBondContact O-N 3.31Å
421	S	98.3	Very high	98.6	Very high	78 Å²	78	46.1 Å²	46.1	55%	0.545	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.1	-174.1	55.1	0	0	0	0	114.8	K417 N419	K417-S421 VanDerWaalsContact CD-OG 3.26Å; K417-S421 WeakPolarHBondContact CD-OG 3.45Å; N419-S421 PolarHBondContact O-N 2.84Å; N419-S421 VanDerWaalsContact OD1-CB 3.28Å; N419-S421 WeakPolarHBondContact OD1-CB 3.32Å; N419-S421 PolarHBondContact OD1-N 2.63Å; N419-S421 VanDerWaalsContact OD1-N 3.16Å; N419-S421 PolarHBondContact OD1-OG 2.87Å
422	D	98.6	Very high	98.5	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.07	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	4.5	176.6	67.9	-19.6	0	0	0	113.3	K417 L420 L424 E425 K426	K417-D422 WeakPolarHBondContact CB-OD1 3.38Å; K417-D422 HydrophobicContact CD-CB 4.22Å; K417-D422 HydrophobicContact CG-CB 4.49Å; K417-D422 PolarHBondContact N-OD1 3.11Å; K417-D422 PolarHBondContact N-OD2 2.95Å; L420-D422 PolarHBondContact O-N 2.96Å; L420-D422 VanDerWaalsContact O-N 3.09Å; D422-L424 PolarHBondContact O-N 3.19Å; D422-E425 WeakPolarHBondContact O-CB 3.23Å; D422-E425 PolarHBondContact O-N 2.88Å; D422-K426 WeakPolarHBondContact O-CG 3.42Å; D422-K426 PolarHBondContact O-N 3.14Å; D422-K426 WeakPolarHBondContact OD2-CE 3.45Å
423	L	98.8	Very high	98.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-50.3	-175.2	173.6	61.5	0	0	0	111.9	L325 L328 L336 V371 L393 I416 L420 E425 K426 V427	L325-L423 HydrophobicContact CD1-CD2 3.2Å; L328-L423 HydrophobicContact CD1-CD2 4.21Å; L336-L423 HydrophobicContact CD2-CD2 4.27Å; V371-L423 HydrophobicContact CG1-CD1 4.05Å; V371-L423 HydrophobicContact CG1-CD2 4.28Å; V371-L423 HydrophobicContact CG2-CD1 4.14Å; L393-L423 HydrophobicContact CD1-CD1 4.05Å; I416-L423 HydrophobicContact CD1-CD1 3.95Å; I416-L423 HydrophobicContact CG2-CD1 4.11Å; L420-L423 HydrophobicContact CB-CB 4.35Å; L420-L423 VanDerWaalsContact O-CB 3.27Å; L420-L423 WeakPolarHBondContact O-CB 3.41Å; L420-L423 PolarHBondContact O-N 3.31Å; L423-E425 VanDerWaalsContact C-N 3.28Å; L423-E425 PolarHBondContact O-N 3.11Å; L423-K426 PolarHBondContact O-N 3.21Å; L423-K426 VanDerWaalsContact O-N 3.15Å; L423-V427 HydrophobicContact CD1-CG2 4.1Å; L423-V427 HydrophobicContact CG-CG2 4.49Å; L423-V427 WeakPolarHBondContact O-CG2 3.41Å; L423-V427 PolarHBondContact O-N 3.02Å
424	L	98.6	Very high	98.5	Very high	35 Å²	35	51.5 Å²	51.5	18%	0.183	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-33.6	-178.5	-62.1	179.9	0	0	0	112.1	L328 N332 L335 D422 K428	L328-L424 HydrophobicContact CD2-CD1 4.17Å; N332-L424 HydrophobicContact CB-CD1 4.45Å; N332-L424 HydrophobicContact CB-CD2 4.12Å; N332-L424 WeakPolarHBondContact ND2-CD1 3.21Å; L335-L424 HydrophobicContact CD1-CD2 4.43Å; D422-L424 PolarHBondContact O-N 3.19Å; L424-K428 VanDerWaalsContact O-CG 3.31Å; L424-K428 WeakPolarHBondContact O-CG 3.2Å; L424-K428 PolarHBondContact O-N 2.87Å
425	E	98.7	Very high	98.5	Very high	114 Å²	114	57.7 Å²	57.7	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-48.1	172	-177.6	-153.5	120.1	0	0	110.3	D422 L423 V427 K428 W429	D422-E425 WeakPolarHBondContact O-CB 3.23Å; D422-E425 PolarHBondContact O-N 2.88Å; L423-E425 VanDerWaalsContact C-N 3.28Å; L423-E425 PolarHBondContact O-N 3.11Å; E425-V427 VanDerWaalsContact C-N 3.33Å; E425-V427 PolarHBondContact O-N 3.06Å; E425-K428 PolarHBondContact O-N 3.33Å; E425-W429 WeakPolarHBondContact O-CB 3.44Å; E425-W429 PolarHBondContact O-N 2.76Å
426	K	98.8	Very high	98.5	Very high	29 Å²	29	60.1 Å²	60.1	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-35.4	179	-61.7	-40.7	179.3	-159.3	0	113.1	L393 W410 V414 I416 D422 L423 A430	L393-K426 HydrophobicContact CD2-CB 3.9Å; W410-K426 HydrophobicContact CH2-CD 3.96Å; W410-K426 HydrophobicContact CZ2-CD 4.26Å; V414-K426 HydrophobicContact CG1-CB 4Å; V414-K426 HydrophobicContact CG1-CD 4.24Å; V414-K426 HydrophobicContact CG1-CG 4.03Å; I416-K426 HydrophobicContact CG2-CB 4.16Å; I416-K426 HydrophobicContact CG2-CG 3.93Å; D422-K426 WeakPolarHBondContact O-CG 3.42Å; D422-K426 PolarHBondContact O-N 3.14Å; D422-K426 WeakPolarHBondContact OD2-CE 3.45Å; L423-K426 PolarHBondContact O-N 3.21Å; L423-K426 VanDerWaalsContact O-N 3.15Å; K426-A430 WeakPolarHBondContact O-CB 3.35Å; K426-A430 PolarHBondContact O-N 3.05Å
427	V	98.8	Very high	98.5	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-44.5	174	175.7	0	0	0	0	111	A311 L335 Y369 L393 L423 E425 A430 K431	A311-V427 HydrophobicContact CB-CG1 4.23Å; A311-V427 HydrophobicContact CB-CG2 3.58Å; L335-V427 HydrophobicContact CB-CG1 4.24Å; L335-V427 HydrophobicContact CD2-CG1 4.47Å; Y369-V427 HydrophobicContact CD2-CG1 4.29Å; L393-V427 HydrophobicContact CD1-CG2 3.71Å; L423-V427 HydrophobicContact CD1-CG2 4.1Å; L423-V427 HydrophobicContact CG-CG2 4.49Å; L423-V427 WeakPolarHBondContact O-CG2 3.41Å; L423-V427 PolarHBondContact O-N 3.02Å; E425-V427 VanDerWaalsContact C-N 3.33Å; E425-V427 PolarHBondContact O-N 3.06Å; V427-A430 PolarHBondContact O-N 2.86Å; V427-K431 HydrophobicContact CG1-CD 4.42Å; V427-K431 WeakPolarHBondContact O-CG 3.22Å; V427-K431 PolarHBondContact O-N 3.45Å; V427-K431 VanDerWaalsContact O-N 3.13Å
428	K	98.8	Very high	98.5	Very high	102 Å²	102	58.7 Å²	58.7	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-62.4	-45.8	175.9	-72.4	172.9	-176	179	0	111.5	L335 L424 E425 A430 K431 E432	L335-K428 HydrophobicContact CD1-CG 4.11Å; L424-K428 VanDerWaalsContact O-CG 3.31Å; L424-K428 WeakPolarHBondContact O-CG 3.2Å; L424-K428 PolarHBondContact O-N 2.87Å; E425-K428 PolarHBondContact O-N 3.33Å; K428-A430 VanDerWaalsContact C-N 3.3Å; K428-A430 PolarHBondContact O-N 2.86Å; K428-K431 WeakPolarHBondContact O-CB 3.47Å; K428-K431 PolarHBondContact O-N 2.95Å; K428-K431 VanDerWaalsContact O-N 3.1Å; K428-E432 WeakPolarHBondContact O-CG 3.45Å; K428-E432 PolarHBondContact O-N 3.44Å
429	W	98.8	Very high	98.6	Very high	62 Å²	62	59.5 Å²	59.5	24%	0.235	29%	0.286	C	S	.	.	H	α-helix	trans	-54.2	-46.1	174.2	174	86.1	0	0	0	111.8	W410 V414 E425 K431 E432 N433 E436 I440	W410-W429 HydrophobicContact CE3-CH2 4.15Å; W410-W429 HydrophobicContact CE3-CZ2 4.32Å; W410-W429 HydrophobicContact CE3-CZ3 4.48Å; W410-W429 HydrophobicContact CH2-CD2 4.4Å; W410-W429 HydrophobicContact CH2-CE3 4.45Å; W410-W429 AromaticContact CZ3-CD2 3.98Å; W410-W429 HydrophobicContact CZ3-CD2 3.98Å; W410-W429 AromaticContact CZ3-CE2 3.9Å; W410-W429 AromaticContact CZ3-CE3 3.87Å; W410-W429 HydrophobicContact CZ3-CE3 3.87Å; W410-W429 AromaticContact CZ3-CH2 3.71Å; W410-W429 HydrophobicContact CZ3-CH2 3.71Å; W410-W429 AromaticContact CZ3-CZ2 3.77Å; W410-W429 HydrophobicContact CZ3-CZ2 3.77Å; W410-W429 AromaticContact CZ3-CZ3 3.76Å; W410-W429 HydrophobicContact CZ3-CZ3 3.76Å; V414-W429 HydrophobicContact CG2-CE3 4.35Å; V414-W429 HydrophobicContact CG2-CH2 4.39Å; V414-W429 HydrophobicContact CG2-CZ3 3.7Å; E425-W429 WeakPolarHBondContact O-CB 3.44Å; E425-W429 PolarHBondContact O-N 2.76Å; W429-K431 VanDerWaalsContact C-N 3.29Å; W429-K431 PolarHBondContact O-N 3.18Å; W429-E432 PolarHBondContact O-N 3.2Å; W429-N433 VanDerWaalsContact CD1-ND2 3.34Å; W429-N433 HydrophobicContact CZ2-CB 4.2Å; W429-N433 PolarHBondContact NE1-ND2 3.21Å; W429-N433 WeakPolarHBondContact O-CB 3.46Å; W429-N433 PolarHBondContact O-N 3.42Å; W429-N433 PolarHBondContact O-ND2 3.23Å; W429-E436 HydrophobicContact CH2-CG 4.21Å; W429-E436 HydrophobicContact CZ2-CG 4.24Å; W429-I440 HydrophobicContact CH2-CD1 3.74Å; W429-I440 HydrophobicContact CZ3-CD1 4.36Å
430	A	98.7	Very high	98.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67	-28.7	-179.2	0	0	0	0	0	113.3	Y369 L391 K426 V427 K428 A437	Y369-A430 HydrophobicContact CD1-CB 3.97Å; Y369-A430 HydrophobicContact CE1-CB 3.63Å; Y369-A430 PolarHBondContact OH-O 2.89Å; L391-A430 HydrophobicContact CD2-CB 3.82Å; K426-A430 WeakPolarHBondContact O-CB 3.35Å; K426-A430 PolarHBondContact O-N 3.05Å; V427-A430 PolarHBondContact O-N 2.86Å; K428-A430 VanDerWaalsContact C-N 3.3Å; K428-A430 PolarHBondContact O-N 2.86Å; A430-A437 HydrophobicContact CB-CB 4.16Å
431	K	98.4	Very high	98.7	Very high	62 Å²	62	55.4 Å²	55.4	27%	0.27	27%	0.265	S	S	.	.	H	α-helix	trans	-72.9	-42.5	172.9	-68.2	173.6	68.4	79.9	0	111.7	E309 L335 Y369 V427 K428 W429 N433	E309-K431 HydrophobicContact CG-CD 4.42Å; E309-K431 HydrophobicContact CG-CG 3.86Å; E309-K431 PolarHBondContact O-NZ 3.16Å; E309-K431 WeakPolarHBondContact OE2-CE 3.49Å; E309-K431 IonicContact OE2-NZ 2.93Å; E309-K431 PolarHBondContact OE2-NZ 3.38Å; L335-K431 HydrophobicContact CD2-CD 3.83Å; Y369-K431 HydrophobicContact CE2-CG 3.76Å; Y369-K431 WeakPolarHBondContact OH-CA 3.26Å; Y369-K431 WeakPolarHBondContact OH-CG 3.35Å; Y369-K431 PolarHBondContact OH-N 2.86Å; V427-K431 HydrophobicContact CG1-CD 4.42Å; V427-K431 WeakPolarHBondContact O-CG 3.22Å; V427-K431 PolarHBondContact O-N 3.45Å; V427-K431 VanDerWaalsContact O-N 3.13Å; K428-K431 WeakPolarHBondContact O-CB 3.47Å; K428-K431 PolarHBondContact O-N 2.95Å; K428-K431 VanDerWaalsContact O-N 3.1Å; W429-K431 VanDerWaalsContact C-N 3.29Å; W429-K431 PolarHBondContact O-N 3.18Å; K431-N433 VanDerWaalsContact C-N 3.27Å; K431-N433 PolarHBondContact O-N 3.46Å
432	E	98.6	Very high	98.7	Very high	151 Å²	151	54.9 Å²	54.9	71%	0.706	25%	0.252	S	S	*	.	H	α-helix	trans	-73.1	-21.5	-179.7	-69.2	165.8	-172.7	0	0	112.5	K428 W429	K428-E432 WeakPolarHBondContact O-CG 3.45Å; K428-E432 PolarHBondContact O-N 3.44Å; W429-E432 PolarHBondContact O-N 3.2Å
433	N	98.7	Very high	98.7	Very high	64 Å²	64	57.7 Å²	57.7	34%	0.342	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	49.5	-177.1	-59.5	-91.4	0	0	0	111.3	W429 K431 E435 E436 A437	W429-N433 VanDerWaalsContact CD1-ND2 3.34Å; W429-N433 HydrophobicContact CZ2-CB 4.2Å; W429-N433 PolarHBondContact NE1-ND2 3.21Å; W429-N433 WeakPolarHBondContact O-CB 3.46Å; W429-N433 PolarHBondContact O-N 3.42Å; W429-N433 PolarHBondContact O-ND2 3.23Å; K431-N433 VanDerWaalsContact C-N 3.27Å; K431-N433 PolarHBondContact O-N 3.46Å; N433-E435 VanDerWaalsContact C-N 3.34Å; N433-E435 PolarHBondContact O-N 3.24Å; N433-E436 HydrophobicContact CB-CB 4.31Å; N433-E436 PolarHBondContact O-N 3.22Å; N433-E436 VanDerWaalsContact O-N 3.08Å; N433-A437 WeakPolarHBondContact O-CB 3.3Å; N433-A437 PolarHBondContact O-N 3.42Å
434	D	98.7	Very high	98.7	Very high	32 Å²	32	57.8 Å²	57.8	17%	0.171	27%	0.266	C	S	.	.	H	α-helix	trans	-55.6	-41.6	-169.2	-168.1	62.9	0	0	0	114.2	W304 K368 A437 K438	W304-D434 VanDerWaalsContact NE1-CG 3.28Å; W304-D434 PolarHBondContact NE1-OD1 3.48Å; W304-D434 VanDerWaalsContact NE1-OD1 3.09Å; W304-D434 PolarHBondContact NE1-OD2 3.11Å; K368-D434 IonicContact NZ-OD1 3.3Å; K368-D434 PolarHBondContact NZ-OD1 2.9Å; K368-D434 IonicContact NZ-OD2 3.03Å; K368-D434 PolarHBondContact NZ-OD2 2.81Å; D434-A437 PolarHBondContact O-N 3.42Å; D434-K438 VanDerWaalsContact O-CB 3.31Å; D434-K438 WeakPolarHBondContact O-CB 3.33Å; D434-K438 PolarHBondContact O-N 2.96Å
435	E	98.4	Very high	98.6	Very high	130 Å²	130	56.3 Å²	56.3	61%	0.607	26%	0.258	S	S	*	.	H	α-helix	trans	-68.3	-37.9	178.5	-70.3	-58.7	148.9	0	0	112.5	N433 K438 K439	N433-E435 VanDerWaalsContact C-N 3.34Å; N433-E435 PolarHBondContact O-N 3.24Å; E435-K438 PolarHBondContact O-N 2.94Å; E435-K438 IonicContact OE2-NZ 3.9Å; E435-K439 WeakPolarHBondContact O-CB 3.4Å; E435-K439 PolarHBondContact O-N 2.9Å
436	E	98.8	Very high	98.6	Very high	81 Å²	81	54.5 Å²	54.5	38%	0.379	25%	0.251	S	S	.	.	H	α-helix	trans	-70.7	-40	175.5	-169.2	61	-153.5	0	0	110.7	W429 N433 K438 K439 I440	W429-E436 HydrophobicContact CH2-CG 4.21Å; W429-E436 HydrophobicContact CZ2-CG 4.24Å; N433-E436 HydrophobicContact CB-CB 4.31Å; N433-E436 PolarHBondContact O-N 3.22Å; N433-E436 VanDerWaalsContact O-N 3.08Å; E436-K438 VanDerWaalsContact C-N 3.33Å; E436-K438 PolarHBondContact O-N 2.94Å; E436-K439 WeakPolarHBondContact O-CB 3.43Å; E436-K439 PolarHBondContact O-N 3.41Å; E436-K439 IonicContact OE1-NZ 2.71Å; E436-K439 IonicContact OE2-NZ 2.97Å; E436-I440 HydrophobicContact CG-CD1 4.42Å; E436-I440 WeakPolarHBondContact O-CG1 3.41Å; E436-I440 PolarHBondContact O-N 2.81Å
437	A	98.8	Very high	98.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.6	-45.4	172.8	0	0	0	0	0	111.7	W304 L391 A430 N433 D434 I440 A441	W304-A437 HydrophobicContact CH2-CB 4.4Å; W304-A437 HydrophobicContact CZ2-CB 4.19Å; L391-A437 HydrophobicContact CD2-CB 3.84Å; A430-A437 HydrophobicContact CB-CB 4.16Å; N433-A437 WeakPolarHBondContact O-CB 3.3Å; N433-A437 PolarHBondContact O-N 3.42Å; D434-A437 PolarHBondContact O-N 3.42Å; A437-I440 PolarHBondContact O-N 2.92Å; A437-A441 WeakPolarHBondContact O-CB 3.23Å; A437-A441 PolarHBondContact O-N 2.86Å
438	K	98.6	Very high	98.6	Very high	85 Å²	85	54.6 Å²	54.6	37%	0.37	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-40.6	175.6	-175.1	-175.9	178.3	-172.8	0	112.2	W304 D434 E435 E436 A441 K442	W304-K438 HydrophobicContact CB-CD 4.34Å; W304-K438 HydrophobicContact CD2-CB 3.93Å; W304-K438 HydrophobicContact CD2-CD 4.24Å; W304-K438 HydrophobicContact CD2-CG 3.77Å; W304-K438 HydrophobicContact CE3-CB 4.42Å; W304-K438 HydrophobicContact CE3-CG 4.21Å; W304-K438 HydrophobicContact CG-CB 4.37Å; W304-K438 HydrophobicContact CG-CD 3.83Å; W304-K438 HydrophobicContact CG-CG 3.87Å; W304-K438 HydrophobicContact CH2-CB 4.31Å; W304-K438 HydrophobicContact CZ2-CB 3.81Å; D434-K438 VanDerWaalsContact O-CB 3.31Å; D434-K438 WeakPolarHBondContact O-CB 3.33Å; D434-K438 PolarHBondContact O-N 2.96Å; E435-K438 PolarHBondContact O-N 2.94Å; E435-K438 IonicContact OE2-NZ 3.9Å; E436-K438 VanDerWaalsContact C-N 3.33Å; E436-K438 PolarHBondContact O-N 2.94Å; K438-A441 WeakPolarHBondContact O-CB 3.48Å; K438-A441 PolarHBondContact O-N 2.95Å; K438-K442 WeakPolarHBondContact O-CB 3.35Å; K438-K442 PolarHBondContact O-N 2.83Å
439	K	98.7	Very high	98.5	Very high	115 Å²	115	50.2 Å²	50.2	50%	0.5	24%	0.235	S	C	.	.	H	α-helix	trans	-63.4	-48.2	176.6	-177	-174.2	172.8	-164.4	0	111.4	E435 E436 A441 K442 E443	E435-K439 WeakPolarHBondContact O-CB 3.4Å; E435-K439 PolarHBondContact O-N 2.9Å; E436-K439 WeakPolarHBondContact O-CB 3.43Å; E436-K439 PolarHBondContact O-N 3.41Å; E436-K439 IonicContact OE1-NZ 2.71Å; E436-K439 IonicContact OE2-NZ 2.97Å; K439-A441 VanDerWaalsContact C-N 3.32Å; K439-A441 PolarHBondContact O-N 2.98Å; K439-K442 PolarHBondContact O-N 3.46Å; K439-K442 VanDerWaalsContact O-N 3.17Å; K439-E443 WeakPolarHBondContact O-CG 3.09Å; K439-E443 PolarHBondContact O-N 2.89Å
440	I	98.9	Very high	98.4	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-44.5	175.8	-65.3	171.9	0	0	0	110.6	L391 W410 V414 W429 E436 A437 K442 E443 G444	L391-I440 HydrophobicContact CD1-CB 3.88Å; L391-I440 HydrophobicContact CD1-CG2 3.54Å; W410-I440 HydrophobicContact CE3-CD1 4.33Å; V414-I440 HydrophobicContact CG2-CD1 4.15Å; W429-I440 HydrophobicContact CH2-CD1 3.74Å; W429-I440 HydrophobicContact CZ3-CD1 4.36Å; E436-I440 HydrophobicContact CG-CD1 4.42Å; E436-I440 WeakPolarHBondContact O-CG1 3.41Å; E436-I440 PolarHBondContact O-N 2.81Å; A437-I440 PolarHBondContact O-N 2.92Å; I440-K442 VanDerWaalsContact C-N 3.32Å; I440-K442 PolarHBondContact O-N 3.31Å; I440-E443 PolarHBondContact O-N 3.27Å; I440-G444 PolarHBondContact O-N 2.89Å
441	A	98.7	Very high	98.3	Very high	6 Å²	6	52.8 Å²	52.8	5%	0.05	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-45.3	175.7	0	0	0	0	0	111.7	W304 L391 A437 K438 K439 G444 Q445	W304-A441 HydrophobicContact CH2-CB 4.4Å; W304-A441 HydrophobicContact CZ3-CB 3.96Å; L391-A441 HydrophobicContact CB-CB 4.04Å; L391-A441 HydrophobicContact CD1-CB 4.44Å; A437-A441 WeakPolarHBondContact O-CB 3.23Å; A437-A441 PolarHBondContact O-N 2.86Å; K438-A441 WeakPolarHBondContact O-CB 3.48Å; K438-A441 PolarHBondContact O-N 2.95Å; K439-A441 VanDerWaalsContact C-N 3.32Å; K439-A441 PolarHBondContact O-N 2.98Å; A441-G444 PolarHBondContact O-N 2.7Å; A441-Q445 WeakPolarHBondContact O-CB 3.34Å; A441-Q445 PolarHBondContact O-N 3.16Å
442	K	98.2	Very high	98.2	Very high	67 Å²	67	50.1 Å²	50.1	29%	0.291	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-44.7	179.6	-174.6	60.8	178.4	-176.7	0	112.3	D96 K438 K439 I440 Q445 L446	D96-K442 IonicContact OD2-NZ 3.47Å; D96-K442 PolarHBondContact OD2-NZ 2.93Å; K438-K442 WeakPolarHBondContact O-CB 3.35Å; K438-K442 PolarHBondContact O-N 2.83Å; K439-K442 PolarHBondContact O-N 3.46Å; K439-K442 VanDerWaalsContact O-N 3.17Å; I440-K442 VanDerWaalsContact C-N 3.32Å; I440-K442 PolarHBondContact O-N 3.31Å; K442-Q445 VanDerWaalsContact NZ-OE1 3.09Å; K442-Q445 PolarHBondContact O-N 2.86Å; K442-L446 HydrophobicContact CD-CD1 4.47Å; K442-L446 HydrophobicContact CD-CG 4.34Å; K442-L446 HydrophobicContact CG-CD1 4.14Å; K442-L446 HydrophobicContact CG-CG 4.44Å; K442-L446 VanDerWaalsContact O-CG 3.31Å; K442-L446 WeakPolarHBondContact O-CG 3.36Å; K442-L446 PolarHBondContact O-N 3.47Å
443	E	98.7	Very high	98.1	Very high	72 Å²	72	45 Å²	45	34%	0.336	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-42.1	177.6	-72.6	-63.2	132.6	0	0	111.7	K411 K439 I440 L446 T447	K411-E443 VanDerWaalsContact O-CB 3.28Å; K411-E443 WeakPolarHBondContact O-CB 3.36Å; K439-E443 WeakPolarHBondContact O-CG 3.09Å; K439-E443 PolarHBondContact O-N 2.89Å; I440-E443 PolarHBondContact O-N 3.27Å; E443-L446 PolarHBondContact O-N 2.73Å; E443-T447 WeakPolarHBondContact O-CB 3.45Å; E443-T447 PolarHBondContact O-N 3.5Å; E443-T447 PolarHBondContact O-OG1 2.78Å
444	G	98.6	Very high	98	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-46.4	172.7	0	0	0	0	0	112.4	H412 I440 A441 T447 A448	H412-G444 WeakPolarHBondContact O-CA 3.45Å; I440-G444 PolarHBondContact O-N 2.89Å; A441-G444 PolarHBondContact O-N 2.7Å; G444-T447 PolarHBondContact O-N 3.44Å; G444-A448 WeakPolarHBondContact O-CB 3.3Å; G444-A448 PolarHBondContact O-N 2.85Å
445	Q	98.3	Very high	98	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-48.2	176.8	-179.1	-171.4	69.4	0	0	112.8	M386 L387 G388 A441 K442 T447 A448 R449	M386-Q445 WeakPolarHBondContact O-CA 3.26Å; L387-Q445 PolarHBondContact O-NE2 2.88Å; G388-Q445 VanDerWaalsContact C-NE2 3.26Å; G388-Q445 WeakPolarHBondContact O-CB 3.12Å; G388-Q445 VanDerWaalsContact O-CD 3.29Å; G388-Q445 WeakPolarHBondContact O-CG 3.12Å; G388-Q445 PolarHBondContact O-NE2 2.92Å; A441-Q445 WeakPolarHBondContact O-CB 3.34Å; A441-Q445 PolarHBondContact O-N 3.16Å; K442-Q445 VanDerWaalsContact NZ-OE1 3.09Å; K442-Q445 PolarHBondContact O-N 2.86Å; Q445-T447 VanDerWaalsContact C-N 3.3Å; Q445-T447 PolarHBondContact O-N 3.32Å; Q445-A448 PolarHBondContact O-N 3.46Å; Q445-R449 HydrophobicContact CG-CG 4.29Å; Q445-R449 WeakPolarHBondContact O-CB 3.33Å; Q445-R449 VanDerWaalsContact O-CG 3.25Å; Q445-R449 WeakPolarHBondContact O-CG 3.37Å; Q445-R449 PolarHBondContact O-N 2.72Å; Q445-R449 VanDerWaalsContact OE1-NH1 3.14Å
446	L	97.9	Very high	97.9	Very high	75 Å²	75	36.9 Å²	36.9	39%	0.393	18%	0.176	S	C	.	.	H	α-helix	trans	-61.3	-42.9	179.8	-71.5	173.9	0	0	0	111	K442 E443 R449 D450	K442-L446 HydrophobicContact CD-CD1 4.47Å; K442-L446 HydrophobicContact CD-CG 4.34Å; K442-L446 HydrophobicContact CG-CD1 4.14Å; K442-L446 HydrophobicContact CG-CG 4.44Å; K442-L446 VanDerWaalsContact O-CG 3.31Å; K442-L446 WeakPolarHBondContact O-CG 3.36Å; K442-L446 PolarHBondContact O-N 3.47Å; E443-L446 PolarHBondContact O-N 2.73Å; L446-R449 PolarHBondContact O-N 3.3Å; L446-D450 PolarHBondContact O-N 3.26Å; L446-D450 VanDerWaalsContact O-N 3.12Å
447	T	98.4	Very high	97.8	Very high	31 Å²	31	33.4 Å²	33.4	19%	0.19	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-44.4	177.2	-55.3	0	0	0	0	111.6	L407 H412 E443 G444 Q445 D450 L451	L407-T447 HydrophobicContact CD2-CG2 3.72Å; H412-T447 PolarHBondContact NE2-OG1 3.06Å; E443-T447 WeakPolarHBondContact O-CB 3.45Å; E443-T447 PolarHBondContact O-N 3.5Å; E443-T447 PolarHBondContact O-OG1 2.78Å; G444-T447 PolarHBondContact O-N 3.44Å; Q445-T447 VanDerWaalsContact C-N 3.3Å; Q445-T447 PolarHBondContact O-N 3.32Å; T447-D450 PolarHBondContact O-N 2.81Å; T447-L451 HydrophobicContact CG2-CD1 3.69Å; T447-L451 HydrophobicContact CG2-CG 4.3Å; T447-L451 WeakPolarHBondContact O-CG 2.95Å; T447-L451 PolarHBondContact O-N 3.4Å
448	A	98.3	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.5	-39.5	177.6	0	0	0	0	0	112.6	M386 L387 G444 Q445 D450 L451 L452	M386-A448 HydrophobicContact CB-CB 3.64Å; L387-A448 HydrophobicContact CD2-CB 4.28Å; L387-A448 HydrophobicContact CG-CB 4.42Å; G444-A448 WeakPolarHBondContact O-CB 3.3Å; G444-A448 PolarHBondContact O-N 2.85Å; Q445-A448 PolarHBondContact O-N 3.46Å; A448-D450 PolarHBondContact O-N 2.85Å; A448-L451 PolarHBondContact O-N 3.42Å; A448-L452 HydrophobicContact CB-CD1 4.2Å; A448-L452 VanDerWaalsContact O-CB 3.27Å; A448-L452 WeakPolarHBondContact O-CB 3.2Å; A448-L452 WeakPolarHBondContact O-CG 3.35Å; A448-L452 PolarHBondContact O-N 2.6Å
449	R	97.3	Very high	97.8	Very high	10 Å²	10	29.4 Å²	29.4	4%	0.038	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-25.1	174.4	-74.2	177.2	173.4	174.4	-12.1	112.8	R94 D96 Q297 L387 Q445 L446 Q453	R94-R449 VanDerWaalsContact NE-CZ 3.29Å; D96-R449 IonicContact OD2-NH1 2.86Å; D96-R449 PolarHBondContact OD2-NH1 3.34Å; Q297-R449 HydrophobicContact CG-CG 4.15Å; Q297-R449 PolarHBondContact O-NH2 2.94Å; Q297-R449 VanDerWaalsContact O-NH2 3.17Å; L387-R449 HydrophobicContact CD2-CB 4.4Å; L387-R449 HydrophobicContact CD2-CG 3.81Å; Q445-R449 HydrophobicContact CG-CG 4.29Å; Q445-R449 WeakPolarHBondContact O-CB 3.33Å; Q445-R449 VanDerWaalsContact O-CG 3.25Å; Q445-R449 WeakPolarHBondContact O-CG 3.37Å; Q445-R449 PolarHBondContact O-N 2.72Å; Q445-R449 VanDerWaalsContact OE1-NH1 3.14Å; L446-R449 PolarHBondContact O-N 3.3Å; R449-Q453 WeakPolarHBondContact O-CG 3.35Å; R449-Q453 PolarHBondContact O-NE2 2.75Å
450	D	96.3	Very high	97.8	Very high	89 Å²	89	24.2 Å²	24.2	48%	0.476	12%	0.121	S	C	.	.	H	α-helix	trans	-80.8	-49	172.7	-176.3	66.9	0	0	0	111.7	L446 T447 A448 Q453 R456	L446-D450 PolarHBondContact O-N 3.26Å; L446-D450 VanDerWaalsContact O-N 3.12Å; T447-D450 PolarHBondContact O-N 2.81Å; A448-D450 PolarHBondContact O-N 2.85Å; D450-Q453 WeakPolarHBondContact O-CG 3.38Å; D450-R456 WeakPolarHBondContact O-CG 3.4Å
451	L	97	Very high	97.8	Very high	27 Å²	27	24.1 Å²	24.1	14%	0.141	12%	0.12	C	C	.	.	H	α-helix	trans	-73	-33.1	-173.8	-65.4	172.4	0	0	0	114	F403 A406 L407 T447 A448 R456	F403-L451 HydrophobicContact CB-CD1 4.41Å; F403-L451 HydrophobicContact CD2-CD1 4.46Å; A406-L451 HydrophobicContact CB-CD1 3.55Å; A406-L451 HydrophobicContact CB-CD2 4.24Å; L407-L451 HydrophobicContact CD2-CD1 4.44Å; T447-L451 HydrophobicContact CG2-CD1 3.69Å; T447-L451 HydrophobicContact CG2-CG 4.3Å; T447-L451 WeakPolarHBondContact O-CG 2.95Å; T447-L451 PolarHBondContact O-N 3.4Å; A448-L451 PolarHBondContact O-N 3.42Å; L451-R456 WeakPolarHBondContact O-CB 3.43Å
452	L	97.4	Very high	97.8	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.031	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	24.7	-171	-58.2	172.6	0	0	0	113.1	P383 L387 F403 A448	P383-L452 HydrophobicContact CB-CD1 3.48Å; P383-L452 VanDerWaalsContact CB-CD1 3.48Å; P383-L452 HydrophobicContact CB-CD2 4.3Å; L387-L452 HydrophobicContact CD1-CD1 4.06Å; L387-L452 HydrophobicContact CD2-CD1 4.5Å; L387-L452 HydrophobicContact CG-CD1 4.07Å; F403-L452 HydrophobicContact CD1-CD2 3.91Å; F403-L452 HydrophobicContact CD2-CD2 4.34Å; F403-L452 HydrophobicContact CE1-CD2 4.11Å; F403-L452 HydrophobicContact CE2-CD1 4.43Å; F403-L452 HydrophobicContact CG-CD2 4.03Å; F403-L452 HydrophobicContact CZ-CD1 4.47Å; F403-L452 HydrophobicContact CZ-CD2 4.41Å; A448-L452 HydrophobicContact CB-CD1 4.2Å; A448-L452 VanDerWaalsContact O-CB 3.27Å; A448-L452 WeakPolarHBondContact O-CB 3.2Å; A448-L452 WeakPolarHBondContact O-CG 3.35Å; A448-L452 PolarHBondContact O-N 2.6Å
453	Q	96.2	Very high	97.8	Very high	45 Å²	45	22.2 Å²	22.2	21%	0.21	11%	0.11	C	C	.	.			trans	-73.7	143.9	175.3	-62.6	-173	16.9	0	0	111.3	Y48 R449 D450 R456 L457	Y48-Q453 WeakPolarHBondContact OH-CB 3.28Å; Y48-Q453 PolarHBondContact OH-OE1 3.04Å; R449-Q453 WeakPolarHBondContact O-CG 3.35Å; R449-Q453 PolarHBondContact O-NE2 2.75Å; D450-Q453 WeakPolarHBondContact O-CG 3.38Å; Q453-R456 HydrophobicContact CB-CB 4.46Å; Q453-R456 HydrophobicContact CB-CG 4Å; Q453-R456 WeakPolarHBondContact O-CA 3.45Å; Q453-R456 WeakPolarHBondContact O-CB 2.72Å; Q453-R456 PolarHBondContact O-N 2.87Å; Q453-L457 PolarHBondContact O-N 3.22Å; Q453-L457 VanDerWaalsContact O-N 3.09Å
454	P	96.9	Very high	97.8	Very high	6 Å²	6	18.8 Å²	18.8	4%	0.039	9%	0.094	C	C	.	.	H	α-helix	trans	-50	-44.5	176.5	-29.3	34.6	0	0	0	115	L44 Y48 T282 L294 R456 L457 F458	L44-P454 HydrophobicContact CD2-CB 4.34Å; Y48-P454 HydrophobicContact CD1-CG 4.48Å; Y48-P454 HydrophobicContact CE1-CB 4.25Å; Y48-P454 HydrophobicContact CE1-CG 3.84Å; T282-P454 HydrophobicContact CG2-CB 3.72Å; T282-P454 HydrophobicContact CG2-CG 4.16Å; L294-P454 HydrophobicContact CD1-CG 4.34Å; L294-P454 HydrophobicContact CD2-CG 4.24Å; L294-P454 HydrophobicContact CG-CG 4.4Å; P454-R456 PolarHBondContact O-N 2.85Å; P454-L457 WeakPolarHBondContact O-CB 3.25Å; P454-L457 PolarHBondContact O-N 2.98Å; P454-F458 WeakPolarHBondContact O-CD2 3.36Å; P454-F458 PolarHBondContact O-N 2.69Å
455	P	97.3	Very high	97.8	Very high	7 Å²	7	18.9 Å²	18.9	5%	0.045	10%	0.095	C	C	.	.	H	α-helix	trans	-58.9	-41.9	173.7	-24.6	35.6	0	0	0	113.3	P36 L44 Y48 L154 L457 F458 C459	P36-P455 HydrophobicContact CB-CG 4.32Å; P36-P455 HydrophobicContact CG-CG 4.1Å; L44-P455 HydrophobicContact CD1-CG 3.98Å; L44-P455 HydrophobicContact CD2-CG 4.22Å; Y48-P455 WeakPolarHBondContact OH-CD 3.14Å; L154-P455 HydrophobicContact CB-CB 4.22Å; L154-P455 HydrophobicContact CD2-CB 4.34Å; P455-L457 VanDerWaalsContact C-N 3.28Å; P455-L457 PolarHBondContact O-N 3.43Å; P455-F458 PolarHBondContact O-N 3.41Å; P455-C459 WeakPolarHBondContact O-CB 3.21Å; P455-C459 PolarHBondContact O-N 2.92Å; P455-C459 PolarHBondContact O-SG 3.43Å
456	R	96.8	Very high	97.8	Very high	41 Å²	41	21.6 Å²	21.6	16%	0.155	11%	0.107	C	C	.	.	H	α-helix	trans	-61	-40	178.2	-62.9	-79.4	-64.8	105.2	-7.4	110.9	E160 D450 L451 Q453 P454 C459 Y460	E160-R456 IonicContact OE1-CZ 3.58Å; E160-R456 IonicContact OE1-NH1 3.98Å; E160-R456 PolarHBondContact OE1-NH1 3.48Å; E160-R456 IonicContact OE1-NH2 3.75Å; E160-R456 PolarHBondContact OE1-NH2 2.76Å; E160-R456 IonicContact OE2-CZ 3.38Å; E160-R456 IonicContact OE2-NH1 3.16Å; E160-R456 IonicContact OE2-NH2 2.7Å; E160-R456 PolarHBondContact OE2-NH2 2.88Å; D450-R456 WeakPolarHBondContact O-CG 3.4Å; L451-R456 WeakPolarHBondContact O-CB 3.43Å; Q453-R456 HydrophobicContact CB-CB 4.46Å; Q453-R456 HydrophobicContact CB-CG 4Å; Q453-R456 WeakPolarHBondContact O-CA 3.45Å; Q453-R456 WeakPolarHBondContact O-CB 2.72Å; Q453-R456 PolarHBondContact O-N 2.87Å; P454-R456 PolarHBondContact O-N 2.85Å; R456-C459 PolarHBondContact O-N 3.34Å; R456-Y460 WeakPolarHBondContact O-CB 3.44Å; R456-Y460 PolarHBondContact O-N 2.8Å
457	L	97.5	Very high	97.8	Very high	8 Å²	8	19.3 Å²	19.3	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-57.8	-55.3	175.4	-166.7	87.2	0	0	0	111.1	P274 V278 T282 Q453 P454 P455 C459 Y460 Y461	P274-L457 HydrophobicContact CB-CD1 3.24Å; P274-L457 HydrophobicContact CB-CG 4.32Å; P274-L457 HydrophobicContact CG-CD1 3.47Å; P274-L457 VanDerWaalsContact CG-CD1 3.47Å; P274-L457 HydrophobicContact CG-CG 4.22Å; V278-L457 HydrophobicContact CG1-CD1 3.73Å; T282-L457 HydrophobicContact CG2-CD2 3.81Å; Q453-L457 PolarHBondContact O-N 3.22Å; Q453-L457 VanDerWaalsContact O-N 3.09Å; P454-L457 WeakPolarHBondContact O-CB 3.25Å; P454-L457 PolarHBondContact O-N 2.98Å; P455-L457 VanDerWaalsContact C-N 3.28Å; P455-L457 PolarHBondContact O-N 3.43Å; L457-C459 VanDerWaalsContact C-N 3.34Å; L457-C459 PolarHBondContact O-N 2.65Å; L457-Y460 PolarHBondContact O-N 2.52Å; L457-Y460 VanDerWaalsContact O-N 3.16Å; L457-Y461 HydrophobicContact CD1-CE2 4.36Å; L457-Y461 HydrophobicContact CD2-CE2 4.4Å; L457-Y461 HydrophobicContact CG-CD2 4.16Å; L457-Y461 HydrophobicContact CG-CE2 4.07Å; L457-Y461 WeakPolarHBondContact O-CD2 3.05Å; L457-Y461 PolarHBondContact O-N 2.93Å
458	F	98.4	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.9	-43.2	179.2	-76.4	-72.3	0	0	0	112	L44 P45 W150 L154 I221 S224 L225 K228 T282 L283 P454 P455 Y460 Y461 Y462	L44-F458 HydrophobicContact CD2-CD2 3.84Å; L44-F458 HydrophobicContact CD2-CE2 3.94Å; P45-F458 HydrophobicContact CG-CE2 4.16Å; P45-F458 HydrophobicContact CG-CZ 3.93Å; W150-F458 HydrophobicContact CH2-CB 3.96Å; W150-F458 HydrophobicContact CZ2-CB 4.07Å; L154-F458 HydrophobicContact CD1-CB 4.18Å; I221-F458 HydrophobicContact CD1-CD1 3.92Å; I221-F458 HydrophobicContact CD1-CE1 3.52Å; I221-F458 HydrophobicContact CD1-CZ 4.21Å; S224-F458 WeakPolarHBondContact OG-CE1 3.41Å; L225-F458 HydrophobicContact CD2-CB 4.3Å; L225-F458 HydrophobicContact CD2-CD1 3.67Å; L225-F458 HydrophobicContact CD2-CG 4.48Å; L225-F458 HydrophobicContact CG-CD1 4.01Å; K228-F458 HydrophobicContact CD-CD1 4.37Å; K228-F458 HydrophobicContact CD-CE1 4.14Å; K228-F458 HydrophobicContact CD-CZ 4.44Å; T282-F458 HydrophobicContact CG2-CE2 4.28Å; L283-F458 HydrophobicContact CD2-CE1 4.44Å; L283-F458 HydrophobicContact CD2-CZ 3.94Å; P454-F458 WeakPolarHBondContact O-CD2 3.36Å; P454-F458 PolarHBondContact O-N 2.69Å; P455-F458 PolarHBondContact O-N 3.41Å; F458-Y460 VanDerWaalsContact C-N 3.33Å; F458-Y460 PolarHBondContact O-N 3.24Å; F458-Y461 PolarHBondContact O-N 2.98Å; F458-Y462 WeakPolarHBondContact O-CB 3.4Å; F458-Y462 PolarHBondContact O-N 2.81Å
459	C	98.4	Very high	97.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.007	9%	0.094	C	C	.	.	H	α-helix	trans	-59	-43.4	175.1	-67.5	0	0	0	0	112.3	C156 P455 R456 L457 Y462 K463	C156-C459 WeakPolarHBondContact CA-SG 3.27Å; C156-C459 HydrophobicContact CB-CB 3.6Å; C156-C459 WeakPolarHBondContact CB-SG 3.48Å; C156-C459 WeakPolarHBondContact SG-CB 3.44Å; C156-C459 CovalentContact SG-SG 2.02Å; C156-C459 PolarHBondContact SG-SG 2.88Å; P455-C459 WeakPolarHBondContact O-CB 3.21Å; P455-C459 PolarHBondContact O-N 2.92Å; P455-C459 PolarHBondContact O-SG 3.43Å; R456-C459 PolarHBondContact O-N 3.34Å; L457-C459 VanDerWaalsContact C-N 3.34Å; L457-C459 PolarHBondContact O-N 2.65Å; C459-Y462 PolarHBondContact O-N 2.78Å; C459-K463 WeakPolarHBondContact O-CB 3.44Å; C459-K463 WeakPolarHBondContact O-CG 3.28Å; C459-K463 PolarHBondContact O-N 2.69Å
460	Y	98.8	Very high	97.9	Very high	7 Å²	7	22.4 Å²	22.4	3%	0.027	13%	0.125	C	C	.	.	H	α-helix	trans	-63.7	-50.9	-179.6	-170.9	-74.8	0	0	0	110.8	E160 Q162 I163 I272 P274 H402 R456 L457 F458 Y462 K463 V464	E160-Y460 HydrophobicContact CB-CE2 4.5Å; E160-Y460 HydrophobicContact CG-CD2 4.29Å; Q162-Y460 HydrophobicContact CB-CE2 4.32Å; Q162-Y460 VanDerWaalsContact CG-OH 3.28Å; Q162-Y460 WeakPolarHBondContact CG-OH 3.04Å; I163-Y460 HydrophobicContact CD1-CD1 4.13Å; I163-Y460 HydrophobicContact CD1-CD2 3.95Å; I163-Y460 HydrophobicContact CD1-CE1 4.04Å; I163-Y460 HydrophobicContact CD1-CE2 3.88Å; I163-Y460 HydrophobicContact CD1-CG 4.08Å; I163-Y460 HydrophobicContact CG1-CD2 4.22Å; I163-Y460 HydrophobicContact CG1-CE1 3.95Å; I163-Y460 HydrophobicContact CG1-CE2 3.62Å; I163-Y460 VanDerWaalsContact CG1-CZ 3.45Å; I272-Y460 WeakPolarHBondContact O-CE1 3.37Å; I272-Y460 PolarHBondContact O-OH 3.47Å; P274-Y460 HydrophobicContact CG-CD1 4Å; P274-Y460 HydrophobicContact CG-CG 4.46Å; H402-Y460 HydrophobicContact CB-CE1 4.01Å; H402-Y460 HydrophobicContact CB-CE2 4.07Å; R456-Y460 WeakPolarHBondContact O-CB 3.44Å; R456-Y460 PolarHBondContact O-N 2.8Å; L457-Y460 PolarHBondContact O-N 2.52Å; L457-Y460 VanDerWaalsContact O-N 3.16Å; F458-Y460 VanDerWaalsContact C-N 3.33Å; F458-Y460 PolarHBondContact O-N 3.24Å; Y460-Y462 VanDerWaalsContact C-N 3.34Å; Y460-Y462 PolarHBondContact O-N 3.23Å; Y460-K463 PolarHBondContact O-N 3.3Å; Y460-V464 HydrophobicContact CD1-CG2 4.02Å; Y460-V464 HydrophobicContact CE1-CG2 3.65Å; Y460-V464 PolarHBondContact O-N 3.05Å
461	Y	98.8	Very high	98	Very high	3 Å²	3	22.5 Å²	22.5	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-54.1	-51.3	174.8	-90.3	-91.8	0	0	0	111.5	I221 L225 W262 L273 P274 T279 L457 F458 K463 V464 L465	I221-Y461 HydrophobicContact CB-CE1 4.28Å; I221-Y461 HydrophobicContact CD1-CD2 4.48Å; I221-Y461 HydrophobicContact CD1-CE2 4.49Å; I221-Y461 HydrophobicContact CG1-CD1 3.93Å; I221-Y461 HydrophobicContact CG1-CD2 3.95Å; I221-Y461 HydrophobicContact CG1-CE1 3.78Å; I221-Y461 HydrophobicContact CG1-CE2 3.83Å; I221-Y461 HydrophobicContact CG1-CG 4.02Å; I221-Y461 HydrophobicContact CG2-CD1 4.19Å; I221-Y461 HydrophobicContact CG2-CE1 3.5Å; I221-Y461 VanDerWaalsContact CG2-CE1 3.5Å; L225-Y461 HydrophobicContact CD1-CD1 4.38Å; L225-Y461 HydrophobicContact CD1-CG 4.24Å; W262-Y461 WeakPolarHBondContact CZ3-OH 3.25Å; L273-Y461 HydrophobicContact CB-CE1 4.34Å; L273-Y461 HydrophobicContact CD1-CD1 3.99Å; L273-Y461 HydrophobicContact CD1-CE1 3.6Å; L273-Y461 HydrophobicContact CD2-CD1 3.72Å; L273-Y461 HydrophobicContact CD2-CE1 3.94Å; L273-Y461 HydrophobicContact CD2-CG 4.15Å; L273-Y461 HydrophobicContact CG-CD1 4.43Å; L273-Y461 HydrophobicContact CG-CE1 4.19Å; P274-Y461 HydrophobicContact CB-CE2 3.82Å; P274-Y461 HydrophobicContact CG-CD2 3.87Å; P274-Y461 HydrophobicContact CG-CE2 3.53Å; P274-Y461 PolarHBondContact O-OH 2.82Å; T279-Y461 WeakPolarHBondContact OG1-CE2 3.35Å; T279-Y461 PolarHBondContact OG1-OH 3.29Å; L457-Y461 HydrophobicContact CD1-CE2 4.36Å; L457-Y461 HydrophobicContact CD2-CE2 4.4Å; L457-Y461 HydrophobicContact CG-CD2 4.16Å; L457-Y461 HydrophobicContact CG-CE2 4.07Å; L457-Y461 WeakPolarHBondContact O-CD2 3.05Å; L457-Y461 PolarHBondContact O-N 2.93Å; F458-Y461 PolarHBondContact O-N 2.98Å; Y461-K463 VanDerWaalsContact C-N 3.31Å; Y461-K463 PolarHBondContact O-N 3.02Å; Y461-V464 PolarHBondContact O-N 3.14Å; Y461-L465 WeakPolarHBondContact O-CG 3.38Å; Y461-L465 PolarHBondContact O-N 3.48Å
462	Y	98.6	Very high	98	Very high	5 Å²	5	22.5 Å²	22.5	2%	0.02	12%	0.118	C	C	.	.	H	α-helix	trans	-60.6	-41.4	-177.8	-168.7	-106.6	0	0	0	112	P147 W150 Q151 V229 T230 L231 F458 C459 Y460 L465 Q466	P147-Y462 HydrophobicContact CB-CE1 3.91Å; P147-Y462 WeakPolarHBondContact CB-OH 3.3Å; P147-Y462 VanDerWaalsContact CG-OH 3.23Å; P147-Y462 WeakPolarHBondContact CG-OH 3.39Å; W150-Y462 HydrophobicContact CE3-CD1 4.27Å; W150-Y462 HydrophobicContact CE3-CG 4.42Å; W150-Y462 HydrophobicContact CH2-CG 4.32Å; W150-Y462 AromaticContact CZ3-CD1 3.85Å; W150-Y462 HydrophobicContact CZ3-CD1 3.85Å; W150-Y462 HydrophobicContact CZ3-CD2 4.37Å; W150-Y462 AromaticContact CZ3-CG 3.71Å; W150-Y462 HydrophobicContact CZ3-CG 3.71Å; Q151-Y462 HydrophobicContact CG-CD1 4.36Å; Q151-Y462 VanDerWaalsContact NE2-CE1 3.29Å; V229-Y462 HydrophobicContact CB-CE2 4.41Å; V229-Y462 HydrophobicContact CG1-CD2 3.64Å; V229-Y462 HydrophobicContact CG1-CE2 3.59Å; V229-Y462 HydrophobicContact CG1-CG 4.42Å; V229-Y462 HydrophobicContact CG2-CE1 4.48Å; V229-Y462 HydrophobicContact CG2-CE2 3.91Å; T230-Y462 PolarHBondContact O-OH 2.74Å; L231-Y462 HydrophobicContact CD2-CD2 3.81Å; L231-Y462 HydrophobicContact CD2-CE2 3.81Å; F458-Y462 WeakPolarHBondContact O-CB 3.4Å; F458-Y462 PolarHBondContact O-N 2.81Å; C459-Y462 PolarHBondContact O-N 2.78Å; Y460-Y462 VanDerWaalsContact C-N 3.34Å; Y460-Y462 PolarHBondContact O-N 3.23Å; Y462-L465 PolarHBondContact O-N 2.9Å; Y462-Q466 HydrophobicContact CD1-CG 3.9Å; Y462-Q466 HydrophobicContact CE1-CG 3.58Å; Y462-Q466 WeakPolarHBondContact O-CG 3.5Å; Y462-Q466 PolarHBondContact O-N 2.83Å
463	K	98.6	Very high	97.9	Very high	28 Å²	28	25.6 Å²	25.6	12%	0.122	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-38.1	176.2	-79.7	179.7	-179.4	-79.8	0	113.4	P157 A158 E160 I163 C459 Y460 Y461 Q466 K467	P157-K463 WeakPolarHBondContact O-CE 3.16Å; P157-K463 PolarHBondContact O-NZ 2.98Å; A158-K463 PolarHBondContact O-NZ 3.3Å; E160-K463 HydrophobicContact CG-CD 3.6Å; I163-K463 HydrophobicContact CD1-CB 3.64Å; C459-K463 WeakPolarHBondContact O-CB 3.44Å; C459-K463 WeakPolarHBondContact O-CG 3.28Å; C459-K463 PolarHBondContact O-N 2.69Å; Y460-K463 PolarHBondContact O-N 3.3Å; Y461-K463 VanDerWaalsContact C-N 3.31Å; Y461-K463 PolarHBondContact O-N 3.02Å; K463-Q466 PolarHBondContact O-N 3.02Å; K463-K467 VanDerWaalsContact O-CB 3.3Å; K463-K467 WeakPolarHBondContact O-CB 3.01Å; K463-K467 PolarHBondContact O-N 3.12Å
464	V	98.8	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-49	173	170.8	0	0	0	0	109.7	I163 F167 I260 I271 L273 Y460 Y461 Q466 K467 Y468	I163-V464 HydrophobicContact CD1-CG2 3.58Å; I163-V464 HydrophobicContact CG1-CG2 3.79Å; I163-V464 HydrophobicContact CG2-CG2 4.4Å; F167-V464 HydrophobicContact CE2-CG1 4.33Å; F167-V464 HydrophobicContact CZ-CG1 4.4Å; I260-V464 HydrophobicContact CD1-CG1 4.21Å; I271-V464 HydrophobicContact CG2-CG1 3.73Å; L273-V464 HydrophobicContact CD2-CB 3.94Å; L273-V464 HydrophobicContact CD2-CG1 4Å; L273-V464 HydrophobicContact CD2-CG2 3.9Å; Y460-V464 HydrophobicContact CD1-CG2 4.02Å; Y460-V464 HydrophobicContact CE1-CG2 3.65Å; Y460-V464 PolarHBondContact O-N 3.05Å; Y461-V464 PolarHBondContact O-N 3.14Å; V464-Q466 PolarHBondContact O-N 2.77Å; V464-K467 PolarHBondContact O-N 2.95Å; V464-Y468 VanDerWaalsContact O-CB 3.29Å; V464-Y468 WeakPolarHBondContact O-CB 3.43Å; V464-Y468 PolarHBondContact O-N 3.36Å
465	L	98.8	Very high	97.7	Very high	3 Å²	3	34 Å²	34	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-44.8	179	-59.5	177.5	0	0	0	112	L222 L225 L231 P232 L234 F236 Y461 Y462 K467 Y468 A469	L222-L465 HydrophobicContact CD2-CD1 4.02Å; L222-L465 HydrophobicContact CD2-CD2 4.38Å; L225-L465 HydrophobicContact CD1-CD1 4.39Å; L231-L465 HydrophobicContact CD2-CD1 3.93Å; P232-L465 HydrophobicContact CG-CB 4.31Å; L234-L465 HydrophobicContact CD1-CB 4.23Å; L234-L465 HydrophobicContact CD1-CD2 3.89Å; L234-L465 HydrophobicContact CD2-CB 4.46Å; F236-L465 HydrophobicContact CE1-CD2 4.15Å; F236-L465 HydrophobicContact CZ-CD2 4.05Å; Y461-L465 WeakPolarHBondContact O-CG 3.38Å; Y461-L465 PolarHBondContact O-N 3.48Å; Y462-L465 PolarHBondContact O-N 2.9Å; L465-K467 PolarHBondContact O-N 3.19Å; L465-Y468 PolarHBondContact O-N 3.38Å; L465-A469 VanDerWaalsContact O-CB 3.32Å; L465-A469 WeakPolarHBondContact O-CB 3.48Å; L465-A469 PolarHBondContact O-N 2.89Å
466	Q	98.1	Very high	97.7	Very high	62 Å²	62	34.5 Å²	34.5	29%	0.29	19%	0.188	S	C	.	.	H	α-helix	trans	-59.6	-46.3	176.2	-75.8	-170	-52.5	0	0	112.2	P232 Y462 K463 V464 Y468 A469 A470	P232-Q466 HydrophobicContact CG-CG 4.45Å; Y462-Q466 HydrophobicContact CD1-CG 3.9Å; Y462-Q466 HydrophobicContact CE1-CG 3.58Å; Y462-Q466 WeakPolarHBondContact O-CG 3.5Å; Y462-Q466 PolarHBondContact O-N 2.83Å; K463-Q466 PolarHBondContact O-N 3.02Å; V464-Q466 PolarHBondContact O-N 2.77Å; Q466-Y468 VanDerWaalsContact C-N 3.34Å; Q466-A469 PolarHBondContact O-N 2.94Å; Q466-A470 WeakPolarHBondContact O-CB 3.3Å; Q466-A470 PolarHBondContact O-N 3.36Å
467	K	98.3	Very high	97.7	Very high	27 Å²	27	37.9 Å²	37.9	12%	0.117	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-36.7	-178.5	-165.4	169.8	-171.9	176.7	0	111.8	I163 E164 F167 K463 V464 L465 A470 R471	I163-K467 HydrophobicContact CG2-CB 4.46Å; I163-K467 HydrophobicContact CG2-CD 3.63Å; I163-K467 PolarHBondContact O-NZ 3.09Å; I163-K467 VanDerWaalsContact O-NZ 3.12Å; E164-K467 VanDerWaalsContact CA-NZ 3.35Å; E164-K467 IonicContact OE1-NZ 3.18Å; E164-K467 PolarHBondContact OE1-NZ 3.41Å; E164-K467 IonicContact OE2-NZ 3.68Å; E164-K467 PolarHBondContact OE2-NZ 2.83Å; F167-K467 HydrophobicContact CB-CD 3.9Å; F167-K467 VanDerWaalsContact CB-CE 3.48Å; F167-K467 HydrophobicContact CB-CG 4.45Å; F167-K467 HydrophobicContact CD1-CD 4.2Å; F167-K467 HydrophobicContact CD1-CG 3.94Å; F167-K467 HydrophobicContact CD2-CB 4.46Å; F167-K467 HydrophobicContact CD2-CD 3.63Å; F167-K467 HydrophobicContact CD2-CG 4.11Å; F167-K467 HydrophobicContact CE1-CB 4.3Å; F167-K467 HydrophobicContact CE1-CG 4.13Å; F167-K467 HydrophobicContact CE2-CB 4.14Å; F167-K467 HydrophobicContact CE2-CD 4.11Å; F167-K467 HydrophobicContact CE2-CG 4.25Å; F167-K467 HydrophobicContact CG-CD 3.63Å; F167-K467 HydrophobicContact CG-CG 3.9Å; F167-K467 HydrophobicContact CZ-CB 4.03Å; F167-K467 HydrophobicContact CZ-CG 4.25Å; K463-K467 VanDerWaalsContact O-CB 3.3Å; K463-K467 WeakPolarHBondContact O-CB 3.01Å; K463-K467 PolarHBondContact O-N 3.12Å; V464-K467 PolarHBondContact O-N 2.95Å; L465-K467 PolarHBondContact O-N 3.19Å; K467-A470 PolarHBondContact O-N 3.47Å; K467-R471 WeakPolarHBondContact O-CB 3.49Å; K467-R471 WeakPolarHBondContact O-CG 3.28Å; K467-R471 PolarHBondContact O-N 3.27Å
468	Y	98.6	Very high	97.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-51.2	173.2	-158	-68.4	0	0	0	111.2	F167 I173 M178 L234 E235 F236 P258 I260 I271 V464 L465 Q466 A470 R471 Q472	F167-Y468 HydrophobicContact CE1-CD2 4.15Å; F167-Y468 HydrophobicContact CE1-CG 4.4Å; F167-Y468 HydrophobicContact CZ-CD2 4.08Å; F167-Y468 HydrophobicContact CZ-CG 4.44Å; I173-Y468 HydrophobicContact CD1-CD1 3.85Å; I173-Y468 HydrophobicContact CD1-CD2 4.02Å; I173-Y468 HydrophobicContact CD1-CE1 3.75Å; I173-Y468 HydrophobicContact CD1-CE2 3.95Å; I173-Y468 HydrophobicContact CD1-CG 3.97Å; I173-Y468 HydrophobicContact CG2-CE1 4.14Å; M178-Y468 WeakPolarHBondContact CE-OH 3.41Å; M178-Y468 PolarHBondContact SD-OH 3.23Å; L234-Y468 HydrophobicContact CD1-CD1 4.01Å; L234-Y468 HydrophobicContact CD1-CG 4.14Å; E235-Y468 VanDerWaalsContact O-CE1 3.23Å; E235-Y468 WeakPolarHBondContact O-CE1 3.23Å; F236-Y468 HydrophobicContact CB-CD1 4.28Å; F236-Y468 HydrophobicContact CB-CD2 4.44Å; F236-Y468 HydrophobicContact CB-CE1 3.74Å; F236-Y468 HydrophobicContact CB-CE2 3.89Å; P258-Y468 HydrophobicContact CB-CE2 3.98Å; P258-Y468 HydrophobicContact CG-CE2 4.19Å; I260-Y468 HydrophobicContact CD1-CD2 4.44Å; I271-Y468 HydrophobicContact CD1-CD2 3.87Å; I271-Y468 HydrophobicContact CD1-CE2 3.94Å; V464-Y468 VanDerWaalsContact O-CB 3.29Å; V464-Y468 WeakPolarHBondContact O-CB 3.43Å; V464-Y468 PolarHBondContact O-N 3.36Å; L465-Y468 PolarHBondContact O-N 3.38Å; Q466-Y468 VanDerWaalsContact C-N 3.34Å; Y468-A470 VanDerWaalsContact C-N 3.26Å; Y468-A470 PolarHBondContact O-N 2.92Å; Y468-R471 PolarHBondContact O-N 3.43Å; Y468-Q472 PolarHBondContact O-N 3.04Å; Y468-Q472 VanDerWaalsContact O-N 3.15Å
469	A	98.4	Very high	97.7	Very high	22 Å²	22	43.9 Å²	43.9	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-34.7	177.4	0	0	0	0	0	112.7	P232 L234 L465 Q466 R471 Q472	P232-A469 HydrophobicContact CB-CB 3.7Å; P232-A469 HydrophobicContact CG-CB 3.96Å; L234-A469 HydrophobicContact CB-CB 3.99Å; L465-A469 VanDerWaalsContact O-CB 3.32Å; L465-A469 WeakPolarHBondContact O-CB 3.48Å; L465-A469 PolarHBondContact O-N 2.89Å; Q466-A469 PolarHBondContact O-N 2.94Å; A469-R471 VanDerWaalsContact C-N 3.26Å; A469-R471 PolarHBondContact O-N 2.55Å; A469-Q472 WeakPolarHBondContact O-CG 3.5Å
470	A	97.9	Very high	97.5	Very high	83 Å²	83	50.9 Å²	50.9	69%	0.686	27%	0.272	S	S	*	.	H	α-helix	trans	-72.2	-18	176.1	0	0	0	0	0	113.7	Q466 K467 Y468	Q466-A470 WeakPolarHBondContact O-CB 3.3Å; Q466-A470 PolarHBondContact O-N 3.36Å; K467-A470 PolarHBondContact O-N 3.47Å; Y468-A470 VanDerWaalsContact C-N 3.26Å; Y468-A470 PolarHBondContact O-N 2.92Å
471	R	97.9	Very high	97.4	Very high	91 Å²	91	53.8 Å²	53.8	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-104.6	-13	-175.1	-65.4	-77	-175.1	165.5	6.6	113.3	F167 P171 S172 I173 K467 Y468 A469	F167-R471 HydrophobicContact CD1-CG 4.31Å; P171-R471 VanDerWaalsContact CA-NH1 3.27Å; P171-R471 WeakPolarHBondContact O-CD 3.42Å; P171-R471 PolarHBondContact O-NH1 3.38Å; S172-R471 CarbonylContact C-O 3.53Å; S172-R471 WeakPolarHBondContact CA-O 3.47Å; I173-R471 HydrophobicContact CD1-CB 3.8Å; I173-R471 HydrophobicContact CG1-CB 3.9Å; I173-R471 PolarHBondContact N-O 2.95Å; K467-R471 WeakPolarHBondContact O-CB 3.49Å; K467-R471 WeakPolarHBondContact O-CG 3.28Å; K467-R471 PolarHBondContact O-N 3.27Å; Y468-R471 PolarHBondContact O-N 3.43Å; A469-R471 VanDerWaalsContact C-N 3.26Å; A469-R471 PolarHBondContact O-N 2.55Å
472	Q	97.1	Very high	97.3	Very high	28 Å²	28	54.9 Å²	54.9	13%	0.131	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-67.4	133.8	176.1	69.4	-174.7	70.4	0	0	112.3	L175 L234 Y468 A469 S474	L175-Q472 HydrophobicContact CD1-CB 4.49Å; L175-Q472 HydrophobicContact CD2-CB 4.3Å; L175-Q472 HydrophobicContact CG-CB 4.4Å; L234-Q472 VanDerWaalsContact CA-OE1 3.25Å; L234-Q472 VanDerWaalsContact CB-OE1 3.27Å; Y468-Q472 PolarHBondContact O-N 3.04Å; Y468-Q472 VanDerWaalsContact O-N 3.15Å; A469-Q472 WeakPolarHBondContact O-CG 3.5Å; Q472-S474 PolarHBondContact NE2-O 2.85Å
473	A	95.4	Very high	97.3	Very high	71 Å²	71	59.4 Å²	59.4	59%	0.587	33%	0.331	S	S	*	.	S	Bend	trans	-79.2	-20.7	-176.4	0	0	0	0	0	113.6	I173	I173-A473 WeakPolarHBondContact O-CB 3.45Å; I173-A473 PolarHBondContact O-N 2.83Å
474	S	95.1	Very high	97.3	Very high	44 Å²	44	62.3 Å²	62.3	31%	0.308	35%	0.347	S	S	.	.	S	Bend	trans	-132.6	157.5	-176.9	58.9	0	0	0	0	111.4	L175 Q472	L175-S474 WeakPolarHBondContact CD1-O 3.3Å; L175-S474 WeakPolarHBondContact CD1-OG 3.17Å; Q472-S474 PolarHBondContact NE2-O 2.85Å
475	K	95.1	Very high	97.2	Very high	184 Å²	184	62.9 Å²	62.9	80%	0.8	35%	0.35	S	S	*	.			trans	-62	139.3	175.2	-66.9	-170.5	178.3	-175.1	0	110.8
476	P	96.9	Very high	97.1	Very high	17 Å²	17	67.1 Å²	67.1	11%	0.11	38%	0.378	C	S	.	.			trans	-74.1	149.8	177.5	33.6	-27.7	0	0	0	108.9	V199 D233 L234 E235	V199-P476 HydrophobicContact CG2-CG 4.31Å; D233-P476 HydrophobicContact CB-CG 3.76Å; L234-P476 VanDerWaalsContact C-CB 3.5Å; E235-P476 HydrophobicContact CB-CB 3.68Å
477	M	96.8	Very high	96.8	Very high	112 Å²	112	66.9 Å²	66.9	55%	0.552	38%	0.377	S	S	*	.			trans	-138.9	146	178.7	-62.3	177.3	65.7	0	0	110.3	T197 E235 R479	T197-M477 PolarHBondContact OG1-O 3.21Å; E235-M477 PolarHBondContact OE2-N 2.88Å; M477-R479 PolarHBondContact O-N 3.33Å; M477-R479 PolarHBondContact O-NE 3.33Å
478	I	98.1	Very high	96.2	Very high	86 Å²	86	67.9 Å²	67.9	44%	0.441	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-65.9	124.1	170.1	-57.7	167	0	0	0	106.9	T197 H204 M482	T197-I478 HydrophobicContact CG2-CG1 4.29Å; H204-I478 HydrophobicContact CB-CG2 4.43Å; I478-M482 HydrophobicContact CG2-CB 4.1Å; I478-M482 HydrophobicContact CG2-SD 4.42Å
479	R	96.8	Very high	95	Very high	48 Å²	48	75.5 Å²	75.5	18%	0.181	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-97.8	158.5	-176.3	-54.6	-56.7	-177.6	-178.6	-9.3	111.4	L179 E235 M477 G481 M482	L179-R479 HydrophobicContact CD2-CG 4.16Å; E235-R479 WeakPolarHBondContact OE1-CG 3.45Å; E235-R479 IonicContact OE1-CZ 3.72Å; E235-R479 IonicContact OE1-NE 3.8Å; E235-R479 PolarHBondContact OE1-NE 3.48Å; E235-R479 IonicContact OE1-NH2 3.11Å; E235-R479 PolarHBondContact OE1-NH2 2.66Å; E235-R479 IonicContact OE2-CZ 2.65Å; E235-R479 IonicContact OE2-NE 3.45Å; E235-R479 PolarHBondContact OE2-NE 3.3Å; E235-R479 IonicContact OE2-NH2 2.66Å; E235-R479 PolarHBondContact OE2-NH2 3.34Å; M477-R479 PolarHBondContact O-N 3.33Å; M477-R479 PolarHBondContact O-NE 3.33Å; R479-G481 PolarHBondContact O-N 2.91Å; R479-M482 HydrophobicContact CB-CE 4.08Å; R479-M482 HydrophobicContact CB-CG 4.23Å; R479-M482 HydrophobicContact CB-SD 4.1Å; R479-M482 HydrophobicContact CG-CE 4.02Å; R479-M482 HydrophobicContact CG-SD 4.38Å; R479-M482 PolarHBondContact N-SD 3.24Å; R479-M482 VanDerWaalsContact N-SD 3.41Å; R479-M482 VanDerWaalsContact O-CB 3.3Å; R479-M482 WeakPolarHBondContact O-CB 3.3Å; R479-M482 WeakPolarHBondContact O-CG 3.3Å; R479-M482 PolarHBondContact O-N 3.17Å
480	D	95.3	Very high	93.6	Very high	148 Å²	148	77.8 Å²	77.8	79%	0.791	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	133.1	175.7	-64.6	-13.2	0	0	0	111.7	R206 M482	R206-D480 PolarHBondContact NH1-O 3.16Å; D480-M482 VanDerWaalsContact C-N 3.3Å
481	G	95.3	Very high	92	Very high	67 Å²	67	77.3 Å²	77.3	69%	0.691	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	10.6	-177.4	0	0	0	0	0	114.7	R206 R479	R206-G481 WeakPolarHBondContact CG-O 3.3Å; R479-G481 PolarHBondContact O-N 2.91Å
482	M	98.2	Very high	90.4	Very high	26 Å²	26	74.6 Å²	74.6	13%	0.128	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-80	137.1	165.9	-70.5	-172.6	166.7	0	0	111.7	H195 T197 H204 R205 R206 I478 R479 D480	H195-M482 HydrophobicContact CB-CE 4.22Å; H195-M482 WeakPolarHBondContact CE1-CE 3.37Å; H195-M482 VanDerWaalsContact CG-CE 3.47Å; H195-M482 WeakPolarHBondContact ND1-CE 3.48Å; T197-M482 VanDerWaalsContact OG1-CE 3.3Å; T197-M482 WeakPolarHBondContact OG1-CE 3.26Å; T197-M482 PolarHBondContact OG1-SD 2.89Å; H204-M482 HydrophobicContact CB-CB 4.21Å; H204-M482 HydrophobicContact CB-SD 4.23Å; R205-M482 CarbonylContact O-C 3.5Å; R205-M482 WeakPolarHBondContact O-CA 3.19Å; R206-M482 HydrophobicContact CB-CG 3.95Å; I478-M482 HydrophobicContact CG2-CB 4.1Å; I478-M482 HydrophobicContact CG2-SD 4.42Å; R479-M482 HydrophobicContact CB-CE 4.08Å; R479-M482 HydrophobicContact CB-CG 4.23Å; R479-M482 HydrophobicContact CB-SD 4.1Å; R479-M482 HydrophobicContact CG-CE 4.02Å; R479-M482 HydrophobicContact CG-SD 4.38Å; R479-M482 PolarHBondContact N-SD 3.24Å; R479-M482 VanDerWaalsContact N-SD 3.41Å; R479-M482 VanDerWaalsContact O-CB 3.3Å; R479-M482 WeakPolarHBondContact O-CB 3.3Å; R479-M482 WeakPolarHBondContact O-CG 3.3Å; R479-M482 PolarHBondContact O-N 3.17Å; D480-M482 VanDerWaalsContact C-N 3.3Å
483	E	97.9	Very high	88.8	Confident	101 Å²	101	74.6 Å²	74.6	47%	0.472	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	149.3	170.9	64.3	-179.6	-169.2	0	0	110.7	H204 R205	H204-E483 CarbonylContact C-O 3.53Å; H204-E483 WeakPolarHBondContact CA-O 3.4Å; R205-E483 HydrophobicContact CG-CG 3.93Å; R205-E483 IonicContact CZ-OE1 3Å; R205-E483 PolarHBondContact N-O 3.13Å; R205-E483 IonicContact NE-OE1 3.88Å; R205-E483 PolarHBondContact NE-OE1 2.9Å; R205-E483 IonicContact NH2-OE1 2.89Å; R205-E483 PolarHBondContact NH2-OE1 3.24Å; R205-E483 PolarHBondContact O-N 2.62Å
484	L	98.3	Very high	87.7	Confident	89 Å²	89	76.8 Å²	76.8	47%	0.466	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.3	166.9	178.1	69.7	0	0	0	109.1	H202 P486	H202-L484 HydrophobicContact CB-CD1 4.22Å; L484-P486 VanDerWaalsContact O-CD 3.3Å; L484-P486 WeakPolarHBondContact O-CD 3.49Å
485	V	97.9	Very high	87.1	Confident	11 Å²	11	76.3 Å²	76.3	7%	0.067	44%	0.438	C	S	.	.			trans	-92	105.2	168.6	-171.1	0	0	0	0	107.6	I203 R205 D219 L223	I203-V485 HydrophobicContact CB-CB 4.28Å; I203-V485 HydrophobicContact CG2-CB 4.1Å; I203-V485 HydrophobicContact CG2-CG2 3.87Å; I203-V485 PolarHBondContact O-N 3.44Å; R205-V485 HydrophobicContact CB-CG2 4.15Å; R205-V485 HydrophobicContact CG-CG2 3.58Å; D219-V485 HydrophobicContact CB-CG1 4.08Å; L223-V485 HydrophobicContact CD1-CG1 3.89Å; L223-V485 HydrophobicContact CD2-CG1 4.15Å; L223-V485 HydrophobicContact CG-CG1 4.14Å
486	P	95.3	Very high	86.5	Confident	92 Å²	92	73.9 Å²	73.9	60%	0.597	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-74	150.1	-174.7	30.9	-35.3	0	0	0	111.5	L223 L484	L223-P486 WeakPolarHBondContact CD1-O 3.31Å; L484-P486 VanDerWaalsContact O-CD 3.3Å; L484-P486 WeakPolarHBondContact O-CD 3.49Å
487	Q	92.4	Very high	86	Confident	57 Å²	57	75.9 Å²	75.9	27%	0.266	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-62.2	149.6	163.1	-68.6	-67.3	-9.4	0	0	109.8	L223 D489	L223-Q487 HydrophobicContact CD2-CG 4.46Å; L223-Q487 PolarHBondContact O-NE2 3.46Å; Q487-D489 PolarHBondContact O-N 3.07Å
488	P	85.3	Confident	85.3	Confident	49 Å²	49	75.3 Å²	75.3	32%	0.318	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-58.8	127.3	174.8	-21.9	32.8	0	0	0	111.4	S493	P488-S493 WeakPolarHBondContact O-CB 3.47Å; P488-S493 PolarHBondContact O-OG 3.16Å; P488-S493 VanDerWaalsContact O-OG 3.07Å
489	D	74.1	Confident	84.5	Confident	159 Å²	159	73.2 Å²	73.2	85%	0.85	43%	0.426	S	S	*	.			trans	-100.1	28.2	179.3	-168.6	25.5	0	0	0	112	Q487	Q487-D489 PolarHBondContact O-N 3.07Å
490	D	69.3	Low	82.7	Confident	71 Å²	71	80.1 Å²	80.1	38%	0.38	46%	0.457	S	S	.	.	S	Bend	trans	-78	158.3	172.8	72.9	28.1	0	0	0	110.6	T492 S493	D490-T492 PolarHBondContact O-N 3.06Å; D490-T492 WeakPolarHBondContact OD1-CA 3.31Å; D490-T492 VanDerWaalsContact OD1-CB 3.29Å; D490-T492 WeakPolarHBondContact OD1-CB 3.41Å; D490-T492 PolarHBondContact OD1-N 2.04Å; D490-T492 PolarHBondContact OD1-OG1 2.03Å; D490-S493 PolarHBondContact O-N 3.37Å; D490-S493 PolarHBondContact O-OG 3.03Å
491	G	63.3	Low	80.6	Confident	73 Å²	73	83 Å²	83	75%	0.753	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-3.3	-179.3	0	0	0	0	0	115.1
492	T	64.8	Low	77.9	Confident	33 Å²	33	84.1 Å²	84.1	20%	0.202	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.3	174.1	78.3	0	0	0	0	113.7	H137 Y139 D490	H137-T492 PolarHBondContact CE1-O 2.95Å; H137-T492 PolarHBondContact NE2-O 2.79Å; Y139-T492 WeakPolarHBondContact CB-O 3.38Å; Y139-T492 WeakPolarHBondContact CD2-OG1 3.32Å; D490-T492 PolarHBondContact O-N 3.06Å; D490-T492 WeakPolarHBondContact OD1-CA 3.31Å; D490-T492 VanDerWaalsContact OD1-CB 3.29Å; D490-T492 WeakPolarHBondContact OD1-CB 3.41Å; D490-T492 PolarHBondContact OD1-N 2.04Å; D490-T492 PolarHBondContact OD1-OG1 2.03Å
493	S	62.8	Low	75	Confident	28 Å²	28	91.1 Å²	91.1	20%	0.196	48%	0.484	C	S	.	.	S	Bend	trans	-87.8	-12.2	174.4	68.4	0	0	0	0	114.1	Y139 P488 D490 C495	Y139-S493 WeakPolarHBondContact O-CA 3.41Å; P488-S493 WeakPolarHBondContact O-CB 3.47Å; P488-S493 PolarHBondContact O-OG 3.16Å; P488-S493 VanDerWaalsContact O-OG 3.07Å; D490-S493 PolarHBondContact O-N 3.37Å; D490-S493 PolarHBondContact O-OG 3.03Å; S493-C495 PolarHBondContact O-N 3.34Å
494	V	72.3	Confident	72.4	Confident	118 Å²	118	96.4 Å²	96.4	72%	0.715	51%	0.506	S	S	*	.			trans	-61.7	108.8	-179.4	-177.1	0	0	0	0	110.5
495	C	81.9	Confident	69.8	Low	33 Å²	33	99.9 Å²	99.9	22%	0.223	52%	0.52	C	S	.	.			trans	-147.7	153.1	171.7	78.1	0	0	0	0	112	C140 S493	C140-C495 WeakPolarHBondContact CA-SG 3.46Å; C140-C495 HydrophobicContact CB-CB 3.65Å; C140-C495 WeakPolarHBondContact CB-SG 3.42Å; C140-C495 WeakPolarHBondContact SG-CB 3.25Å; C140-C495 CovalentContact SG-SG 2.03Å; C140-C495 PolarHBondContact SG-SG 3.14Å; S493-C495 PolarHBondContact O-N 3.34Å
496	Q	84.3	Confident	67	Low	133 Å²	133	107 Å²	107	62%	0.621	56%	0.557	S	S	*	*			trans	-95.6	115.6	169	-66.5	179.4	-2.7	0	0	109.4	H498	Q496-H498 PolarHBondContact O-CD2 3.07Å; Q496-H498 PolarHBondContact O-NE2 2.96Å
497	C	85.9	Confident	63.9	Low	59 Å²	59	114.6 Å²	114.6	40%	0.399	59%	0.591	S	S	.	*			trans	-75.5	127.6	175	-174.4	0	0	0	0	110.6	C142	C142-C497 WeakPolarHBondContact CA-SG 3.35Å; C142-C497 HydrophobicContact CB-CB 3.55Å; C142-C497 WeakPolarHBondContact CB-SG 3.2Å; C142-C497 WeakPolarHBondContact SG-CA 3.06Å; C142-C497 WeakPolarHBondContact SG-CB 3.35Å; C142-C497 CovalentContact SG-SG 2.04Å; C142-C497 PolarHBondContact SG-SG 2.96Å
498	H	82.7	Confident	62.5	Low	101 Å²	101	117.5 Å²	117.5	47%	0.468	61%	0.607	S	S	.	*			trans	-111.3	0.2	178.9	-61.9	-79.3	0	0	0	111.9	H110 P134 Y136 Q496 K500	H110-H498 AromaticContact CE1-NE2 3.75Å; H110-H498 AromaticContact ND1-CD2 3.74Å; H110-H498 AromaticContact ND1-NE2 3.23Å; H110-H498 PolarHBondContact ND1-NE2 2.96Å; P134-H498 HydrophobicContact CG-CB 4.16Å; Y136-H498 WeakPolarHBondContact OH-CA 3.03Å; Y136-H498 VanDerWaalsContact OH-CB 3.31Å; Y136-H498 WeakPolarHBondContact OH-CB 3.42Å; Y136-H498 PolarHBondContact OH-N 2.86Å; Q496-H498 PolarHBondContact O-CD2 3.07Å; Q496-H498 PolarHBondContact O-NE2 2.96Å; H498-K500 PolarHBondContact O-N 3.29Å
499	R	80.7	Confident	61.3	Low	42 Å²	42	121.1 Å²	121.1	16%	0.158	62%	0.623	C	S	.	*	S	Bend	trans	-71.3	117.3	166.7	-67.7	177.8	163.9	159.3	-9	106.5	C142 P143 E144 K228 R501	C142-R499 WeakPolarHBondContact O-CD 3.34Å; C142-R499 PolarHBondContact O-NH1 2.81Å; P143-R499 VanDerWaalsContact O-CD 3.25Å; P143-R499 WeakPolarHBondContact O-CD 3.37Å; E144-R499 IonicContact OE2-CZ 3.34Å; E144-R499 IonicContact OE2-NE 3.16Å; E144-R499 PolarHBondContact OE2-NE 2.81Å; E144-R499 VanDerWaalsContact OE2-NE 3.16Å; E144-R499 IonicContact OE2-NH2 3.14Å; E144-R499 PolarHBondContact OE2-NH2 2.97Å; K228-R499 PolarHBondContact O-NH1 3.32Å; R499-R501 PolarHBondContact O-N 3.26Å
500	K	58.2	Low	60.6	Low	192 Å²	192	118.9 Å²	118.9	84%	0.835	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-63.9	127.4	178.8	-70	-173.2	175.6	-171.2	0	108.3	H498	H498-K500 PolarHBondContact O-N 3.29Å
501	R	50.9	Low	60.1	Low	210 Å²	210	121.8 Å²	121.8	79%	0.792	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-67	126.7	154.1	-66.7	-177.5	177.2	173	0.4	106.7	E145 R499 E503	E145-R501 VanDerWaalsContact OE1-CA 3.26Å; E145-R501 WeakPolarHBondContact OE1-CA 3.43Å; E145-R501 WeakPolarHBondContact OE1-CG 3.19Å; R499-R501 PolarHBondContact O-N 3.26Å; R501-E503 PolarHBondContact O-N 3.47Å
502	P	40.2	Very low	59.9	Low	89 Å²	89	124.8 Å²	124.8	58%	0.578	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-50.4	126.8	161.9	-17.4	28.2	0	0	0	106.8	E145 K504	E145-P502 WeakPolarHBondContact OE1-CD 3.39Å; E145-P502 WeakPolarHBondContact OE2-CD 3.43Å; E145-P502 VanDerWaalsContact OE2-CG 3.3Å; E145-P502 WeakPolarHBondContact OE2-CG 3.29Å; P502-K504 PolarHBondContact O-N 3.33Å
503	E	36.8	Very low	59.6	Low	174 Å²	174	130.9 Å²	130.9	81%	0.813	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-55.5	129.7	168.3	-75.1	171.5	164	0	0	107	R501 E505	R501-E503 PolarHBondContact O-N 3.47Å; E503-E505 PolarHBondContact O-N 3.23Å
504	K	42.7	Very low	59.3	Low	212 Å²	212	138.3 Å²	138.3	92%	0.922	68%	0.675	S	S	*	*	S	Bend	trans	-72.8	32.3	179.5	-107.4	-172.5	-179.7	-176.3	0	112	P502	P502-K504 PolarHBondContact O-N 3.33Å
505	E	43.1	Very low	58.3	Low	162 Å²	162	139.8 Å²	139.8	76%	0.757	67%	0.672	S	S	*	*			trans	-112.3	127.1	176.6	-74.5	-174.5	160.5	0	0	109.4	E503	E503-E505 PolarHBondContact O-N 3.23Å
506	D	39.2	Very low	56.4	Low	159 Å²	159	148.8 Å²	148.8	85%	0.85	71%	0.709	S	S	*	*			trans	85.3	68.4	174.5	-56.7	-17.8	0	0	0	118.3
507	L	31.9	Very low	53.8	Low	252 Å²	252	150.2 Å²	150.2	100%	1.319	72%	0.717	S	S	*	*			trans	-139.8	0	137.2	-91.8	175.1	0	0	0	111.3

Retrieved 507 of 507 residues in 118.6 ms (Link to these results)

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