A0A090KEY9_HUMAN Loading...

HLA class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A090KEY9, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 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	34	Very low	43.4	Very low	246 Å²	246	146.5 Å²	146.5	100%	1.212	74%	0.738	S	S	*	*				0	100.9	0	-74.5	165.9	171.3	0	0	108
2	R	36.1	Very low	43.5	Very low	246 Å²	246	145.5 Å²	145.5	93%	0.928	74%	0.735	S	S	*	*			trans	-91.5	109.9	171	-100.7	-179.4	174.7	167	-1.6	106.5	M4	R2-M4 PolarHBondContact O-N 3.19Å
3	V	38.5	Very low	43.1	Very low	140 Å²	140	142.2 Å²	142.2	85%	0.848	72%	0.72	S	S	*	*			trans	-74.1	104.6	172.2	179.6	0	0	0	0	106.7	A5	V3-A5 PolarHBondContact O-N 3.26Å
4	M	41.5	Very low	43.1	Very low	178 Å²	178	136.5 Å²	136.5	88%	0.877	70%	0.7	S	S	*	*			trans	-71	106.4	166.6	-98.6	166.8	49.7	0	0	107.5	R2	R2-M4 PolarHBondContact O-N 3.19Å
5	A	45.2	Very low	43	Very low	69 Å²	69	129.9 Å²	129.9	57%	0.57	68%	0.679	S	S	*	*			trans	-63.3	140.7	165	0	0	0	0	0	109.1	V3 R7	V3-A5 PolarHBondContact O-N 3.26Å; A5-R7 PolarHBondContact O-N 2.99Å
6	P	43.6	Very low	42.8	Very low	73 Å²	73	125.1 Å²	125.1	47%	0.474	66%	0.664	S	S	.	*			trans	-69.6	122.6	-177.9	-2.4	17.5	0	0	0	109.1	T8 L9	P6-T8 PolarHBondContact O-N 3.03Å; P6-L9 HydrophobicContact CG-CD1 4.37Å; P6-L9 PolarHBondContact O-N 3.28Å
7	R	50.4	Low	42.3	Very low	222 Å²	222	124.3 Å²	124.3	84%	0.838	66%	0.659	S	S	*	*	H	α-helix	trans	-55.6	-19.2	174.6	-82.7	178	163	146	-5.9	113.5	A5	A5-R7 PolarHBondContact O-N 2.99Å
8	T	49.9	Very low	42.1	Very low	102 Å²	102	120.6 Å²	120.6	63%	0.626	65%	0.649	S	S	*	*	H	α-helix	trans	-70	-28.3	174.2	21.9	0	0	0	0	113.9	P6	P6-T8 PolarHBondContact O-N 3.03Å
9	L	42.3	Very low	41.8	Very low	104 Å²	104	119.3 Å²	119.3	55%	0.545	64%	0.641	S	S	.	*	H	α-helix	trans	-76.2	-29.6	179.6	-124.4	110.5	0	0	0	112.4	P6 L13	P6-L9 HydrophobicContact CG-CD1 4.37Å; P6-L9 PolarHBondContact O-N 3.28Å; L9-L13 PolarHBondContact O-N 3.28Å
10	I	47.8	Very low	41.5	Very low	104 Å²	104	118.2 Å²	118.2	53%	0.533	64%	0.639	S	S	.	*	H	α-helix	trans	-73	-35.4	-178.9	-62.1	173.7	0	0	0	111	S14	I10-S14 PolarHBondContact O-N 3.04Å; I10-S14 PolarHBondContact O-OG 2.67Å
11	L	48.3	Very low	41.3	Very low	127 Å²	127	120.4 Å²	120.4	67%	0.665	65%	0.645	S	S	*	*	H	α-helix	trans	-69.8	-37.8	177	-77.2	163.2	0	0	0	112.7	S14 G15	L11-S14 PolarHBondContact O-N 2.92Å; L11-G15 PolarHBondContact O-N 3.11Å
12	L	44.2	Very low	41.7	Very low	135 Å²	135	113.7 Å²	113.7	71%	0.707	62%	0.618	S	S	*	*	H	α-helix	trans	-65.9	-38.5	175.4	-77.3	163.5	0	0	0	112.3	S14 A16	L12-S14 VanDerWaalsContact C-N 3.33Å; L12-A16 WeakPolarHBondContact O-CB 3.33Å; L12-A16 PolarHBondContact O-N 3.02Å; L12-A16 VanDerWaalsContact O-N 3.11Å
13	L	38.2	Very low	42.4	Very low	102 Å²	102	106 Å²	106	53%	0.534	59%	0.589	S	S	.	*	H	α-helix	trans	-68.7	-31.6	173.6	-78.6	159.2	0	0	0	112.3	L9 L17	L9-L13 PolarHBondContact O-N 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CD1 3.11Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 2.65Å
14	S	43.6	Very low	43.2	Very low	63 Å²	63	101.8 Å²	101.8	44%	0.441	57%	0.568	S	S	.	*	H	α-helix	trans	-71.2	-39.2	176.9	-51.2	0	0	0	0	112	I10 L11 L12 A18	I10-S14 PolarHBondContact O-N 3.04Å; I10-S14 PolarHBondContact O-OG 2.67Å; L11-S14 PolarHBondContact O-N 2.92Å; L12-S14 VanDerWaalsContact C-N 3.33Å; S14-A18 WeakPolarHBondContact O-CB 3.5Å; S14-A18 PolarHBondContact O-N 2.72Å
15	G	41.7	Very low	44.6	Very low	37 Å²	37	96.2 Å²	96.2	38%	0.381	55%	0.547	S	S	.	.	H	α-helix	trans	-67.3	-40.9	174.4	0	0	0	0	0	112.6	L11 A18 L19	L11-G15 PolarHBondContact O-N 3.11Å; G15-A18 PolarHBondContact O-N 2.9Å; G15-L19 WeakPolarHBondContact O-CB 3.25Å; G15-L19 WeakPolarHBondContact O-CD1 3.28Å; G15-L19 PolarHBondContact O-N 2.99Å
16	A	39.1	Very low	46.7	Very low	53 Å²	53	96.3 Å²	96.3	44%	0.438	54%	0.543	S	S	.	.	H	α-helix	trans	-67.5	-39.4	175.9	0	0	0	0	0	112.8	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.33Å; L12-A16 PolarHBondContact O-N 3.02Å; L12-A16 VanDerWaalsContact O-N 3.11Å; A16-L19 PolarHBondContact O-N 3.02Å; A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 3.24Å; A16-T20 VanDerWaalsContact O-N 3.1Å; A16-T20 PolarHBondContact O-OG1 2.98Å
17	L	35	Very low	49.2	Very low	112 Å²	112	94.3 Å²	94.3	59%	0.586	53%	0.527	S	S	*	.	H	α-helix	trans	-68	-39.1	175.7	-79.4	162.2	0	0	0	112.2	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 WeakPolarHBondContact O-CD1 3.11Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 2.65Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.8Å; L17-T20 WeakPolarHBondContact CA-OG1 3.38Å; L17-T20 PolarHBondContact O-N 3.07Å; L17-T20 PolarHBondContact O-OG1 3Å; L17-E21 PolarHBondContact O-N 2.89Å; L17-E21 VanDerWaalsContact O-N 3.14Å
18	A	37.9	Very low	51.4	Low	57 Å²	57	84.6 Å²	84.6	47%	0.471	49%	0.493	S	S	.	.	H	α-helix	trans	-66.4	-31.8	174.5	0	0	0	0	0	112.8	S14 G15 T22	S14-A18 WeakPolarHBondContact O-CB 3.5Å; S14-A18 PolarHBondContact O-N 2.72Å; G15-A18 PolarHBondContact O-N 2.9Å; A18-T22 PolarHBondContact O-OG1 2.9Å
19	L	36.6	Very low	53.7	Low	97 Å²	97	79.8 Å²	79.8	51%	0.508	46%	0.463	S	S	.	.	H	α-helix	trans	-72.2	-31.5	174	-91.8	152.5	0	0	0	112.8	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.25Å; G15-L19 WeakPolarHBondContact O-CD1 3.28Å; G15-L19 PolarHBondContact O-N 2.99Å; A16-L19 PolarHBondContact O-N 3.02Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.8Å; L19-T22 PolarHBondContact O-OG1 3.26Å
20	T	35.8	Very low	56.4	Low	97 Å²	97	77.6 Å²	77.6	60%	0.595	45%	0.45	S	S	*	.	H	α-helix	trans	-81	-26.7	178.1	50.5	0	0	0	0	113.8	A16 L17	A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 3.24Å; A16-T20 VanDerWaalsContact O-N 3.1Å; A16-T20 PolarHBondContact O-OG1 2.98Å; L17-T20 WeakPolarHBondContact CA-OG1 3.38Å; L17-T20 PolarHBondContact O-N 3.07Å; L17-T20 PolarHBondContact O-OG1 3Å
21	E	37.1	Very low	58.8	Low	165 Å²	165	73.2 Å²	73.2	77%	0.771	43%	0.427	S	S	*	.	H	α-helix	trans	-75.5	-23.6	-178.9	-119.1	177.8	-178.5	0	0	113.1	L17 W23	L17-E21 PolarHBondContact O-N 2.89Å; L17-E21 VanDerWaalsContact O-N 3.14Å; E21-W23 VanDerWaalsContact C-N 3.3Å; E21-W23 PolarHBondContact O-N 3.2Å
22	T	42.5	Very low	61.2	Low	104 Å²	104	71 Å²	71	64%	0.638	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.2	-177.6	45.1	0	0	0	0	114.5	A18 L19	A18-T22 PolarHBondContact O-OG1 2.9Å; L19-T22 PolarHBondContact O-OG1 3.26Å
23	W	51.2	Low	63.8	Low	86 Å²	86	65.3 Å²	65.3	33%	0.326	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	17.8	-174.1	-66.2	70.3	0	0	0	113.1	E21 C25 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.3Å; E21-W23 PolarHBondContact O-N 3.2Å; W23-C25 PolarHBondContact O-N 3.39Å; W23-H287 WeakPolarHBondContact CH2-O 3.43Å; W23-H287 VanDerWaalsContact CZ3-O 3.29Å; W23-H287 WeakPolarHBondContact CZ3-O 3.33Å; W23-E288 VanDerWaalsContact CE3-CA 3.4Å; W23-E288 HydrophobicContact CE3-CB 4.18Å; W23-E288 HydrophobicContact CE3-CG 3.93Å; W23-E288 VanDerWaalsContact CH2-CA 3.48Å; W23-E288 HydrophobicContact CZ3-CB 4.27Å; W23-E288 HydrophobicContact CZ3-CG 4.39Å; W23-E288 WeakPolarHBondContact CZ3-O 3.42Å; W23-L290 WeakPolarHBondContact CH2-O 3.42Å; W23-L290 WeakPolarHBondContact CZ3-O 3.44Å
24	A	54.5	Low	66.7	Low	50 Å²	50	62.4 Å²	62.4	41%	0.413	37%	0.368	S	S	.	.	S	Bend	trans	-74.1	100.9	169.7	0	0	0	0	0	106.9	S26 P129	A24-S26 PolarHBondContact O-N 2.95Å; A24-P129 HydrophobicContact CB-CB 4.27Å; A24-P129 HydrophobicContact CB-CG 3.27Å
25	C	70.9	Confident	69.3	Low	62 Å²	62	59.4 Å²	59.4	42%	0.419	35%	0.347	S	S	.	.			trans	-48.4	101.9	-174.1	-61.2	0	0	0	0	111.1	W23 E288	W23-C25 PolarHBondContact O-N 3.39Å; C25-E288 PolarHBondContact SG-OE1 3.04Å
26	S	90.3	Very high	72	Confident	70 Å²	70	59.5 Å²	59.5	49%	0.49	34%	0.34	S	S	.	.			trans	-97.2	143.6	171.1	60.1	0	0	0	0	108.5	A24 L127	A24-S26 PolarHBondContact O-N 2.95Å; S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.38Å; S26-L127 WeakPolarHBondContact CB-O 3.42Å
27	H	95.2	Very high	74.7	Confident	32 Å²	32	58 Å²	58	15%	0.148	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.2	177.8	-67.8	-75.2	0	0	0	110.5	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 2.94Å; H27-D53 IonicContact CE1-OD2 2.67Å; H27-D53 IonicContact CG-OD2 2.8Å; H27-D53 IonicContact ND1-OD1 3.01Å; H27-D53 IonicContact ND1-OD2 3.72Å; H27-D53 PolarHBondContact ND1-OD2 2.83Å; H27-D126 CarbonylContact O-C 3.51Å; H27-D126 WeakPolarHBondContact O-CA 3.06Å; H27-L127 PolarHBondContact N-O 3.2Å; H27-L127 VanDerWaalsContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 3.44Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 2.94Å
28	S	97.3	Very high	77.5	Confident	17 Å²	17	56.3 Å²	56.3	12%	0.119	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.6	179.3	68.1	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.43Å; S28-D53 PolarHBondContact N-OD1 2.86Å; S28-D53 PolarHBondContact O-N 3.06Å; S28-C125 CarbonylContact C-O 3.54Å; S28-C125 WeakPolarHBondContact CA-O 3.35Å; S28-D126 WeakPolarHBondContact CB-OD1 3.3Å
29	M	98.5	Very high	79.9	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121	167.7	-174.9	171.9	61.6	0	0	108.4	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.24Å; M29-Y31 HydrophobicContact CG-CE2 4.13Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; M29-Y51 WeakPolarHBondContact CA-O 3.48Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.36Å; M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; M29-C125 PolarHBondContact N-O 3.48Å; M29-C125 PolarHBondContact O-N 3.18Å; M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.22Å; M29-C188 WeakPolarHBondContact CE-SG 3.46Å; M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.43Å; M29-L192 HydrophobicContact CB-CB 4.04Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.26Å; M29-L192 HydrophobicContact SD-CB 4.4Å; M29-Y195 HydrophobicContact SD-CD2 3.67Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	K	98.6	Very high	82.1	Confident	58 Å²	58	55.8 Å²	55.8	25%	0.252	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133	-176.5	-64.1	177.5	-175.1	166.3	0	110.7	F32 G50 Y51 M122	K30-F32 HydrophobicContact CB-CD2 4.49Å; K30-F32 HydrophobicContact CB-CE2 3.66Å; K30-F32 HydrophobicContact CB-CZ 3.91Å; K30-F32 HydrophobicContact CD-CZ 4.23Å; K30-G50 WeakPolarHBondContact O-CA 3.45Å; K30-Y51 PolarHBondContact N-O 3.28Å; K30-Y51 PolarHBondContact O-N 2.99Å; K30-M122 HydrophobicContact CG-SD 4.43Å
31	Y	98.7	Very high	84.5	Confident	13 Å²	13	61.7 Å²	61.7	5%	0.051	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.5	169	-68.5	-92.1	0	0	0	109.4	M29 F33 V49 F57 V58 M122 C123	M29-Y31 HydrophobicContact CE-CE2 4.24Å; M29-Y31 HydrophobicContact CG-CE2 4.13Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; Y31-F33 HydrophobicContact CD1-CZ 4.48Å; Y31-F33 HydrophobicContact CG-CZ 4.33Å; Y31-V49 WeakPolarHBondContact CA-O 3.43Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE2-CZ 4.49Å; Y31-F57 AromaticContact CZ-CZ 3.7Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.21Å; Y31-V58 HydrophobicContact CD1-CG1 4.48Å; Y31-V58 HydrophobicContact CE1-CG1 3.87Å; Y31-M122 WeakPolarHBondContact O-CA 3.38Å; Y31-C123 PolarHBondContact N-O 3.2Å; Y31-C123 PolarHBondContact O-N 2.92Å; Y31-C123 VanDerWaalsContact O-N 3.11Å
32	F	98.8	Very high	86.6	Confident	81 Å²	81	56.8 Å²	56.8	36%	0.355	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.5	176.2	-56.3	-94.4	0	0	0	108.6	K30 S48 V49 Y51 M122	K30-F32 HydrophobicContact CB-CD2 4.49Å; K30-F32 HydrophobicContact CB-CE2 3.66Å; K30-F32 HydrophobicContact CB-CZ 3.91Å; K30-F32 HydrophobicContact CD-CZ 4.23Å; F32-S48 CarbonylContact O-C 3.57Å; F32-S48 WeakPolarHBondContact O-CA 3.38Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 PolarHBondContact N-O 2.92Å; F32-V49 PolarHBondContact O-N 3.34Å; F32-Y51 HydrophobicContact CD2-CD2 4.2Å; F32-Y51 HydrophobicContact CE2-CD2 4.19Å; F32-M122 HydrophobicContact CD1-CB 4.08Å; F32-M122 HydrophobicContact CD1-CG 3.59Å; F32-M122 HydrophobicContact CE1-CB 4.28Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CG-CG 4.42Å; F32-M122 HydrophobicContact CZ-CG 4.09Å
33	F	98.8	Very high	88.6	Confident	15 Å²	15	57 Å²	57	7%	0.066	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.9	177.2	-51.6	-89.4	0	0	0	108.8	Y31 F46 I47 S48 Y91 Q94 Q120 W121	Y31-F33 HydrophobicContact CD1-CZ 4.48Å; Y31-F33 HydrophobicContact CG-CZ 4.33Å; F33-F46 HydrophobicContact CB-CE2 4.2Å; F33-F46 HydrophobicContact CB-CZ 4.45Å; F33-F46 HydrophobicContact CD1-CE1 4.39Å; F33-F46 HydrophobicContact CD1-CE2 4.05Å; F33-F46 AromaticContact CD1-CZ 3.49Å; F33-F46 HydrophobicContact CD1-CZ 3.49Å; F33-F46 VanDerWaalsContact CD1-CZ 3.49Å; F33-F46 HydrophobicContact CE1-CZ 4.2Å; F33-F46 HydrophobicContact CG-CZ 4.39Å; F33-I47 CarbonylContact C-O 3.55Å; F33-I47 WeakPolarHBondContact CA-O 3.37Å; F33-S48 WeakPolarHBondContact CD1-OG 3.48Å; F33-S48 WeakPolarHBondContact CE1-OG 3.36Å; F33-Y91 AromaticContact CE1-CD1 3.98Å; F33-Y91 HydrophobicContact CE1-CD1 3.98Å; F33-Y91 AromaticContact CE1-CE1 3.95Å; F33-Y91 HydrophobicContact CE1-CE1 3.95Å; F33-Q94 HydrophobicContact CD1-CG 4.43Å; F33-Q120 VanDerWaalsContact O-CA 3.3Å; F33-Q120 WeakPolarHBondContact O-CA 3.37Å; F33-W121 HydrophobicContact CB-CB 4.19Å; F33-W121 HydrophobicContact CB-CE3 4.44Å; F33-W121 HydrophobicContact CD2-CB 4.15Å; F33-W121 AromaticContact CD2-CD2 3.7Å; F33-W121 HydrophobicContact CD2-CD2 3.7Å; F33-W121 AromaticContact CD2-CE3 3.29Å; F33-W121 HydrophobicContact CD2-CE3 3.29Å; F33-W121 HydrophobicContact CD2-CG 4.09Å; F33-W121 AromaticContact CD2-CZ3 3.89Å; F33-W121 HydrophobicContact CD2-CZ3 3.89Å; F33-W121 WeakPolarHBondContact CD2-O 3.39Å; F33-W121 HydrophobicContact CE2-CD2 4.04Å; F33-W121 AromaticContact CE2-CE3 3.55Å; F33-W121 HydrophobicContact CE2-CE3 3.55Å; F33-W121 HydrophobicContact CE2-CH2 4.23Å; F33-W121 AromaticContact CE2-CZ3 3.64Å; F33-W121 HydrophobicContact CE2-CZ3 3.64Å; F33-W121 AromaticContact CG-CE3 3.86Å; F33-W121 HydrophobicContact CG-CE3 3.86Å; F33-W121 HydrophobicContact CG-CZ3 4.47Å; F33-W121 HydrophobicContact CZ-CE3 4.28Å; F33-W121 HydrophobicContact CZ-CZ3 4.03Å; F33-W121 PolarHBondContact N-O 2.63Å; F33-W121 PolarHBondContact O-N 2.86Å
34	T	98.8	Very high	90.5	Very high	41 Å²	41	53.8 Å²	53.8	25%	0.252	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.6	176.7	-58.6	0	0	0	0	109.6	V36 F46 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 4.08Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; T34-I47 PolarHBondContact N-O 2.88Å; T34-I47 PolarHBondContact O-N 3.45Å; T34-T118 HydrophobicContact CG2-CG2 4.04Å; T34-Q120 HydrophobicContact CG2-CG 4.17Å
35	S	98.4	Very high	92.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.4	179.5	-79.5	0	0	0	0	110.3	R45 F46 D98 T118 L119	S35-R45 CarbonylContact C-O 3.52Å; S35-R45 VanDerWaalsContact CA-O 3.31Å; S35-R45 WeakPolarHBondContact CA-O 3.33Å; S35-F46 VanDerWaalsContact OG-CD2 3.27Å; S35-F46 WeakPolarHBondContact OG-CD2 3.48Å; S35-D98 WeakPolarHBondContact CB-OD2 3.33Å; S35-D98 WeakPolarHBondContact OG-CB 3.37Å; S35-D98 PolarHBondContact OG-OD2 3.46Å; S35-T118 CarbonylContact O-C 3.57Å; S35-T118 WeakPolarHBondContact O-CA 3.49Å; S35-L119 PolarHBondContact N-O 2.83Å; S35-L119 PolarHBondContact O-N 2.89Å
36	V	98.1	Very high	93.9	Very high	39 Å²	39	51.7 Å²	51.7	24%	0.236	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.3	-178.1	-173.4	0	0	0	0	109.5	T34 H44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.08Å; V36-H44 CarbonylContact O-C 3.54Å; V36-H44 WeakPolarHBondContact O-CA 3.49Å; V36-H44 WeakPolarHBondContact O-CB 3.36Å; V36-R45 PolarHBondContact N-O 3.01Å; V36-R45 PolarHBondContact O-N 2.9Å; V36-H117 WeakPolarHBondContact CA-O 3.46Å; V36-T118 HydrophobicContact CG2-CG2 4.26Å
37	S	96.4	Very high	94.3	Very high	22 Å²	22	50.5 Å²	50.5	15%	0.154	27%	0.274	C	S	.	.			trans	-68.6	145.4	172.5	74.3	0	0	0	0	110.4	S116 H117	S37-S116 PolarHBondContact O-OG 3.18Å; S37-H117 PolarHBondContact N-O 2.56Å; S37-H117 PolarHBondContact OG-N 3.07Å; S37-H117 PolarHBondContact OG-O 2.97Å
38	R	93.5	Very high	94.4	Very high	75 Å²	75	49 Å²	49	28%	0.283	27%	0.267	S	S	.	.			trans	-137.1	72.1	-175.7	-66.7	174.3	172.6	-178.4	-7.4	111.4	G40 R41 R45 D63	R38-G40 PolarHBondContact O-N 3.14Å; R38-R41 HydrophobicContact CB-CB 4.22Å; R38-R41 PolarHBondContact O-N 3.17Å; R38-R45 VanDerWaalsContact CZ-CB 3.44Å; R38-D63 IonicContact CZ-OD2 3.62Å; R38-D63 IonicContact NH1-OD1 3.87Å; R38-D63 IonicContact NH1-OD2 2.72Å; R38-D63 PolarHBondContact NH1-OD2 3.19Å; R38-D63 IonicContact NH2-OD2 3.71Å
39	P	87.1	Confident	94.5	Very high	54 Å²	54	49.7 Å²	49.7	35%	0.351	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	126.4	-178.5	-24.6	33.6	0	0	0	111.7	R41 E113 G115	P39-R41 VanDerWaalsContact C-N 3.27Å; P39-R41 PolarHBondContact O-N 3.5Å; P39-E113 WeakPolarHBondContact CB-O 3.36Å; P39-E113 VanDerWaalsContact CG-O 3.22Å; P39-E113 WeakPolarHBondContact CG-O 3.19Å; P39-G115 WeakPolarHBondContact CG-O 3.35Å
40	G	83.7	Confident	94.5	Very high	89 Å²	89	49.6 Å²	49.6	92%	0.918	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	3.7	179.8	0	0	0	0	0	116.3	R38	R38-G40 PolarHBondContact O-N 3.14Å
41	R	85.8	Confident	94.5	Very high	221 Å²	221	50.3 Å²	50.3	83%	0.834	27%	0.271	S	S	*	.	S	Bend	trans	-125.5	24.8	-179.5	-58.3	-175.1	-179.2	-169.4	0.5	114	R38 P39	R38-R41 HydrophobicContact CB-CB 4.22Å; R38-R41 PolarHBondContact O-N 3.17Å; P39-R41 VanDerWaalsContact C-N 3.27Å; P39-R41 PolarHBondContact O-N 3.5Å
42	G	81.9	Confident	94.5	Very high	63 Å²	63	49.7 Å²	49.7	65%	0.649	27%	0.269	S	S	*	.	S	Bend	trans	106.5	-159.9	177.6	0	0	0	0	0	113.6
43	E	84.2	Confident	94.3	Very high	108 Å²	108	47.2 Å²	47.2	51%	0.505	26%	0.259	S	S	.	.	S	Bend	trans	-69.5	162.3	172.9	-60.9	-147.5	144.2	0	0	111.1	R99	E43-R99 IonicContact OE1-CZ 3.4Å; E43-R99 IonicContact OE1-NH1 3.58Å; E43-R99 PolarHBondContact OE1-NH1 3.36Å; E43-R99 IonicContact OE1-NH2 2.72Å; E43-R99 PolarHBondContact OE1-NH2 2.95Å; E43-R99 IonicContact OE2-NH1 3.16Å
44	H	91.7	Very high	94.2	Very high	18 Å²	18	49.5 Å²	49.5	8%	0.083	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-56.9	146.3	168.9	74.3	-47.3	0	0	0	110.4	V36 A95 L102	V36-H44 CarbonylContact O-C 3.54Å; V36-H44 WeakPolarHBondContact O-CA 3.49Å; V36-H44 WeakPolarHBondContact O-CB 3.36Å; H44-A95 PolarHBondContact CE1-O 3.42Å; H44-A95 PolarHBondContact NE2-O 3.05Å; H44-L102 HydrophobicContact CB-CD1 4.18Å
45	R	97.2	Very high	94.1	Very high	68 Å²	68	48.9 Å²	48.9	26%	0.257	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.2	170.9	-178.9	179.1	-173.2	-175.8	8.7	109.4	S35 V36 R38 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.52Å; S35-R45 VanDerWaalsContact CA-O 3.31Å; S35-R45 WeakPolarHBondContact CA-O 3.33Å; V36-R45 PolarHBondContact N-O 3.01Å; V36-R45 PolarHBondContact O-N 2.9Å; R38-R45 VanDerWaalsContact CZ-CB 3.44Å; R45-I47 HydrophobicContact CG-CG1 4.15Å; R45-D61 IonicContact CZ-OD1 3.41Å; R45-D61 IonicContact CZ-OD2 3.69Å; R45-D61 IonicContact NE-OD1 2.81Å; R45-D61 PolarHBondContact NE-OD1 3.29Å; R45-D61 IonicContact NE-OD2 3.85Å; R45-D61 IonicContact NH2-OD1 3.68Å; R45-D61 PolarHBondContact NH2-OD1 3.47Å; R45-D61 IonicContact NH2-OD2 2.71Å; R45-D61 PolarHBondContact NH2-OD2 2.93Å; R45-S62 WeakPolarHBondContact CA-OG 3.41Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.19Å; R45-D63 IonicContact NE-OD2 3.75Å
46	F	98.4	Very high	94.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.4	174.6	174.7	-88.4	0	0	0	109.4	F33 T34 S35 F60 S62 Y91 Q94 A95 D98	F33-F46 HydrophobicContact CB-CE2 4.2Å; F33-F46 HydrophobicContact CB-CZ 4.45Å; F33-F46 HydrophobicContact CD1-CE1 4.39Å; F33-F46 HydrophobicContact CD1-CE2 4.05Å; F33-F46 AromaticContact CD1-CZ 3.49Å; F33-F46 HydrophobicContact CD1-CZ 3.49Å; F33-F46 VanDerWaalsContact CD1-CZ 3.49Å; F33-F46 HydrophobicContact CE1-CZ 4.2Å; F33-F46 HydrophobicContact CG-CZ 4.39Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; S35-F46 VanDerWaalsContact OG-CD2 3.27Å; S35-F46 WeakPolarHBondContact OG-CD2 3.48Å; F46-F60 AromaticContact CD1-CD1 3.61Å; F46-F60 HydrophobicContact CD1-CD1 3.61Å; F46-F60 AromaticContact CD1-CE1 3.71Å; F46-F60 HydrophobicContact CD1-CE1 3.71Å; F46-F60 AromaticContact CE1-CD1 3.78Å; F46-F60 HydrophobicContact CE1-CD1 3.78Å; F46-F60 HydrophobicContact CE1-CE1 4.12Å; F46-S62 PolarHBondContact N-OG 3.27Å; F46-S62 PolarHBondContact O-N 3.1Å; F46-S62 PolarHBondContact O-OG 3.38Å; F46-Y91 HydrophobicContact CE1-CD1 4.44Å; F46-Q94 HydrophobicContact CE2-CB 4.07Å; F46-Q94 HydrophobicContact CE2-CG 3.77Å; F46-Q94 HydrophobicContact CZ-CB 3.86Å; F46-Q94 HydrophobicContact CZ-CG 3.91Å; F46-A95 HydrophobicContact CB-CB 3.73Å; F46-A95 HydrophobicContact CD1-CB 3.91Å; F46-A95 HydrophobicContact CD2-CB 3.82Å; F46-A95 HydrophobicContact CE1-CB 4.44Å; F46-A95 HydrophobicContact CE2-CB 4.39Å; F46-A95 HydrophobicContact CG-CB 3.55Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.38Å
47	I	98.6	Very high	94.1	Very high	46 Å²	46	49.7 Å²	49.7	24%	0.236	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.5	174	-58.2	170.7	0	0	0	107.9	F33 T34 R45 V49 F60	F33-I47 CarbonylContact C-O 3.55Å; F33-I47 WeakPolarHBondContact CA-O 3.37Å; T34-I47 PolarHBondContact N-O 2.88Å; T34-I47 PolarHBondContact O-N 3.45Å; R45-I47 HydrophobicContact CG-CG1 4.15Å; I47-V49 HydrophobicContact CG2-CG1 4.45Å; I47-F60 WeakPolarHBondContact CA-O 3.18Å
48	S	98.6	Very high	94.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.1	169	-175.5	0	0	0	0	110.1	F32 F33 R59 F60 Y91	F32-S48 CarbonylContact O-C 3.57Å; F32-S48 WeakPolarHBondContact O-CA 3.38Å; F33-S48 WeakPolarHBondContact CD1-OG 3.48Å; F33-S48 WeakPolarHBondContact CE1-OG 3.36Å; S48-R59 CarbonylContact O-C 3.45Å; S48-R59 VanDerWaalsContact O-CA 3.32Å; S48-R59 WeakPolarHBondContact O-CA 3.4Å; S48-F60 PolarHBondContact N-O 2.92Å; S48-F60 PolarHBondContact O-N 3.03Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.36Å
49	V	98.8	Very high	94.4	Very high	31 Å²	31	49.1 Å²	49.1	19%	0.188	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.8	169.8	-62.5	0	0	0	0	109.7	Y31 F32 I47 Y51 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.43Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 PolarHBondContact N-O 2.92Å; F32-V49 PolarHBondContact O-N 3.34Å; I47-V49 HydrophobicContact CG2-CG1 4.45Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; V49-R59 HydrophobicContact CG1-CG 4.29Å
50	G	98.6	Very high	94.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.7	175.5	0	0	0	0	0	110.9	K30 Q56 F57 V58	K30-G50 WeakPolarHBondContact O-CA 3.45Å; G50-Q56 WeakPolarHBondContact O-CA 3.32Å; G50-F57 WeakPolarHBondContact O-CD1 3.21Å; G50-F57 PolarHBondContact O-N 3.32Å; G50-V58 PolarHBondContact N-O 3.17Å; G50-V58 PolarHBondContact O-N 2.67Å
51	Y	98.6	Very high	95.6	Very high	72 Å²	72	43.3 Å²	43.3	28%	0.282	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142	179.4	-76.4	-102.5	0	0	0	110.3	M29 K30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.48Å; K30-Y51 PolarHBondContact N-O 3.28Å; K30-Y51 PolarHBondContact O-N 2.99Å; F32-Y51 HydrophobicContact CD2-CD2 4.2Å; F32-Y51 HydrophobicContact CE2-CD2 4.19Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.38Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.32Å; Y51-Q56 HydrophobicContact CD2-CG 4.39Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å
52	V	98.2	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.2	156	177.4	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.43Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; V52-D54 PolarHBondContact O-N 2.83Å; V52-T55 PolarHBondContact N-O 3.12Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 2.86Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; V52-W75 HydrophobicContact CB-CH2 4.43Å; V52-W75 HydrophobicContact CB-CZ2 4.49Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.45Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å
53	D	95.8	Very high	96.9	Very high	29 Å²	29	35.3 Å²	35.3	16%	0.155	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-122.7	-167	-53	-39.2	0	0	0	110.5	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 2.94Å; H27-D53 IonicContact CE1-OD2 2.67Å; H27-D53 IonicContact CG-OD2 2.8Å; H27-D53 IonicContact ND1-OD1 3.01Å; H27-D53 IonicContact ND1-OD2 3.72Å; H27-D53 PolarHBondContact ND1-OD2 2.83Å; S28-D53 PolarHBondContact N-OD1 2.86Å; S28-D53 PolarHBondContact O-N 3.06Å
54	D	95.7	Very high	97.4	Very high	63 Å²	63	31.8 Å²	31.8	34%	0.337	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	7.2	179.2	-61.9	-53.8	0	0	0	113.4	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.83Å; D54-Y233 HydrophobicContact CB-CE2 4.03Å; D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.5Å; D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 WeakPolarHBondContact OD2-CB 3.04Å; D54-A235 PolarHBondContact OD2-N 3.2Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.69Å
55	T	96.7	Very high	97.6	Very high	29 Å²	29	36.6 Å²	36.6	18%	0.178	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.6	-176.9	-61.4	0	0	0	0	111.8	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.38Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; V52-T55 PolarHBondContact N-O 3.12Å; V52-T55 WeakPolarHBondContact O-CB 3.42Å; V52-T55 PolarHBondContact O-N 2.86Å; T55-F57 PolarHBondContact O-N 3.27Å; T55-A73 HydrophobicContact CG2-CB 4.45Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 PolarHBondContact OG1-OH 3.19Å; T55-Y233 VanDerWaalsContact OG1-OH 3.05Å
56	Q	97.7	Very high	97.5	Very high	55 Å²	55	37.2 Å²	37.2	26%	0.257	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129	173.1	-167.1	-179.2	6.7	0	0	110.4	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.32Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.32Å; Y51-Q56 HydrophobicContact CD2-CG 4.39Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Q56-V58 PolarHBondContact NE2-O 3.34Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.58Å
57	F	98.1	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-21.3	179.7	75.4	-87.8	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.36Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE2-CZ 4.49Å; Y31-F57 AromaticContact CZ-CZ 3.7Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.21Å; G50-F57 WeakPolarHBondContact O-CD1 3.21Å; G50-F57 PolarHBondContact O-N 3.32Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; T55-F57 PolarHBondContact O-N 3.27Å; F57-R72 PolarHBondContact O-N 3.35Å; F57-A73 HydrophobicContact CB-CB 4.1Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 AromaticContact CD1-CH2 3.97Å; F57-W75 HydrophobicContact CD1-CH2 3.97Å; F57-W75 AromaticContact CD2-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CZ3 4.19Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; F57-V76 HydrophobicContact CB-CG1 4.36Å; F57-V76 HydrophobicContact CD2-CB 4.43Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.12Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.18Å; F57-Y195 HydrophobicContact CE2-CD2 4.42Å; F57-Y195 AromaticContact CE2-CE2 3.74Å; F57-Y195 HydrophobicContact CE2-CE2 3.74Å; F57-Y195 AromaticContact CE2-CZ 3.9Å; F57-Y195 HydrophobicContact CZ-CD2 4.33Å; F57-Y195 AromaticContact CZ-CE2 3.77Å; F57-Y195 HydrophobicContact CZ-CE2 3.77Å
58	V	98.4	Very high	97.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	149.2	179.7	65.1	0	0	0	0	111.9	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CD1-CG1 4.48Å; Y31-V58 HydrophobicContact CE1-CG1 3.87Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; G50-V58 PolarHBondContact N-O 3.17Å; G50-V58 PolarHBondContact O-N 2.67Å; Q56-V58 PolarHBondContact NE2-O 3.34Å; V58-E70 WeakPolarHBondContact CA-O 3.33Å; V58-W84 HydrophobicContact CG2-CZ3 4.02Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.32Å; V58-Y91 HydrophobicContact CG2-CE2 4.28Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.43Å
59	R	98.4	Very high	97.3	Very high	85 Å²	85	44.3 Å²	44.3	32%	0.321	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.3	171.3	179.8	173.4	169.8	174.8	-3.3	111.1	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.45Å; S48-R59 VanDerWaalsContact O-CA 3.32Å; S48-R59 WeakPolarHBondContact O-CA 3.4Å; V49-R59 HydrophobicContact CG1-CG 4.29Å; R59-D61 IonicContact NH2-OD2 3.31Å; R59-D61 PolarHBondContact NH2-OD2 2.96Å; R59-E70 PolarHBondContact N-O 3.46Å; R59-E70 PolarHBondContact O-N 3.28Å; R59-R72 HydrophobicContact CB-CG 3.92Å
60	F	98.7	Very high	97.2	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140	165.6	179.1	-82.6	0	0	0	109.3	F46 I47 S48 P67 R68 T88 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.61Å; F46-F60 HydrophobicContact CD1-CD1 3.61Å; F46-F60 AromaticContact CD1-CE1 3.71Å; F46-F60 HydrophobicContact CD1-CE1 3.71Å; F46-F60 AromaticContact CE1-CD1 3.78Å; F46-F60 HydrophobicContact CE1-CD1 3.78Å; F46-F60 HydrophobicContact CE1-CE1 4.12Å; I47-F60 WeakPolarHBondContact CA-O 3.18Å; S48-F60 PolarHBondContact N-O 2.92Å; S48-F60 PolarHBondContact O-N 3.03Å; F60-P67 HydrophobicContact CE1-CB 4.48Å; F60-P67 HydrophobicContact CE2-CB 3.96Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.46Å; F60-T88 HydrophobicContact CE2-CG2 4.47Å; F60-Y91 HydrophobicContact CB-CD1 4.3Å; F60-Y91 HydrophobicContact CB-CD2 3.62Å; F60-Y91 HydrophobicContact CB-CE2 4.03Å; F60-Y91 HydrophobicContact CB-CG 3.79Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.6Å; F60-Y91 HydrophobicContact CD2-CD2 3.6Å; F60-Y91 AromaticContact CD2-CG 3.88Å; F60-Y91 HydrophobicContact CD2-CG 3.88Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.77Å; F60-Y91 HydrophobicContact CG-CG 3.77Å; F60-K92 HydrophobicContact CE2-CG 4.36Å; F60-K92 HydrophobicContact CZ-CG 4.1Å
61	D	98.4	Very high	97.2	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	120.8	175.9	-162.9	-25.1	0	0	0	109.3	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.41Å; R45-D61 IonicContact CZ-OD2 3.69Å; R45-D61 IonicContact NE-OD1 2.81Å; R45-D61 PolarHBondContact NE-OD1 3.29Å; R45-D61 IonicContact NE-OD2 3.85Å; R45-D61 IonicContact NH2-OD1 3.68Å; R45-D61 PolarHBondContact NH2-OD1 3.47Å; R45-D61 IonicContact NH2-OD2 2.71Å; R45-D61 PolarHBondContact NH2-OD2 2.93Å; R59-D61 IonicContact NH2-OD2 3.31Å; R59-D61 PolarHBondContact NH2-OD2 2.96Å; D61-D63 PolarHBondContact O-N 2.81Å; D61-D63 PolarHBondContact OD1-N 3.03Å; D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.41Å; D61-A64 PolarHBondContact O-N 3.27Å
62	S	97.3	Very high	97.1	Very high	34 Å²	34	49.9 Å²	49.9	24%	0.238	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.5	-179.9	65.1	0	0	0	0	113.3	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.41Å; F46-S62 PolarHBondContact N-OG 3.27Å; F46-S62 PolarHBondContact O-N 3.1Å; F46-S62 PolarHBondContact O-OG 3.38Å; S62-A64 VanDerWaalsContact C-N 3.3Å; S62-P67 WeakPolarHBondContact O-CG 3.27Å
63	D	96.1	Very high	97	Very high	83 Å²	83	50 Å²	50	44%	0.444	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.6	-179.7	-72.7	7.2	0	0	0	112.3	R38 R45 D61	R38-D63 IonicContact CZ-OD2 3.62Å; R38-D63 IonicContact NH1-OD1 3.87Å; R38-D63 IonicContact NH1-OD2 2.72Å; R38-D63 PolarHBondContact NH1-OD2 3.19Å; R38-D63 IonicContact NH2-OD2 3.71Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.19Å; R45-D63 IonicContact NE-OD2 3.75Å; D61-D63 PolarHBondContact O-N 2.81Å; D61-D63 PolarHBondContact OD1-N 3.03Å
64	A	95.8	Very high	97	Very high	34 Å²	34	53.5 Å²	53.5	28%	0.281	30%	0.299	S	S	.	.	S	Bend	trans	-63.5	149.4	174.7	0	0	0	0	0	111	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.41Å; D61-A64 PolarHBondContact O-N 3.27Å; S62-A64 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 3.24Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.23Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.46Å
65	A	95.3	Very high	97	Very high	119 Å²	119	51.2 Å²	51.2	98%	0.983	29%	0.286	S	S	*	.	S	Bend	trans	-58.5	-31.3	179.7	0	0	0	0	0	113.1
66	S	95	Very high	97.1	Very high	81 Å²	81	49.9 Å²	49.9	57%	0.566	28%	0.277	S	S	*	.	S	Bend	trans	-134.3	90.5	171.3	-173.9	0	0	0	0	109.1	A64 R68	A64-S66 PolarHBondContact O-N 3.24Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 3.41Å; S66-R68 VanDerWaalsContact O-N 3.08Å
67	P	96.3	Very high	97	Very high	37 Å²	37	53 Å²	53	24%	0.24	29%	0.292	C	S	.	.			trans	-65	110.6	-175.2	-24.1	35.3	0	0	0	112.1	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.48Å; F60-P67 HydrophobicContact CE2-CB 3.96Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; S62-P67 WeakPolarHBondContact O-CG 3.27Å; A64-P67 VanDerWaalsContact O-CD 3.24Å; A64-P67 WeakPolarHBondContact O-CD 3.23Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.46Å; P67-K92 VanDerWaalsContact O-CE 3.23Å; P67-K92 WeakPolarHBondContact O-CE 3.18Å; P67-K92 PolarHBondContact O-NZ 3.12Å
68	R	97.6	Very high	96.8	Very high	153 Å²	153	59 Å²	59	58%	0.577	32%	0.32	S	S	*	.			trans	-146.1	160.4	177.2	63.8	-176.4	173.9	175.4	-0.1	110.8	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.46Å; S66-R68 PolarHBondContact O-N 3.41Å; S66-R68 VanDerWaalsContact O-N 3.08Å; R68-E70 HydrophobicContact CG-CG 4.35Å; R68-E70 PolarHBondContact O-N 3.44Å; R68-T88 HydrophobicContact CB-CG2 4.19Å
69	G	97.4	Very high	96.7	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	32%	0.322	C	S	.	.			trans	-64.9	129.2	168.5	0	0	0	0	0	109.6	T88	G69-T88 PolarHBondContact N-OG1 2.77Å
70	E	97.7	Very high	96.6	Very high	59 Å²	59	57.1 Å²	57.1	28%	0.276	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.7	-179	-64.8	178.7	161	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.33Å; R59-E70 PolarHBondContact N-O 3.46Å; R59-E70 PolarHBondContact O-N 3.28Å; R68-E70 HydrophobicContact CG-CG 4.35Å; R68-E70 PolarHBondContact O-N 3.44Å; E70-R72 IonicContact OE2-CZ 3.04Å; E70-R72 IonicContact OE2-NH2 3.29Å; E70-R72 PolarHBondContact OE2-NH2 2.95Å
71	P	97.9	Very high	96.5	Very high	47 Å²	47	61.5 Å²	61.5	31%	0.305	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	145.2	173.5	28.6	-34.1	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.77Å; P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.28Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å
72	R	97.4	Very high	96.4	Very high	113 Å²	113	68.5 Å²	68.5	43%	0.426	39%	0.386	S	S	.	.			trans	-127.4	-0.5	175.1	-60.5	-64.7	171.3	178.2	-2.8	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.58Å; F57-R72 PolarHBondContact O-N 3.35Å; R59-R72 HydrophobicContact CB-CG 3.92Å; E70-R72 IonicContact OE2-CZ 3.04Å; E70-R72 IonicContact OE2-NH2 3.29Å; E70-R72 PolarHBondContact OE2-NH2 2.95Å
73	A	96.1	Very high	96.4	Very high	4 Å²	4	67.3 Å²	67.3	3%	0.033	38%	0.376	C	S	.	.	S	Bend	trans	-137.9	143.7	173.4	0	0	0	0	0	110.9	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.45Å; F57-A73 HydrophobicContact CB-CB 4.1Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 2.95Å; A73-V76 VanDerWaalsContact O-CG1 3.22Å; A73-V76 WeakPolarHBondContact O-CG1 2.75Å; A73-V76 PolarHBondContact O-N 2.88Å
74	P	96.1	Very high	96.5	Very high	102 Å²	102	65.1 Å²	65.1	66%	0.662	36%	0.362	S	S	*	.	H	α-helix	trans	-58.2	-37.9	-177.3	-26.9	35.1	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 3Å; P74-E77 WeakPolarHBondContact O-CB 2.97Å; P74-E77 PolarHBondContact O-N 2.79Å; P74-E77 VanDerWaalsContact O-N 3.09Å
75	W	95.8	Very high	96.6	Very high	15 Å²	15	68.7 Å²	68.7	6%	0.057	38%	0.376	C	S	.	.	H	α-helix	trans	-69.7	-13.8	-176.1	53.5	-106.5	0	0	0	114.6	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.43Å; V52-W75 HydrophobicContact CB-CZ2 4.49Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 AromaticContact CD1-CH2 3.97Å; F57-W75 HydrophobicContact CD1-CH2 3.97Å; F57-W75 AromaticContact CD2-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CH2 3.93Å; F57-W75 HydrophobicContact CD2-CZ3 4.19Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.14Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 2.95Å; W75-Q78 WeakPolarHBondContact O-CG 3.21Å; W75-Q78 PolarHBondContact O-NE2 2.03Å; W75-Y195 HydrophobicContact CE3-CD1 4.25Å; W75-Y195 HydrophobicContact CH2-CG 4.14Å; W75-Y195 AromaticContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD2 4.32Å; W75-Y195 HydrophobicContact CZ3-CE1 4.29Å; W75-Y195 AromaticContact CZ3-CG 3.6Å; W75-Y195 HydrophobicContact CZ3-CG 3.6Å; W75-N198 HydrophobicContact CB-CB 4.45Å; W75-T202 VanDerWaalsContact CD1-OG1 3.22Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.4Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.13Å; W75-L203 HydrophobicContact CZ2-CG 4.41Å
76	V	97.1	Very high	96.7	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-94.5	-16.1	172.6	73.2	0	0	0	0	112.1	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.36Å; F57-V76 HydrophobicContact CD2-CB 4.43Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.12Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.18Å; P71-V76 HydrophobicContact CB-CG1 3.77Å; A73-V76 VanDerWaalsContact O-CG1 3.22Å; A73-V76 WeakPolarHBondContact O-CG1 2.75Å; A73-V76 PolarHBondContact O-N 2.88Å; P74-V76 PolarHBondContact O-N 3Å; V76-Q78 PolarHBondContact O-N 2.78Å; V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.43Å; V76-E79 WeakPolarHBondContact O-CG 3.4Å; V76-E79 PolarHBondContact O-N 3.34Å; V76-Y83 HydrophobicContact CG2-CE1 4.16Å; V76-W84 HydrophobicContact CG1-CH2 4.05Å; V76-W84 HydrophobicContact CG1-CZ2 4.27Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.29Å; V76-Y195 HydrophobicContact CG2-CE1 4.35Å
77	E	95.5	Very high	96.8	Very high	122 Å²	122	64.5 Å²	64.5	57%	0.57	32%	0.323	S	S	*	.	H	α-helix	trans	-63.6	-25.4	179.7	-65.1	-177.9	-179	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P74-E77 WeakPolarHBondContact O-CB 2.97Å; P74-E77 PolarHBondContact O-N 2.79Å; P74-E77 VanDerWaalsContact O-N 3.09Å; E77-E79 PolarHBondContact O-N 2.84Å
78	Q	94.6	Very high	96.9	Very high	124 Å²	124	63.3 Å²	63.3	58%	0.579	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.4	175.2	68.3	-177.5	12	0	0	114.1	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.21Å; W75-Q78 PolarHBondContact O-NE2 2.03Å; V76-Q78 PolarHBondContact O-N 2.78Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 2.86Å; Q78-N198 PolarHBondContact NE2-OD1 3.28Å
79	E	96.6	Very high	96.9	Very high	11 Å²	11	61 Å²	61	5%	0.051	31%	0.31	C	S	.	.	S	Bend	trans	-66	135.5	174.8	-66.7	-62.4	160.2	0	0	111	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.43Å; V76-E79 WeakPolarHBondContact O-CG 3.4Å; V76-E79 PolarHBondContact O-N 3.34Å; E77-E79 PolarHBondContact O-N 2.84Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.48Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 PolarHBondContact O-NE1 2.83Å; E79-R194 VanDerWaalsContact CD-NH2 3.34Å; E79-R194 IonicContact OE1-CZ 3.74Å; E79-R194 IonicContact OE1-NE 3.33Å; E79-R194 PolarHBondContact OE1-NE 2.87Å; E79-R194 IonicContact OE1-NH2 3.78Å; E79-R194 PolarHBondContact OE1-NH2 2.88Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 2.77Å; E79-R194 IonicContact OE2-NE 2.76Å; E79-R194 IonicContact OE2-NH2 3.69Å; E79-R194 PolarHBondContact OE2-NH2 3.17Å; E79-N198 PolarHBondContact OE1-ND2 3.22Å
80	G	95.8	Very high	96.9	Very high	35 Å²	35	64.1 Å²	64.1	36%	0.361	32%	0.322	S	S	.	.			trans	-70.1	169.3	-174.5	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 3.3Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 2.92Å; G80-W84 PolarHBondContact O-N 2.82Å
81	P	96.6	Very high	96.9	Very high	97 Å²	97	61.6 Å²	61.6	63%	0.63	31%	0.31	S	S	*	.	H	α-helix	trans	-57.8	-35.4	-178.6	22.8	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.79Å; P81-W84 PolarHBondContact O-N 2.94Å; P81-W84 VanDerWaalsContact O-N 3.17Å; P81-D85 WeakPolarHBondContact O-CB 3.18Å; P81-D85 PolarHBondContact O-N 2.88Å
82	E	97.2	Very high	96.9	Very high	164 Å²	164	63.4 Å²	63.4	77%	0.766	31%	0.314	S	S	*	.	H	α-helix	trans	-60.3	-35.4	177.7	-63.3	-178.2	179	0	0	112.9	G80 R86	G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 3.3Å; E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 PolarHBondContact O-N 2.92Å
83	Y	97.2	Very high	97	Very high	9 Å²	9	65.7 Å²	65.7	4%	0.035	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-52	174.6	168	-92.3	0	0	0	110.1	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.48Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 2.92Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.79Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.95Å; Y83-R86 PolarHBondContact O-N 2.81Å; Y83-E87 HydrophobicContact CD1-CG 4.42Å; Y83-E87 HydrophobicContact CD2-CG 4.14Å; Y83-E87 HydrophobicContact CE1-CG 4.03Å; Y83-E87 HydrophobicContact CE2-CG 3.69Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.1Å; Y83-E87 PolarHBondContact O-N 2.84Å; Y83-W191 AromaticContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CH2 3.5Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CZ2 4.25Å; Y83-W191 AromaticContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CE3 4.16Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 AromaticContact CE2-CZ3 3.64Å; Y83-W191 HydrophobicContact CE2-CZ3 3.64Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.31Å; Y83-Y195 PolarHBondContact OH-OH 2.85Å
84	W	97.9	Very high	97.1	Very high	37 Å²	37	66.8 Å²	66.8	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-38.8	-177.9	-67.3	112.3	0	0	0	113	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.02Å; P71-W84 HydrophobicContact CB-CH2 3.65Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.28Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å; V76-W84 HydrophobicContact CG1-CH2 4.05Å; V76-W84 HydrophobicContact CG1-CZ2 4.27Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.29Å; E79-W84 PolarHBondContact O-NE1 2.83Å; G80-W84 PolarHBondContact O-N 2.82Å; P81-W84 PolarHBondContact O-N 2.94Å; P81-W84 VanDerWaalsContact O-N 3.17Å; W84-T88 WeakPolarHBondContact O-CB 3.19Å; W84-T88 PolarHBondContact O-N 3.06Å; W84-T88 PolarHBondContact O-OG1 2.96Å
85	D	97.9	Very high	97.1	Very high	108 Å²	108	62.3 Å²	62.3	58%	0.578	30%	0.298	S	S	*	.	H	α-helix	trans	-64.3	-46.8	174.6	-75.6	-21.9	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.18Å; P81-D85 PolarHBondContact O-N 2.88Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.95Å; D85-T88 PolarHBondContact O-N 2.92Å; D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.32Å; D85-Q89 PolarHBondContact O-N 2.64Å
86	R	97.2	Very high	97.2	Very high	105 Å²	105	66.1 Å²	66.1	40%	0.396	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-47	178.8	-174.8	-178	66.6	-149.1	-6.4	112	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 PolarHBondContact O-N 2.92Å; Y83-R86 PolarHBondContact O-N 2.81Å; R86-Q89 PolarHBondContact O-N 3.49Å; R86-K90 WeakPolarHBondContact O-CG 3.44Å; R86-K90 PolarHBondContact O-N 3.38Å
87	E	97.3	Very high	97.2	Very high	8 Å²	8	69.6 Å²	69.6	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-42.1	178.5	-65.5	-44.9	118.4	0	0	111.1	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.42Å; Y83-E87 HydrophobicContact CD2-CG 4.14Å; Y83-E87 HydrophobicContact CE1-CG 4.03Å; Y83-E87 HydrophobicContact CE2-CG 3.69Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.1Å; Y83-E87 PolarHBondContact O-N 2.84Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 2.8Å; E87-K90 WeakPolarHBondContact O-CB 3.39Å; E87-K90 PolarHBondContact O-N 2.93Å; E87-K90 VanDerWaalsContact O-N 3.09Å; E87-K90 IonicContact OE1-NZ 3.36Å; E87-K90 PolarHBondContact OE1-NZ 2.89Å; E87-K90 WeakPolarHBondContact OE2-CD 3.48Å; E87-K90 IonicContact OE2-NZ 4Å; E87-K90 PolarHBondContact OE2-NZ 2.96Å; E87-Y91 HydrophobicContact CB-CE2 4.02Å; E87-Y91 WeakPolarHBondContact O-CD2 3.4Å; E87-Y91 PolarHBondContact O-N 3.25Å
88	T	98.3	Very high	97.3	Very high	11 Å²	11	63.8 Å²	63.8	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-56.7	-43.9	173.7	-64.3	0	0	0	0	112.1	F60 R68 G69 W84 D85 Y91 K92	F60-T88 HydrophobicContact CE2-CG2 4.47Å; R68-T88 HydrophobicContact CB-CG2 4.19Å; G69-T88 PolarHBondContact N-OG1 2.77Å; W84-T88 WeakPolarHBondContact O-CB 3.19Å; W84-T88 PolarHBondContact O-N 3.06Å; W84-T88 PolarHBondContact O-OG1 2.96Å; D85-T88 PolarHBondContact O-N 2.92Å; T88-Y91 PolarHBondContact O-N 2.86Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 3.3Å
89	Q	98.1	Very high	97.3	Very high	105 Å²	105	62 Å²	62	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-68.6	-34	177.2	-67.7	-58.3	-26.7	0	0	112.7	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.32Å; D85-Q89 PolarHBondContact O-N 2.64Å; R86-Q89 PolarHBondContact O-N 3.49Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 2.8Å; Q89-R93 WeakPolarHBondContact O-CB 3.39Å; Q89-R93 WeakPolarHBondContact O-CG 3.39Å; Q89-R93 PolarHBondContact O-N 2.67Å
90	K	97.1	Very high	97.3	Very high	71 Å²	71	65 Å²	65	31%	0.309	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-48	171.9	-73	173.2	179.5	172.6	0	111	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.44Å; R86-K90 PolarHBondContact O-N 3.38Å; E87-K90 WeakPolarHBondContact O-CB 3.39Å; E87-K90 PolarHBondContact O-N 2.93Å; E87-K90 VanDerWaalsContact O-N 3.09Å; E87-K90 IonicContact OE1-NZ 3.36Å; E87-K90 PolarHBondContact OE1-NZ 2.89Å; E87-K90 WeakPolarHBondContact OE2-CD 3.48Å; E87-K90 IonicContact OE2-NZ 4Å; E87-K90 PolarHBondContact OE2-NZ 2.96Å; K90-K92 PolarHBondContact O-N 3.21Å; K90-R93 PolarHBondContact O-N 3.19Å; K90-Q94 PolarHBondContact O-N 2.75Å
91	Y	98.3	Very high	97.4	Very high	5 Å²	5	65.1 Å²	65.1	2%	0.02	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-44.6	177.2	-62.7	-47.7	0	0	0	112.3	F33 F46 S48 V58 F60 E87 T88 R93 Q94 A95	F33-Y91 AromaticContact CE1-CD1 3.98Å; F33-Y91 HydrophobicContact CE1-CD1 3.98Å; F33-Y91 AromaticContact CE1-CE1 3.95Å; F33-Y91 HydrophobicContact CE1-CE1 3.95Å; F46-Y91 HydrophobicContact CE1-CD1 4.44Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.36Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.32Å; V58-Y91 HydrophobicContact CG2-CE2 4.28Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.43Å; F60-Y91 HydrophobicContact CB-CD1 4.3Å; F60-Y91 HydrophobicContact CB-CD2 3.62Å; F60-Y91 HydrophobicContact CB-CE2 4.03Å; F60-Y91 HydrophobicContact CB-CG 3.79Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.6Å; F60-Y91 HydrophobicContact CD2-CD2 3.6Å; F60-Y91 AromaticContact CD2-CG 3.88Å; F60-Y91 HydrophobicContact CD2-CG 3.88Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.77Å; F60-Y91 HydrophobicContact CG-CG 3.77Å; E87-Y91 HydrophobicContact CB-CE2 4.02Å; E87-Y91 WeakPolarHBondContact O-CD2 3.4Å; E87-Y91 PolarHBondContact O-N 3.25Å; T88-Y91 PolarHBondContact O-N 2.86Å; Y91-R93 PolarHBondContact O-N 3.27Å; Y91-Q94 PolarHBondContact O-N 2.7Å; Y91-A95 WeakPolarHBondContact O-CB 3.41Å; Y91-A95 PolarHBondContact O-N 3.42Å
92	K	97.9	Very high	97.5	Very high	86 Å²	86	61 Å²	61	37%	0.374	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-41.3	177.3	-73.2	178.1	178.6	176.9	0	112.6	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.36Å; F60-K92 HydrophobicContact CZ-CG 4.1Å; P67-K92 VanDerWaalsContact O-CE 3.23Å; P67-K92 WeakPolarHBondContact O-CE 3.18Å; P67-K92 PolarHBondContact O-NZ 3.12Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.42Å; T88-K92 PolarHBondContact O-N 3.3Å; K90-K92 PolarHBondContact O-N 3.21Å; K92-Q96 PolarHBondContact O-N 3.2Å
93	R	97.8	Very high	97.4	Very high	161 Å²	161	60.2 Å²	60.2	61%	0.608	28%	0.275	S	S	*	.	H	α-helix	trans	-66.3	-40.2	175	-75.1	-173.6	-65.8	169.5	0.1	112.1	Q89 K90 Y91 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.39Å; Q89-R93 WeakPolarHBondContact O-CG 3.39Å; Q89-R93 PolarHBondContact O-N 2.67Å; K90-R93 PolarHBondContact O-N 3.19Å; Y91-R93 PolarHBondContact O-N 3.27Å; R93-Q96 PolarHBondContact O-N 2.83Å; R93-T97 PolarHBondContact O-N 3.28Å; R93-T97 PolarHBondContact O-OG1 2.94Å
94	Q	98	Very high	97.4	Very high	27 Å²	27	63.1 Å²	63.1	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-43.5	176.9	-169.7	59.7	45.7	0	0	111.4	F33 F46 K90 Y91 Q96 T97 D98 W121	F33-Q94 HydrophobicContact CD1-CG 4.43Å; F46-Q94 HydrophobicContact CE2-CB 4.07Å; F46-Q94 HydrophobicContact CE2-CG 3.77Å; F46-Q94 HydrophobicContact CZ-CB 3.86Å; F46-Q94 HydrophobicContact CZ-CG 3.91Å; K90-Q94 PolarHBondContact O-N 2.75Å; Y91-Q94 PolarHBondContact O-N 2.7Å; Q94-Q96 VanDerWaalsContact C-N 3.3Å; Q94-Q96 PolarHBondContact O-N 2.66Å; Q94-T97 CarbonylContact O-C 3.55Å; Q94-T97 WeakPolarHBondContact O-CA 3.34Å; Q94-T97 WeakPolarHBondContact O-CB 3.33Å; Q94-T97 PolarHBondContact O-N 3.15Å; Q94-D98 PolarHBondContact NE2-OD1 3.08Å; Q94-D98 PolarHBondContact O-N 2.83Å; Q94-W121 HydrophobicContact CG-CE3 3.98Å; Q94-W121 HydrophobicContact CG-CZ3 3.78Å
95	A	97.6	Very high	97.4	Very high	8 Å²	8	61.7 Å²	61.7	7%	0.066	29%	0.286	C	S	.	.	H	α-helix	trans	-55.6	-44.2	175	0	0	0	0	0	112	H44 F46 Y91 T97 D98 R99	H44-A95 PolarHBondContact CE1-O 3.42Å; H44-A95 PolarHBondContact NE2-O 3.05Å; F46-A95 HydrophobicContact CB-CB 3.73Å; F46-A95 HydrophobicContact CD1-CB 3.91Å; F46-A95 HydrophobicContact CD2-CB 3.82Å; F46-A95 HydrophobicContact CE1-CB 4.44Å; F46-A95 HydrophobicContact CE2-CB 4.39Å; F46-A95 HydrophobicContact CG-CB 3.55Å; Y91-A95 WeakPolarHBondContact O-CB 3.41Å; Y91-A95 PolarHBondContact O-N 3.42Å; A95-T97 VanDerWaalsContact C-N 3.32Å; A95-T97 PolarHBondContact O-N 3.38Å; A95-D98 PolarHBondContact O-N 2.9Å; A95-R99 WeakPolarHBondContact O-CB 3.24Å; A95-R99 PolarHBondContact O-N 2.93Å
96	Q	96.9	Very high	97.3	Very high	94 Å²	94	59.3 Å²	59.3	44%	0.439	27%	0.269	S	S	.	.	H	α-helix	trans	-66	-35.6	175.7	-64.1	-55.1	-38	0	0	112.7	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.2Å; R93-Q96 PolarHBondContact O-N 2.83Å; Q94-Q96 VanDerWaalsContact C-N 3.3Å; Q94-Q96 PolarHBondContact O-N 2.66Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 2.92Å; Q96-V100 WeakPolarHBondContact O-CG2 3.28Å; Q96-V100 PolarHBondContact O-N 3.04Å
97	T	97.1	Very high	97.3	Very high	73 Å²	73	56.4 Å²	56.4	45%	0.448	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-43.9	175.9	-56.8	0	0	0	0	111.3	R93 Q94 A95 R99 V100 S101	R93-T97 PolarHBondContact O-N 3.28Å; R93-T97 PolarHBondContact O-OG1 2.94Å; Q94-T97 CarbonylContact O-C 3.55Å; Q94-T97 WeakPolarHBondContact O-CA 3.34Å; Q94-T97 WeakPolarHBondContact O-CB 3.33Å; Q94-T97 PolarHBondContact O-N 3.15Å; A95-T97 VanDerWaalsContact C-N 3.32Å; A95-T97 PolarHBondContact O-N 3.38Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 3.39Å; T97-V100 PolarHBondContact O-N 3.35Å; T97-S101 WeakPolarHBondContact O-CB 3.34Å; T97-S101 PolarHBondContact O-N 3.04Å; T97-S101 PolarHBondContact O-OG 2.95Å
98	D	97.4	Very high	97.4	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-37.9	177.9	-76.4	11.7	0	0	0	111.7	S35 F46 Q94 A95 V100 S101 L102 L119	S35-D98 WeakPolarHBondContact CB-OD2 3.33Å; S35-D98 WeakPolarHBondContact OG-CB 3.37Å; S35-D98 PolarHBondContact OG-OD2 3.46Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.38Å; Q94-D98 PolarHBondContact NE2-OD1 3.08Å; Q94-D98 PolarHBondContact O-N 2.83Å; A95-D98 PolarHBondContact O-N 2.9Å; D98-V100 VanDerWaalsContact C-N 3.32Å; D98-V100 PolarHBondContact O-N 3.29Å; D98-S101 PolarHBondContact O-N 3.4Å; D98-L102 WeakPolarHBondContact O-CB 3.33Å; D98-L102 WeakPolarHBondContact O-CG 3.14Å; D98-L102 PolarHBondContact O-N 2.97Å; D98-L119 HydrophobicContact CB-CD2 4.17Å
99	R	96	Very high	97.4	Very high	87 Å²	87	61.5 Å²	61.5	33%	0.328	29%	0.291	S	S	.	.	H	α-helix	trans	-55.4	-46.7	172.7	-173.3	-173.9	176.3	163.7	10.2	112.2	E43 A95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.4Å; E43-R99 IonicContact OE1-NH1 3.58Å; E43-R99 PolarHBondContact OE1-NH1 3.36Å; E43-R99 IonicContact OE1-NH2 2.72Å; E43-R99 PolarHBondContact OE1-NH2 2.95Å; E43-R99 IonicContact OE2-NH1 3.16Å; A95-R99 WeakPolarHBondContact O-CB 3.24Å; A95-R99 PolarHBondContact O-N 2.93Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-R99 PolarHBondContact O-N 2.92Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 3.39Å; R99-R103 PolarHBondContact O-N 3.42Å
100	V	96.4	Very high	97.3	Very high	74 Å²	74	63.8 Å²	63.8	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-68.5	-41	178.2	175.4	0	0	0	0	110.1	Q96 T97 D98 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.28Å; Q96-V100 PolarHBondContact O-N 3.04Å; T97-V100 PolarHBondContact O-N 3.35Å; D98-V100 VanDerWaalsContact C-N 3.32Å; D98-V100 PolarHBondContact O-N 3.29Å; V100-R103 WeakPolarHBondContact O-CB 3.46Å; V100-R103 PolarHBondContact O-N 2.94Å; V100-N104 PolarHBondContact O-N 3.34Å
101	S	97.6	Very high	97.3	Very high	36 Å²	36	63.2 Å²	63.2	25%	0.252	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-44.8	178.7	-58.9	0	0	0	0	112	T97 D98 R103 N104 L105	T97-S101 WeakPolarHBondContact O-CB 3.34Å; T97-S101 PolarHBondContact O-N 3.04Å; T97-S101 PolarHBondContact O-OG 2.95Å; D98-S101 PolarHBondContact O-N 3.4Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.45Å; S101-N104 PolarHBondContact O-N 2.85Å; S101-N104 VanDerWaalsContact O-N 3.12Å; S101-L105 WeakPolarHBondContact O-CB 3.4Å; S101-L105 WeakPolarHBondContact O-CD1 3.37Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.5Å; S101-L105 PolarHBondContact O-N 3.3Å
102	L	97.5	Very high	97.1	Very high	11 Å²	11	67 Å²	67	6%	0.058	33%	0.331	C	S	.	.	H	α-helix	trans	-56.4	-40.1	174	-78.3	168.7	0	0	0	112.3	H44 D98 R106 H117 L119 Y142	H44-L102 HydrophobicContact CB-CD1 4.18Å; D98-L102 WeakPolarHBondContact O-CB 3.33Å; D98-L102 WeakPolarHBondContact O-CG 3.14Å; D98-L102 PolarHBondContact O-N 2.97Å; L102-R106 WeakPolarHBondContact O-CB 3.33Å; L102-R106 PolarHBondContact O-N 3.37Å; L102-R106 VanDerWaalsContact O-N 3.11Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.08Å; L102-Y142 HydrophobicContact CD2-CE2 4.03Å
103	R	95.4	Very high	96.8	Very high	148 Å²	148	69.3 Å²	69.3	56%	0.558	34%	0.344	S	S	*	.	H	α-helix	trans	-67.4	-43	176	-173.5	-174.4	-64.8	162.9	-1.3	111.8	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 3.42Å; V100-R103 WeakPolarHBondContact O-CB 3.46Å; V100-R103 PolarHBondContact O-N 2.94Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.45Å; R103-G107 PolarHBondContact O-N 3.49Å
104	N	97.2	Very high	96.5	Very high	69 Å²	69	65.5 Å²	65.5	37%	0.369	35%	0.347	S	S	.	.	H	α-helix	trans	-65.1	-47	179	-69.1	-18.6	0	0	0	111.3	V100 S101 R106 G107 Y108	V100-N104 PolarHBondContact O-N 3.34Å; S101-N104 PolarHBondContact O-N 2.85Å; S101-N104 VanDerWaalsContact O-N 3.12Å; N104-R106 PolarHBondContact O-N 3.33Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.2Å; N104-G107 PolarHBondContact O-N 3.48Å; N104-G107 VanDerWaalsContact O-N 3.08Å; N104-Y108 HydrophobicContact CB-CE2 4.44Å; N104-Y108 WeakPolarHBondContact O-CD1 3.27Å; N104-Y108 PolarHBondContact O-N 3.4Å
105	L	98	Very high	96.2	Very high	7 Å²	7	65.4 Å²	65.4	4%	0.037	35%	0.353	C	S	.	.	H	α-helix	trans	-58.6	-48.9	178.7	-71.8	163.8	0	0	0	111	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.4Å; S101-L105 WeakPolarHBondContact O-CD1 3.37Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.5Å; S101-L105 PolarHBondContact O-N 3.3Å; L105-G107 PolarHBondContact O-N 3.49Å; L105-Y108 PolarHBondContact O-N 2.85Å; L105-Y109 HydrophobicContact CD2-CE2 4.19Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.31Å; L105-Y109 PolarHBondContact O-N 3.16Å; L105-L119 HydrophobicContact CD1-CD1 3.81Å; L105-L119 HydrophobicContact CD1-CD2 4.31Å; L105-Y142 HydrophobicContact CB-CD1 4.34Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 3.97Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.62Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.05Å; L105-Y142 HydrophobicContact CD2-CG 4.45Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; L105-Y147 HydrophobicContact CD2-CD1 4.3Å; L105-Y147 HydrophobicContact CD2-CD2 4.03Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.44Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.44Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å
106	R	96.8	Very high	96.2	Very high	59 Å²	59	68.6 Å²	68.6	22%	0.223	38%	0.375	C	S	.	.	H	α-helix	trans	-53	-41.3	174.3	-172.7	-172.4	65.9	178.5	9.6	112.1	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.33Å; L102-R106 PolarHBondContact O-N 3.37Å; L102-R106 VanDerWaalsContact O-N 3.11Å; N104-R106 PolarHBondContact O-N 3.33Å; R106-N110 PolarHBondContact O-N 3.11Å; R106-N110 VanDerWaalsContact O-N 3.16Å; R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 WeakPolarHBondContact CG-O 3.45Å; R106-Q111 PolarHBondContact O-N 2.95Å; R106-E113 IonicContact CZ-OE1 3.92Å; R106-E113 IonicContact NH1-OE1 3.49Å; R106-E113 PolarHBondContact NH1-OE1 3Å; R106-E113 IonicContact NH2-OE1 3.54Å; R106-E113 PolarHBondContact NH2-OE1 3.35Å
107	G	97.2	Very high	96.2	Very high	44 Å²	44	64.9 Å²	64.9	45%	0.454	36%	0.358	S	S	.	.	H	α-helix	trans	-66.4	-46.3	175.3	0	0	0	0	0	113.1	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.49Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.2Å; N104-G107 PolarHBondContact O-N 3.48Å; N104-G107 VanDerWaalsContact O-N 3.08Å; L105-G107 PolarHBondContact O-N 3.49Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.81Å; G107-N110 PolarHBondContact O-N 2.91Å; G107-N110 VanDerWaalsContact O-N 3.12Å; G107-N110 PolarHBondContact O-OD1 3.34Å
108	Y	98	Very high	96.3	Very high	56 Å²	56	63.2 Å²	63.2	22%	0.22	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-36.2	178.9	-61.7	-18.4	0	0	0	112.6	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.44Å; N104-Y108 WeakPolarHBondContact O-CD1 3.27Å; N104-Y108 PolarHBondContact O-N 3.4Å; L105-Y108 PolarHBondContact O-N 2.85Å; Y108-I166 HydrophobicContact CD1-CD1 4.09Å; Y108-I166 HydrophobicContact CE1-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.02Å; Y108-I166 HydrophobicContact CE2-CB 4.35Å; Y108-I166 HydrophobicContact CE2-CG2 4.15Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; Y108-K170 PolarHBondContact OH-NZ 2.91Å
109	Y	97.9	Very high	96.3	Very high	70 Å²	70	63.3 Å²	63.3	28%	0.275	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	3.9	178.5	-69.3	-71.5	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.19Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.31Å; L105-Y109 PolarHBondContact O-N 3.16Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.81Å; Y109-Q111 PolarHBondContact O-N 3.16Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.54Å; Y109-Y142 HydrophobicContact CD2-CE1 3.54Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.45Å; Y109-Y147 HydrophobicContact CE2-CD2 4.44Å; Y109-Y147 HydrophobicContact CE2-CE2 4.16Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.47Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.3Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.33Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.82Å; Y109-D161 VanDerWaalsContact OH-OD1 3.14Å; Y109-D161 PolarHBondContact OH-OD2 2.91Å; Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.41Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	96.9	Very high	96.5	Very high	153 Å²	153	62.8 Å²	62.8	82%	0.818	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	39.5	-177.7	-57.7	-59	0	0	0	113.6	R106 G107	R106-N110 PolarHBondContact O-N 3.11Å; R106-N110 VanDerWaalsContact O-N 3.16Å; G107-N110 PolarHBondContact O-N 2.91Å; G107-N110 VanDerWaalsContact O-N 3.12Å; G107-N110 PolarHBondContact O-OD1 3.34Å
111	Q	96.9	Very high	96.6	Very high	59 Å²	59	60 Å²	60	28%	0.276	33%	0.331	S	S	.	.			trans	-87.9	153	-176.3	-70.5	166.1	-32.5	0	0	112.2	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 WeakPolarHBondContact CG-O 3.45Å; R106-Q111 PolarHBondContact O-N 2.95Å; Y109-Q111 PolarHBondContact O-N 3.16Å; Q111-H117 PolarHBondContact NE2-CE1 3.07Å; Q111-H117 PolarHBondContact OE1-CE1 3.29Å; Q111-Y142 PolarHBondContact OE1-OH 2.65Å; Q111-D143 PolarHBondContact NE2-OD2 2.89Å
112	S	94.6	Very high	96.6	Very high	83 Å²	83	59.5 Å²	59.5	58%	0.58	33%	0.325	S	S	*	.			trans	-67.6	147.2	179.4	175.7	0	0	0	0	112.6	A114 G115	S112-A114 PolarHBondContact O-N 2.82Å; S112-A114 PolarHBondContact OG-N 2.87Å; S112-G115 PolarHBondContact O-N 3.12Å
113	E	90.9	Very high	96.7	Very high	135 Å²	135	59.2 Å²	59.2	63%	0.631	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.8	174.2	-55.6	-152.2	127.2	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.36Å; P39-E113 VanDerWaalsContact CG-O 3.22Å; P39-E113 WeakPolarHBondContact CG-O 3.19Å; R106-E113 IonicContact CZ-OE1 3.92Å; R106-E113 IonicContact NH1-OE1 3.49Å; R106-E113 PolarHBondContact NH1-OE1 3Å; R106-E113 IonicContact NH2-OE1 3.54Å; R106-E113 PolarHBondContact NH2-OE1 3.35Å; E113-G115 VanDerWaalsContact C-N 3.28Å
114	A	91.4	Very high	96.8	Very high	82 Å²	82	52.1 Å²	52.1	68%	0.678	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.4	178.5	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 2.82Å; S112-A114 PolarHBondContact OG-N 2.87Å
115	G	92.9	Very high	96.9	Very high	25 Å²	25	48.9 Å²	48.9	26%	0.258	28%	0.279	S	S	.	.			trans	-75.4	133.8	-179.8	0	0	0	0	0	112.9	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.35Å; S112-G115 PolarHBondContact O-N 3.12Å; E113-G115 VanDerWaalsContact C-N 3.28Å; G115-H117 PolarHBondContact O-CD2 3.42Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å
116	S	96.3	Very high	96.8	Very high	75 Å²	75	49.6 Å²	49.6	52%	0.524	28%	0.283	S	S	.	.			trans	-79.8	134.4	164.3	-177.3	0	0	0	0	108.7	S37	S37-S116 PolarHBondContact O-OG 3.18Å
117	H	97.8	Very high	96.8	Very high	15 Å²	15	47 Å²	47	7%	0.069	27%	0.273	C	S	.	.			trans	-133.4	152	-177.6	-64.1	-74.4	0	0	0	110.7	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.46Å; S37-H117 PolarHBondContact N-O 2.56Å; S37-H117 PolarHBondContact OG-N 3.07Å; S37-H117 PolarHBondContact OG-O 2.97Å; L102-H117 HydrophobicContact CD2-CB 4.29Å; Q111-H117 PolarHBondContact NE2-CE1 3.07Å; Q111-H117 PolarHBondContact OE1-CE1 3.29Å; G115-H117 PolarHBondContact O-CD2 3.42Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å; H117-Y142 HydrophobicContact CB-CE2 3.8Å; H117-Y142 WeakPolarHBondContact CB-OH 3.48Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.96Å; H117-D143 WeakPolarHBondContact CA-OD1 3.32Å; H117-D143 WeakPolarHBondContact CB-OD1 3.04Å; H117-D143 IonicContact CE1-OD2 3.18Å; H117-D143 IonicContact CG-OD1 3.6Å; H117-D143 IonicContact CG-OD2 3.47Å; H117-D143 IonicContact ND1-OD1 3.05Å; H117-D143 IonicContact ND1-OD2 3.38Å; H117-D143 PolarHBondContact ND1-OD2 2.93Å
118	T	98.6	Very high	96.6	Very high	39 Å²	39	45.3 Å²	45.3	24%	0.239	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.1	-176.1	-57.4	0	0	0	0	110.1	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.04Å; S35-T118 CarbonylContact O-C 3.57Å; S35-T118 WeakPolarHBondContact O-CA 3.49Å; V36-T118 HydrophobicContact CG2-CG2 4.26Å; T118-Q120 HydrophobicContact CG2-CG 3.98Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.46Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.16Å; T118-D143 PolarHBondContact N-OD1 2.9Å; T118-D143 PolarHBondContact O-N 3.02Å
119	L	98.8	Very high	96.2	Very high	3 Å²	3	47 Å²	47	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.1	169.5	175.8	63.1	0	0	0	108.3	S35 D98 L102 L105 Y140	S35-L119 PolarHBondContact N-O 2.83Å; S35-L119 PolarHBondContact O-N 2.89Å; D98-L119 HydrophobicContact CB-CD2 4.17Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.08Å; L105-L119 HydrophobicContact CD1-CD1 3.81Å; L105-L119 HydrophobicContact CD1-CD2 4.31Å; L119-Y140 HydrophobicContact CD1-CD1 4.12Å
120	Q	98.8	Very high	95.7	Very high	76 Å²	76	48.7 Å²	48.7	36%	0.355	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.4	176.4	-64.7	171.7	-87.4	0	0	109.3	F33 T34 T118 Y140 A141	F33-Q120 VanDerWaalsContact O-CA 3.3Å; F33-Q120 WeakPolarHBondContact O-CA 3.37Å; T34-Q120 HydrophobicContact CG2-CG 4.17Å; T118-Q120 HydrophobicContact CG2-CG 3.98Å; Q120-Y140 CarbonylContact O-C 3.59Å; Q120-Y140 VanDerWaalsContact O-CA 3.25Å; Q120-Y140 WeakPolarHBondContact O-CA 3.34Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 3.47Å; Q120-A141 PolarHBondContact O-N 2.94Å
121	W	98.6	Very high	95.3	Very high	16 Å²	16	42.4 Å²	42.4	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130	174.9	175.7	35.9	0	0	0	109.1	F33 Q94 C123 D138 Q139 Y140	F33-W121 HydrophobicContact CB-CB 4.19Å; F33-W121 HydrophobicContact CB-CE3 4.44Å; F33-W121 HydrophobicContact CD2-CB 4.15Å; F33-W121 AromaticContact CD2-CD2 3.7Å; F33-W121 HydrophobicContact CD2-CD2 3.7Å; F33-W121 AromaticContact CD2-CE3 3.29Å; F33-W121 HydrophobicContact CD2-CE3 3.29Å; F33-W121 HydrophobicContact CD2-CG 4.09Å; F33-W121 AromaticContact CD2-CZ3 3.89Å; F33-W121 HydrophobicContact CD2-CZ3 3.89Å; F33-W121 WeakPolarHBondContact CD2-O 3.39Å; F33-W121 HydrophobicContact CE2-CD2 4.04Å; F33-W121 AromaticContact CE2-CE3 3.55Å; F33-W121 HydrophobicContact CE2-CE3 3.55Å; F33-W121 HydrophobicContact CE2-CH2 4.23Å; F33-W121 AromaticContact CE2-CZ3 3.64Å; F33-W121 HydrophobicContact CE2-CZ3 3.64Å; F33-W121 AromaticContact CG-CE3 3.86Å; F33-W121 HydrophobicContact CG-CE3 3.86Å; F33-W121 HydrophobicContact CG-CZ3 4.47Å; F33-W121 HydrophobicContact CZ-CE3 4.28Å; F33-W121 HydrophobicContact CZ-CZ3 4.03Å; F33-W121 PolarHBondContact N-O 2.63Å; F33-W121 PolarHBondContact O-N 2.86Å; Q94-W121 HydrophobicContact CG-CE3 3.98Å; Q94-W121 HydrophobicContact CG-CZ3 3.78Å; W121-C123 HydrophobicContact CZ2-CB 3.85Å; W121-D138 PolarHBondContact NE1-OD1 2.88Å; W121-Q139 WeakPolarHBondContact CA-O 3.39Å; W121-Y140 HydrophobicContact CB-CD1 3.64Å; W121-Y140 HydrophobicContact CB-CE1 3.47Å; W121-Y140 VanDerWaalsContact CB-CE1 3.47Å; W121-Y140 HydrophobicContact CB-CG 4.37Å; W121-Y140 AromaticContact CD1-CD1 3.96Å; W121-Y140 AromaticContact CD1-CD2 3.74Å; W121-Y140 AromaticContact CD1-CE1 3.61Å; W121-Y140 AromaticContact CD1-CE2 3.35Å; W121-Y140 AromaticContact CD1-CZ 3.28Å; W121-Y140 AromaticContact CD2-CE1 3.88Å; W121-Y140 HydrophobicContact CD2-CE1 3.88Å; W121-Y140 HydrophobicContact CD2-CE2 4.4Å; W121-Y140 AromaticContact CD2-CZ 3.64Å; W121-Y140 AromaticContact CE2-CZ 3.72Å; W121-Y140 VanDerWaalsContact CE2-OH 3.26Å; W121-Y140 AromaticContact CG-CD1 3.88Å; W121-Y140 HydrophobicContact CG-CD1 3.88Å; W121-Y140 HydrophobicContact CG-CD2 4.44Å; W121-Y140 AromaticContact CG-CE1 3.37Å; W121-Y140 HydrophobicContact CG-CE1 3.37Å; W121-Y140 AromaticContact CG-CE2 3.98Å; W121-Y140 HydrophobicContact CG-CE2 3.98Å; W121-Y140 HydrophobicContact CG-CG 4.4Å; W121-Y140 AromaticContact CG-CZ 3.42Å; W121-Y140 VanDerWaalsContact CG-CZ 3.42Å; W121-Y140 AromaticContact NE1-CE2 3.44Å; W121-Y140 AromaticContact NE1-CZ 3.44Å; W121-Y140 PolarHBondContact NE1-OH 3.43Å
122	M	98.6	Very high	95.2	Very high	25 Å²	25	47.9 Å²	47.9	12%	0.123	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127	170.6	-171.5	-79.1	-71.6	0	0	108.9	K30 Y31 F32 Y137 D138 Q139	K30-M122 HydrophobicContact CG-SD 4.43Å; Y31-M122 WeakPolarHBondContact O-CA 3.38Å; F32-M122 HydrophobicContact CD1-CB 4.08Å; F32-M122 HydrophobicContact CD1-CG 3.59Å; F32-M122 HydrophobicContact CE1-CB 4.28Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CG-CG 4.42Å; F32-M122 HydrophobicContact CZ-CG 4.09Å; M122-Y137 HydrophobicContact CE-CD1 3.97Å; M122-Y137 HydrophobicContact CE-CG 3.93Å; M122-Y137 HydrophobicContact SD-CG 4.43Å; M122-D138 WeakPolarHBondContact O-CA 3.44Å; M122-Q139 HydrophobicContact CB-CG 4.07Å; M122-Q139 VanDerWaalsContact CE-CD 3.49Å; M122-Q139 HydrophobicContact CE-CG 3.89Å; M122-Q139 PolarHBondContact N-O 3.48Å; M122-Q139 PolarHBondContact O-N 3.43Å
123	C	98.3	Very high	95.3	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.027	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.7	171	69.5	0	0	0	0	111.1	Y31 W121 Y137	Y31-C123 PolarHBondContact N-O 3.2Å; Y31-C123 PolarHBondContact O-N 2.92Å; Y31-C123 VanDerWaalsContact O-N 3.11Å; W121-C123 HydrophobicContact CZ2-CB 3.85Å; C123-Y137 WeakPolarHBondContact CA-O 3.47Å; C123-Y137 WeakPolarHBondContact CB-O 3.4Å
124	G	98.3	Very high	95.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	177.4	-176.2	0	0	0	0	0	113.9	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.41Å; G124-Y137 PolarHBondContact N-O 3.4Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 3.2Å; G124-L184 WeakPolarHBondContact O-CD2 3.34Å
125	C	98.4	Very high	95.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	145.4	177.9	53.3	0	0	0	0	110.8	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.54Å; S28-C125 WeakPolarHBondContact CA-O 3.35Å; M29-C125 PolarHBondContact N-O 3.48Å; M29-C125 PolarHBondContact O-N 3.18Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.53Å; C125-R135 VanDerWaalsContact CA-O 3.32Å; C125-R135 WeakPolarHBondContact CA-O 3.29Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 2.8Å; C125-C188 WeakPolarHBondContact SG-CB 3.48Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.94Å
126	D	97.8	Very high	96	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.118	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.6	169.5	-59.8	-17.8	0	0	0	108.8	H27 S28 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.51Å; H27-D126 WeakPolarHBondContact O-CA 3.06Å; S28-D126 WeakPolarHBondContact CB-OD1 3.3Å; D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 2.93Å; D126-R135 HydrophobicContact CB-CB 4.34Å; D126-R135 PolarHBondContact N-O 3.45Å; D126-R135 PolarHBondContact O-N 3.09Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.39Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 3.34Å
127	L	96.6	Very high	96.1	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.7	171.6	-57.3	-177.3	0	0	0	110.1	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.38Å; S26-L127 WeakPolarHBondContact CB-O 3.42Å; H27-L127 PolarHBondContact N-O 3.2Å; H27-L127 VanDerWaalsContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 3.44Å; L127-R132 CarbonylContact C-O 3.58Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.33Å; L127-V189 HydrophobicContact CD2-CB 4.13Å; L127-V189 HydrophobicContact CD2-CG1 3.8Å; L127-V189 HydrophobicContact CD2-CG2 3.73Å; L127-L192 HydrophobicContact CB-CD2 4.47Å; L127-L192 HydrophobicContact CD1-CB 4.24Å; L127-L192 HydrophobicContact CD1-CD2 3.69Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.22Å; L127-R193 HydrophobicContact CD1-CG 3.95Å
128	G	93.2	Very high	96.1	Very high	10 Å²	10	43.1 Å²	43.1	10%	0.103	22%	0.218	C	C	.	.			trans	-69.9	174	165.9	0	0	0	0	0	111.8	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.97Å; G128-D130 VanDerWaalsContact O-N 3.16Å; G128-G131 WeakPolarHBondContact O-CA 3.46Å; G128-G131 PolarHBondContact O-N 2.83Å; G128-R132 PolarHBondContact N-O 2.95Å
129	P	88.7	Confident	96.1	Very high	92 Å²	92	44.9 Å²	44.9	60%	0.597	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	178	-18.8	27.6	0	0	0	113.9	A24 G131	A24-P129 HydrophobicContact CB-CB 4.27Å; A24-P129 HydrophobicContact CB-CG 3.27Å; P129-G131 PolarHBondContact O-N 2.91Å
130	D	88.4	Confident	96.1	Very high	105 Å²	105	45.7 Å²	45.7	56%	0.561	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	2.9	174.5	70.8	-14.6	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 2.97Å; G128-D130 VanDerWaalsContact O-N 3.16Å; D130-R132 PolarHBondContact O-N 2.86Å; D130-R132 WeakPolarHBondContact OD1-CB 3.44Å; D130-R132 PolarHBondContact OD1-N 3.04Å; D130-R132 WeakPolarHBondContact OD2-CD 3.29Å; D130-R132 WeakPolarHBondContact OD2-CG 3.4Å; D130-R132 IonicContact OD2-NE 2.92Å
131	G	88.6	Confident	96.1	Very high	21 Å²	21	42.8 Å²	42.8	22%	0.216	22%	0.216	C	C	.	.	S	Bend	trans	72	9.7	-178.7	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.46Å; G128-G131 PolarHBondContact O-N 2.83Å; P129-G131 PolarHBondContact O-N 2.91Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3Å; G131-R193 VanDerWaalsContact O-NE 3.07Å; G131-R193 PolarHBondContact O-NH2 3.16Å
132	R	93.6	Very high	96.1	Very high	174 Å²	174	42.5 Å²	42.5	66%	0.657	22%	0.215	S	C	*	.	S	Bend	trans	-89.4	155.9	178.3	-61.3	-173.5	-175.5	172	-1.7	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.58Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.33Å; G128-R132 PolarHBondContact N-O 2.95Å; D130-R132 PolarHBondContact O-N 2.86Å; D130-R132 WeakPolarHBondContact OD1-CB 3.44Å; D130-R132 PolarHBondContact OD1-N 3.04Å; D130-R132 WeakPolarHBondContact OD2-CD 3.29Å; D130-R132 WeakPolarHBondContact OD2-CG 3.4Å; D130-R132 IonicContact OD2-NE 2.92Å; R132-L134 PolarHBondContact O-N 3.41Å; R132-L134 VanDerWaalsContact O-N 3.11Å
133	L	96.6	Very high	96.1	Very high	52 Å²	52	44.5 Å²	44.5	27%	0.272	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	117.6	174.6	-177	71.9	0	0	0	109.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.49Å; L133-L154 HydrophobicContact CD2-CD1 4.14Å; L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L133-V189 HydrophobicContact CB-CG2 3.97Å; L133-V189 HydrophobicContact CD1-CG2 3.97Å
134	L	96.1	Very high	96.1	Very high	121 Å²	121	47.1 Å²	47.1	63%	0.634	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	-45.6	171.3	-179.9	62.9	0	0	0	110.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.34Å; D126-L134 PolarHBondContact O-N 2.93Å; R132-L134 PolarHBondContact O-N 3.41Å; R132-L134 VanDerWaalsContact O-N 3.11Å
135	R	96.6	Very high	96.1	Very high	95 Å²	95	54.8 Å²	54.8	36%	0.358	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	143.8	-177	-173.8	163.6	175.3	135.3	11.3	111.7	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.53Å; C125-R135 VanDerWaalsContact CA-O 3.32Å; C125-R135 WeakPolarHBondContact CA-O 3.29Å; D126-R135 HydrophobicContact CB-CB 4.34Å; D126-R135 PolarHBondContact N-O 3.45Å; D126-R135 PolarHBondContact O-N 3.09Å; L133-R135 WeakPolarHBondContact CD1-O 3.49Å; R135-Y137 HydrophobicContact CB-CE2 4.26Å; R135-Y137 VanDerWaalsContact CD-OH 3.27Å; R135-Y137 WeakPolarHBondContact CD-OH 3.27Å; R135-Y137 HydrophobicContact CG-CE1 4.06Å; R135-Y137 HydrophobicContact CG-CE2 3.92Å; R135-E152 IonicContact CZ-OE1 3.68Å; R135-E152 VanDerWaalsContact NH1-CD 3.26Å; R135-E152 IonicContact NH1-OE1 3.6Å; R135-E152 PolarHBondContact NH1-OE1 3.22Å; R135-E152 IonicContact NH1-OE2 3.19Å; R135-E152 IonicContact NH2-OE1 3.63Å; R135-E152 PolarHBondContact NH2-OE1 3.02Å
136	G	97.9	Very high	96.1	Very high	6 Å²	6	60.7 Å²	60.7	6%	0.062	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.3	170.9	0	0	0	0	0	111.2
137	Y	98.1	Very high	96.2	Very high	40 Å²	40	60.1 Å²	60.1	16%	0.157	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.4	-179.4	-54	-93.1	0	0	0	110.7	M122 C123 G124 D126 R135	M122-Y137 HydrophobicContact CE-CD1 3.97Å; M122-Y137 HydrophobicContact CE-CG 3.93Å; M122-Y137 HydrophobicContact SD-CG 4.43Å; C123-Y137 WeakPolarHBondContact CA-O 3.47Å; C123-Y137 WeakPolarHBondContact CB-O 3.4Å; G124-Y137 PolarHBondContact N-O 3.4Å; G124-Y137 VanDerWaalsContact N-O 3.08Å; G124-Y137 PolarHBondContact O-N 3.2Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.39Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D126-Y137 PolarHBondContact OD2-OH 3.34Å; R135-Y137 HydrophobicContact CB-CE2 4.26Å; R135-Y137 VanDerWaalsContact CD-OH 3.27Å; R135-Y137 WeakPolarHBondContact CD-OH 3.27Å; R135-Y137 HydrophobicContact CG-CE1 4.06Å; R135-Y137 HydrophobicContact CG-CE2 3.92Å
138	D	98.4	Very high	96.3	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	101.4	165.9	-164.1	-43.3	0	0	0	108	W121 M122 Y140 L150 R180	W121-D138 PolarHBondContact NE1-OD1 2.88Å; M122-D138 WeakPolarHBondContact O-CA 3.44Å; D138-Y140 VanDerWaalsContact OD1-CE2 3.23Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.37Å; D138-L150 HydrophobicContact CB-CB 3.93Å; D138-L150 HydrophobicContact CB-CD2 4.09Å; D138-L150 WeakPolarHBondContact O-CB 3.03Å; D138-L150 PolarHBondContact O-N 2.86Å; D138-R180 WeakPolarHBondContact OD2-CD 3.5Å; D138-R180 WeakPolarHBondContact OD2-CG 3.35Å; D138-R180 IonicContact OD2-CZ 3.47Å; D138-R180 IonicContact OD2-NE 3.32Å; D138-R180 PolarHBondContact OD2-NE 3.06Å; D138-R180 IonicContact OD2-NH1 2.7Å
139	Q	98.6	Very high	96.5	Very high	76 Å²	76	61.2 Å²	61.2	36%	0.355	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.8	-173.2	64.7	-170.6	66.3	0	0	112.4	W121 M122 A149	W121-Q139 WeakPolarHBondContact CA-O 3.39Å; M122-Q139 HydrophobicContact CB-CG 4.07Å; M122-Q139 VanDerWaalsContact CE-CD 3.49Å; M122-Q139 HydrophobicContact CE-CG 3.89Å; M122-Q139 PolarHBondContact N-O 3.48Å; M122-Q139 PolarHBondContact O-N 3.43Å; Q139-A149 HydrophobicContact CB-CB 3.87Å
140	Y	98.8	Very high	97	Very high	19 Å²	19	57.5 Å²	57.5	8%	0.075	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.4	-179	-68.4	-100.4	0	0	0	110.8	L119 Q120 W121 D138 Y147 I148 W171	L119-Y140 HydrophobicContact CD1-CD1 4.12Å; Q120-Y140 CarbonylContact O-C 3.59Å; Q120-Y140 VanDerWaalsContact O-CA 3.25Å; Q120-Y140 WeakPolarHBondContact O-CA 3.34Å; W121-Y140 HydrophobicContact CB-CD1 3.64Å; W121-Y140 HydrophobicContact CB-CE1 3.47Å; W121-Y140 VanDerWaalsContact CB-CE1 3.47Å; W121-Y140 HydrophobicContact CB-CG 4.37Å; W121-Y140 AromaticContact CD1-CD1 3.96Å; W121-Y140 AromaticContact CD1-CD2 3.74Å; W121-Y140 AromaticContact CD1-CE1 3.61Å; W121-Y140 AromaticContact CD1-CE2 3.35Å; W121-Y140 AromaticContact CD1-CZ 3.28Å; W121-Y140 AromaticContact CD2-CE1 3.88Å; W121-Y140 HydrophobicContact CD2-CE1 3.88Å; W121-Y140 HydrophobicContact CD2-CE2 4.4Å; W121-Y140 AromaticContact CD2-CZ 3.64Å; W121-Y140 AromaticContact CE2-CZ 3.72Å; W121-Y140 VanDerWaalsContact CE2-OH 3.26Å; W121-Y140 AromaticContact CG-CD1 3.88Å; W121-Y140 HydrophobicContact CG-CD1 3.88Å; W121-Y140 HydrophobicContact CG-CD2 4.44Å; W121-Y140 AromaticContact CG-CE1 3.37Å; W121-Y140 HydrophobicContact CG-CE1 3.37Å; W121-Y140 AromaticContact CG-CE2 3.98Å; W121-Y140 HydrophobicContact CG-CE2 3.98Å; W121-Y140 HydrophobicContact CG-CG 4.4Å; W121-Y140 AromaticContact CG-CZ 3.42Å; W121-Y140 VanDerWaalsContact CG-CZ 3.42Å; W121-Y140 AromaticContact NE1-CE2 3.44Å; W121-Y140 AromaticContact NE1-CZ 3.44Å; W121-Y140 PolarHBondContact NE1-OH 3.43Å; D138-Y140 VanDerWaalsContact OD1-CE2 3.23Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.37Å; Y140-Y147 WeakPolarHBondContact O-CB 3.13Å; Y140-Y147 PolarHBondContact O-N 3.29Å; Y140-I148 HydrophobicContact CD2-CG2 4.16Å; Y140-I148 HydrophobicContact CG-CG2 4.5Å; Y140-I148 PolarHBondContact N-O 3.49Å; Y140-I148 PolarHBondContact O-N 3.33Å; Y140-W171 AromaticContact CD2-CH2 3.72Å; Y140-W171 HydrophobicContact CD2-CH2 3.72Å; Y140-W171 HydrophobicContact CD2-CZ3 4.23Å; Y140-W171 AromaticContact CE2-CH2 3.42Å; Y140-W171 HydrophobicContact CE2-CH2 3.42Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.42Å; Y140-W171 HydrophobicContact CE2-CZ2 4.41Å; Y140-W171 HydrophobicContact CE2-CZ3 4.07Å
141	A	98.8	Very high	97.5	Very high	16 Å²	16	54.6 Å²	54.6	13%	0.132	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.7	171.1	0	0	0	0	0	110.4	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 3.47Å; Q120-A141 PolarHBondContact O-N 2.94Å; A141-K145 CarbonylContact C-O 3.51Å; A141-K145 WeakPolarHBondContact CA-O 3.32Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.43Å
142	Y	98.8	Very high	97.9	Very high	10 Å²	10	60.2 Å²	60.2	4%	0.039	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.2	178.1	-174.7	-120.5	0	0	0	110.2	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.03Å; L105-Y142 HydrophobicContact CB-CD1 4.34Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 3.97Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.62Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.05Å; L105-Y142 HydrophobicContact CD2-CG 4.45Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.49Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.54Å; Y109-Y142 HydrophobicContact CD2-CE1 3.54Å; Y109-Y142 AromaticContact CE2-CD1 3.53Å; Y109-Y142 HydrophobicContact CE2-CD1 3.53Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.45Å; Q111-Y142 PolarHBondContact OE1-OH 2.65Å; H117-Y142 HydrophobicContact CB-CE2 3.8Å; H117-Y142 WeakPolarHBondContact CB-OH 3.48Å; H117-Y142 AromaticContact CG-CZ 3.99Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.96Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.46Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.16Å; Y142-G144 PolarHBondContact O-N 3.28Å; Y142-K145 PolarHBondContact N-O 3.3Å; Y142-K145 PolarHBondContact O-N 2.91Å
143	D	98.3	Very high	98.1	Very high	66 Å²	66	55.7 Å²	55.7	35%	0.353	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	39.3	-174.6	-66.4	-22	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.89Å; H117-D143 WeakPolarHBondContact CA-OD1 3.32Å; H117-D143 WeakPolarHBondContact CB-OD1 3.04Å; H117-D143 IonicContact CE1-OD2 3.18Å; H117-D143 IonicContact CG-OD1 3.6Å; H117-D143 IonicContact CG-OD2 3.47Å; H117-D143 IonicContact ND1-OD1 3.05Å; H117-D143 IonicContact ND1-OD2 3.38Å; H117-D143 PolarHBondContact ND1-OD2 2.93Å; T118-D143 PolarHBondContact N-OD1 2.9Å; T118-D143 PolarHBondContact O-N 3.02Å; D143-K145 VanDerWaalsContact C-N 3.34Å; D143-K145 PolarHBondContact O-N 3.35Å
144	G	97.4	Very high	98.2	Very high	59 Å²	59	53.8 Å²	53.8	61%	0.608	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	8.8	177.6	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 3.28Å
145	K	98.5	Very high	98.2	Very high	162 Å²	162	56 Å²	56	70%	0.704	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.5	176.5	-61.5	-179.3	-177	178.7	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.51Å; A141-K145 WeakPolarHBondContact CA-O 3.32Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.43Å; Y142-K145 PolarHBondContact N-O 3.3Å; Y142-K145 PolarHBondContact O-N 2.91Å; D143-K145 VanDerWaalsContact C-N 3.34Å; D143-K145 PolarHBondContact O-N 3.35Å; K145-Y147 PolarHBondContact O-N 2.91Å
146	D	98.7	Very high	98.3	Very high	124 Å²	124	53.4 Å²	53.4	66%	0.663	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.7	136.3	173.7	-66.4	-32.4	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.45Å; D146-A160 WeakPolarHBondContact O-CB 3.47Å
147	Y	98.8	Very high	98.3	Very high	10 Å²	10	53.6 Å²	53.6	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-63.5	-179.4	179.1	-111.5	0	0	0	110.7	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.3Å; L105-Y147 HydrophobicContact CD2-CD2 4.03Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.44Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.44Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å; Y109-Y147 HydrophobicContact CE2-CD2 4.44Å; Y109-Y147 HydrophobicContact CE2-CE2 4.16Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.47Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.3Å; Y140-Y147 WeakPolarHBondContact O-CB 3.13Å; Y140-Y147 PolarHBondContact O-N 3.29Å; K145-Y147 PolarHBondContact O-N 2.91Å; Y147-A160 WeakPolarHBondContact O-CB 3.2Å; Y147-A160 PolarHBondContact O-N 2.82Å; Y147-A163 PolarHBondContact OH-O 3.47Å; Y147-A163 VanDerWaalsContact OH-O 3.12Å; Y147-A164 HydrophobicContact CD2-CB 3.8Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.63Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.32Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 WeakPolarHBondContact OH-CB 3.46Å; Y147-T167 PolarHBondContact OH-OG1 3.25Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	140.9	178.3	-163	172.8	0	0	0	110.2	Y140 W157 T158 T167 Q168 W171	Y140-I148 HydrophobicContact CD2-CG2 4.16Å; Y140-I148 HydrophobicContact CG-CG2 4.5Å; Y140-I148 PolarHBondContact N-O 3.49Å; Y140-I148 PolarHBondContact O-N 3.33Å; I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.42Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; I148-T158 WeakPolarHBondContact CA-O 3.45Å; I148-T158 WeakPolarHBondContact CG1-O 3.47Å; I148-T167 HydrophobicContact CD1-CG2 4.26Å; I148-Q168 HydrophobicContact CD1-CB 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.09Å; I148-W171 HydrophobicContact CD1-CZ3 4.28Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.68Å
149	A	98.8	Very high	98.4	Very high	32 Å²	32	56.5 Å²	56.5	26%	0.264	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.6	179.1	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.87Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.23Å; A149-T158 PolarHBondContact N-O 3.13Å; A149-T158 PolarHBondContact O-N 3.42Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	55.8 Å²	55.8	7%	0.073	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.7	168.3	-174.5	67	0	0	0	108.5	D138 L154 W157 A177 R180 L184	D138-L150 HydrophobicContact CB-CB 3.93Å; D138-L150 HydrophobicContact CB-CD2 4.09Å; D138-L150 WeakPolarHBondContact O-CB 3.03Å; D138-L150 PolarHBondContact O-N 2.86Å; L150-L154 HydrophobicContact CD2-CB 4.42Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; L150-W157 HydrophobicContact CB-CE3 3.99Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.64Å; L150-W157 HydrophobicContact CD1-CD2 4.13Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.05Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.24Å; L150-A177 HydrophobicContact CD1-CB 3.94Å; L150-R180 HydrophobicContact CD2-CB 4.04Å; L150-L184 HydrophobicContact CD2-CD1 4.01Å
151	N	98.6	Very high	98.3	Very high	45 Å²	45	57.5 Å²	57.5	24%	0.241	32%	0.319	C	S	.	.			trans	-72.4	164	-179.8	-66.9	-29.1	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.24Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 WeakPolarHBondContact O-CA 3.24Å; N151-L154 PolarHBondContact O-N 3.34Å; N151-S156 WeakPolarHBondContact CB-O 3.35Å; N151-S156 WeakPolarHBondContact CB-OG 3.45Å; N151-S156 PolarHBondContact N-O 3.32Å; N151-S156 PolarHBondContact ND2-O 2.77Å; N151-S156 PolarHBondContact ND2-OG 2.75Å; N151-T158 PolarHBondContact ND2-OG1 3.36Å; N151-T158 WeakPolarHBondContact OD1-CB 3.41Å; N151-T158 PolarHBondContact OD1-OG1 2.89Å
152	E	97.4	Very high	98.3	Very high	139 Å²	139	62 Å²	62	65%	0.65	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.7	-179.8	-66.5	178.1	-166.8	0	0	113.5	R135 L154	R135-E152 IonicContact CZ-OE1 3.68Å; R135-E152 VanDerWaalsContact NH1-CD 3.26Å; R135-E152 IonicContact NH1-OE1 3.6Å; R135-E152 PolarHBondContact NH1-OE1 3.22Å; R135-E152 IonicContact NH1-OE2 3.19Å; R135-E152 IonicContact NH2-OE1 3.63Å; R135-E152 PolarHBondContact NH2-OE1 3.02Å; E152-L154 PolarHBondContact O-N 2.86Å
153	D	97.4	Very high	98.3	Very high	79 Å²	79	61.7 Å²	61.7	42%	0.422	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.2	173.9	70.5	4	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.24Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-R155 WeakPolarHBondContact O-CG 3.36Å; D153-R155 PolarHBondContact O-N 2.89Å; D153-R155 PolarHBondContact OD1-N 3.5Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.21Å; D153-S156 PolarHBondContact OD1-OG 2.7Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.35Å; D153-S156 PolarHBondContact OD2-OG 3.07Å
154	L	98	Very high	98.3	Very high	11 Å²	11	58.5 Å²	58.5	6%	0.058	33%	0.327	C	S	.	.	S	Bend	trans	53.5	27.8	-175.2	-53.2	-179.1	0	0	0	113.8	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.14Å; L150-L154 HydrophobicContact CD2-CB 4.42Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; N151-L154 WeakPolarHBondContact O-CA 3.24Å; N151-L154 PolarHBondContact O-N 3.34Å; E152-L154 PolarHBondContact O-N 2.86Å; L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L154-E185 HydrophobicContact CD1-CG 4.22Å
155	R	97.6	Very high	98.4	Very high	168 Å²	168	59.2 Å²	59.2	63%	0.634	32%	0.315	S	S	*	.	S	Bend	trans	-135.1	-33	-173.6	-71.1	170.9	-174.3	-126	8.5	112.9	D153 A177	D153-R155 WeakPolarHBondContact O-CG 3.36Å; D153-R155 PolarHBondContact O-N 2.89Å; D153-R155 PolarHBondContact OD1-N 3.5Å; R155-A177 WeakPolarHBondContact O-CB 3.32Å
156	S	98	Very high	98.4	Very high	40 Å²	40	54.3 Å²	54.3	28%	0.28	30%	0.296	S	S	.	.			trans	-114.1	161.1	-177.6	63.5	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.35Å; N151-S156 WeakPolarHBondContact CB-OG 3.45Å; N151-S156 PolarHBondContact N-O 3.32Å; N151-S156 PolarHBondContact ND2-O 2.77Å; N151-S156 PolarHBondContact ND2-OG 2.75Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.21Å; D153-S156 PolarHBondContact OD1-OG 2.7Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.35Å; D153-S156 PolarHBondContact OD2-OG 3.07Å
157	W	98.7	Very high	98.4	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.038	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.1	-178	-61.1	91.9	0	0	0	110.9	I148 A149 L150 Q168 W171 E176 A177 R180	I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.42Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.28Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.23Å; L150-W157 HydrophobicContact CB-CE3 3.99Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.64Å; L150-W157 HydrophobicContact CD1-CD2 4.13Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.05Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.24Å; W157-Q168 HydrophobicContact CB-CG 4.17Å; W157-Q168 PolarHBondContact O-NE2 3.16Å; W157-W171 AromaticContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CZ3 4.47Å; W157-W171 AromaticContact CE2-CE3 3.8Å; W157-W171 AromaticContact CE3-CE3 3.84Å; W157-W171 HydrophobicContact CE3-CE3 3.84Å; W157-W171 AromaticContact CE3-CZ3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 3.89Å; W157-W171 AromaticContact CH2-CE3 3.47Å; W157-W171 HydrophobicContact CH2-CE3 3.47Å; W157-W171 VanDerWaalsContact CH2-CE3 3.47Å; W157-W171 AromaticContact CH2-CZ3 3.47Å; W157-W171 HydrophobicContact CH2-CZ3 3.47Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.47Å; W157-W171 HydrophobicContact CZ2-CD2 4.48Å; W157-W171 AromaticContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CZ3 4.09Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.36Å; W157-W171 HydrophobicContact CZ3-CZ3 3.36Å; W157-E176 HydrophobicContact CZ2-CB 4.26Å; W157-A177 HydrophobicContact CZ2-CB 4.29Å; W157-R180 HydrophobicContact CH2-CG 4.33Å
158	T	98.7	Very high	98.3	Very high	80 Å²	80	50.6 Å²	50.6	49%	0.491	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.4	166.5	-66.3	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.45Å; I148-T158 WeakPolarHBondContact CG1-O 3.47Å; A149-T158 PolarHBondContact N-O 3.13Å; A149-T158 PolarHBondContact O-N 3.42Å; N151-T158 PolarHBondContact ND2-OG1 3.36Å; N151-T158 WeakPolarHBondContact OD1-CB 3.41Å; N151-T158 PolarHBondContact OD1-OG1 2.89Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	57.7 Å²	57.7	19%	0.19	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.4	176.3	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.7Å; A159-Q165 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.38Å
160	A	98.5	Very high	98.3	Very high	61 Å²	61	61.5 Å²	61.5	50%	0.504	31%	0.313	S	S	.	.	S	Bend	trans	-74.2	-31.3	-176.1	0	0	0	0	0	113.5	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.45Å; D146-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 WeakPolarHBondContact O-CB 3.2Å; Y147-A160 PolarHBondContact O-N 2.82Å
161	D	98.3	Very high	98.3	Very high	54 Å²	54	63.2 Å²	63.2	29%	0.289	32%	0.318	S	S	.	.	S	Bend	trans	-150.9	-175.9	-178.4	68.1	27.3	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.33Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 2.82Å; Y109-D161 VanDerWaalsContact OH-OD1 3.14Å; Y109-D161 PolarHBondContact OH-OD2 2.91Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.49Å; D161-A163 PolarHBondContact OD1-N 3.34Å; D161-A164 WeakPolarHBondContact O-CB 3.49Å; D161-A164 PolarHBondContact O-N 2.74Å; D161-A164 PolarHBondContact OD1-N 2.76Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 2.91Å
162	T	98.3	Very high	98.3	Very high	111 Å²	111	65.7 Å²	65.7	68%	0.681	33%	0.328	S	S	*	.	H	α-helix	trans	-65.5	-28.1	-178.9	59	0	0	0	0	113.9
163	A	98.2	Very high	98.3	Very high	3 Å²	3	63.2 Å²	63.2	3%	0.025	33%	0.332	C	S	.	.	H	α-helix	trans	-74.8	-38.1	174.9	0	0	0	0	0	110.7	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.41Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 PolarHBondContact OH-O 3.47Å; Y147-A163 VanDerWaalsContact OH-O 3.12Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.49Å; D161-A163 PolarHBondContact OD1-N 3.34Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; A163-I166 WeakPolarHBondContact O-CB 3.38Å; A163-I166 PolarHBondContact O-N 3.08Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-35.5	172.1	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.8Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.63Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.32Å; A159-A164 HydrophobicContact CB-CB 3.7Å; D161-A164 WeakPolarHBondContact O-CB 3.49Å; D161-A164 PolarHBondContact O-N 2.74Å; D161-A164 PolarHBondContact OD1-N 2.76Å; A164-I166 PolarHBondContact O-N 3.05Å; A164-T167 WeakPolarHBondContact O-CB 3.49Å; A164-T167 PolarHBondContact O-N 2.84Å; A164-Q168 PolarHBondContact O-N 3.33Å
165	Q	98.7	Very high	98.3	Very high	74 Å²	74	69 Å²	69	35%	0.346	36%	0.358	S	S	.	.	H	α-helix	trans	-60.2	-28.1	174.3	-71.6	173.7	10.6	0	0	113	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.01Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 2.91Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.5Å; Q165-R169 PolarHBondContact O-N 3.29Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.4	Very high	98.3	Very high	59 Å²	59	63.3 Å²	63.3	30%	0.303	34%	0.339	S	S	.	.	H	α-helix	trans	-64.7	-45.4	173.9	-59.4	170.5	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.09Å; Y108-I166 HydrophobicContact CE1-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.02Å; Y108-I166 HydrophobicContact CE2-CB 4.35Å; Y108-I166 HydrophobicContact CE2-CG2 4.15Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; A163-I166 WeakPolarHBondContact O-CB 3.38Å; A163-I166 PolarHBondContact O-N 3.08Å; A164-I166 PolarHBondContact O-N 3.05Å; I166-K170 WeakPolarHBondContact O-CG 2.98Å; I166-K170 PolarHBondContact O-N 2.83Å
167	T	98.4	Very high	98.4	Very high	16 Å²	16	61.8 Å²	61.8	10%	0.098	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-43.7	177.5	-66	0	0	0	0	111.4	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 WeakPolarHBondContact OH-CB 3.46Å; Y147-T167 PolarHBondContact OH-OG1 3.25Å; I148-T167 HydrophobicContact CD1-CG2 4.26Å; A164-T167 WeakPolarHBondContact O-CB 3.49Å; A164-T167 PolarHBondContact O-N 2.84Å; T167-R169 PolarHBondContact O-N 2.87Å; T167-K170 WeakPolarHBondContact O-CB 3.5Å; T167-K170 PolarHBondContact O-N 2.85Å; T167-K170 VanDerWaalsContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.74Å; T167-W171 VanDerWaalsContact CG2-CE2 3.5Å; T167-W171 HydrophobicContact CG2-CE3 4.23Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CH2 4.25Å; T167-W171 HydrophobicContact CG2-CZ2 3.79Å; T167-W171 HydrophobicContact CG2-CZ3 4.45Å; T167-W171 PolarHBondContact O-N 2.86Å
168	Q	98.7	Very high	98.3	Very high	39 Å²	39	66.8 Å²	66.8	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-50.8	-53.2	175	177.1	174.4	17.5	0	0	111.7	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.87Å; W157-Q168 HydrophobicContact CB-CG 4.17Å; W157-Q168 PolarHBondContact O-NE2 3.16Å; A159-Q168 HydrophobicContact CB-CB 4.38Å; A164-Q168 PolarHBondContact O-N 3.33Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.12Å; Q168-W171 PolarHBondContact O-N 3.36Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.13Å; Q168-E172 PolarHBondContact NE2-OE1 2.91Å; Q168-E172 WeakPolarHBondContact O-CB 3.39Å; Q168-E172 WeakPolarHBondContact O-CG 3.27Å; Q168-E172 PolarHBondContact O-N 3.36Å
169	R	98.6	Very high	98.2	Very high	154 Å²	154	68.9 Å²	68.9	58%	0.581	36%	0.357	S	S	*	.	H	α-helix	trans	-60.1	-37.9	179.8	-68.4	170.7	-165.7	148.9	8.5	112.6	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.5Å; Q165-R169 PolarHBondContact O-N 3.29Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 2.87Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.36Å; R169-A173 PolarHBondContact O-N 2.83Å; R169-A173 VanDerWaalsContact O-N 3.08Å
170	K	98.3	Very high	98.2	Very high	111 Å²	111	70.3 Å²	70.3	48%	0.483	36%	0.357	S	S	.	.	H	α-helix	trans	-66.2	-44.5	176.9	-70.6	179.4	179.8	-173.7	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.91Å; I166-K170 WeakPolarHBondContact O-CG 2.98Å; I166-K170 PolarHBondContact O-N 2.83Å; T167-K170 WeakPolarHBondContact O-CB 3.5Å; T167-K170 PolarHBondContact O-N 2.85Å; T167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.12Å; K170-A173 PolarHBondContact O-N 2.62Å; K170-A174 WeakPolarHBondContact O-CB 3.38Å; K170-A174 PolarHBondContact O-N 3.23Å
171	W	98.3	Very high	98.2	Very high	50 Å²	50	70.8 Å²	70.8	19%	0.189	35%	0.346	C	S	.	.	H	α-helix	trans	-71.4	-36.8	-178.6	-74.3	5	0	0	0	112.9	Y140 I148 W157 T167 Q168 A174 R175 E176	Y140-W171 AromaticContact CD2-CH2 3.72Å; Y140-W171 HydrophobicContact CD2-CH2 3.72Å; Y140-W171 HydrophobicContact CD2-CZ3 4.23Å; Y140-W171 AromaticContact CE2-CH2 3.42Å; Y140-W171 HydrophobicContact CE2-CH2 3.42Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.42Å; Y140-W171 HydrophobicContact CE2-CZ2 4.41Å; Y140-W171 HydrophobicContact CE2-CZ3 4.07Å; I148-W171 HydrophobicContact CD1-CE3 4.09Å; I148-W171 HydrophobicContact CD1-CZ3 4.28Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 3.97Å; I148-W171 HydrophobicContact CG2-CZ3 3.68Å; W157-W171 AromaticContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CE3 3.96Å; W157-W171 HydrophobicContact CD2-CZ3 4.47Å; W157-W171 AromaticContact CE2-CE3 3.8Å; W157-W171 AromaticContact CE3-CE3 3.84Å; W157-W171 HydrophobicContact CE3-CE3 3.84Å; W157-W171 AromaticContact CE3-CZ3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 3.89Å; W157-W171 AromaticContact CH2-CE3 3.47Å; W157-W171 HydrophobicContact CH2-CE3 3.47Å; W157-W171 VanDerWaalsContact CH2-CE3 3.47Å; W157-W171 AromaticContact CH2-CZ3 3.47Å; W157-W171 HydrophobicContact CH2-CZ3 3.47Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.47Å; W157-W171 HydrophobicContact CZ2-CD2 4.48Å; W157-W171 AromaticContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CZ3 4.09Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 AromaticContact CZ3-CZ3 3.36Å; W157-W171 HydrophobicContact CZ3-CZ3 3.36Å; T167-W171 HydrophobicContact CG2-CD2 3.74Å; T167-W171 VanDerWaalsContact CG2-CE2 3.5Å; T167-W171 HydrophobicContact CG2-CE3 4.23Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CH2 4.25Å; T167-W171 HydrophobicContact CG2-CZ2 3.79Å; T167-W171 HydrophobicContact CG2-CZ3 4.45Å; T167-W171 PolarHBondContact O-N 2.86Å; Q168-W171 PolarHBondContact O-N 3.36Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 3.21Å; W171-R175 WeakPolarHBondContact O-CA 3.41Å; W171-R175 PolarHBondContact O-N 3.31Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CD2-CG 4.44Å; W171-E176 HydrophobicContact CG-CB 4.13Å; W171-E176 HydrophobicContact CG-CG 3.78Å; W171-E176 PolarHBondContact O-N 2.84Å
172	E	98.4	Very high	98.1	Very high	97 Å²	97	71.3 Å²	71.3	45%	0.453	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-45.3	171.5	-73.1	170.6	175.1	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.13Å; Q168-E172 PolarHBondContact NE2-OE1 2.91Å; Q168-E172 WeakPolarHBondContact O-CB 3.39Å; Q168-E172 WeakPolarHBondContact O-CG 3.27Å; Q168-E172 PolarHBondContact O-N 3.36Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.01Å; E172-R175 PolarHBondContact O-N 2.88Å; E172-R175 VanDerWaalsContact O-N 3.14Å
173	A	98.4	Very high	98.1	Very high	87 Å²	87	68.9 Å²	68.9	72%	0.719	34%	0.337	S	S	*	.	H	α-helix	trans	-63.2	-35.1	176.5	0	0	0	0	0	112.6	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.36Å; R169-A173 PolarHBondContact O-N 2.83Å; R169-A173 VanDerWaalsContact O-N 3.08Å; K170-A173 PolarHBondContact O-N 2.62Å
174	A	97.9	Very high	98.1	Very high	53 Å²	53	68.7 Å²	68.7	44%	0.438	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.5	176.8	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.38Å; K170-A174 PolarHBondContact O-N 3.23Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 3.21Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.01Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 3.02Å
175	R	97.7	Very high	98.1	Very high	158 Å²	158	73 Å²	73	60%	0.596	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	38.3	-176.3	-55.9	-179.5	173.5	-153.7	4	113.9	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.41Å; W171-R175 PolarHBondContact O-N 3.31Å; E172-R175 PolarHBondContact O-N 2.88Å; E172-R175 VanDerWaalsContact O-N 3.14Å; R175-A177 PolarHBondContact O-N 3.41Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.49Å; R175-E178 IonicContact NH1-OE1 3.59Å; R175-E178 PolarHBondContact NH1-OE1 3.42Å; R175-E178 IonicContact NH1-OE2 3.57Å; R175-E178 WeakPolarHBondContact O-CB 3.38Å; R175-E178 PolarHBondContact O-N 2.95Å
176	E	97.5	Very high	98	Very high	49 Å²	49	70.6 Å²	70.6	23%	0.229	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-34	-178.2	-69.3	-68.9	169.9	0	0	112.6	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.26Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CD2-CG 4.44Å; W171-E176 HydrophobicContact CG-CB 4.13Å; W171-E176 HydrophobicContact CG-CG 3.78Å; W171-E176 PolarHBondContact O-N 2.84Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 3.02Å; E176-E178 PolarHBondContact O-N 3.25Å; E176-Q179 PolarHBondContact O-N 3.38Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; E176-R180 WeakPolarHBondContact O-CG 3.22Å; E176-R180 PolarHBondContact O-N 2.61Å
177	A	98.2	Very high	98	Very high	9 Å²	9	70.2 Å²	70.2	7%	0.074	35%	0.351	C	S	.	.	H	α-helix	trans	-58.4	-34.8	177.6	0	0	0	0	0	112.7	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 3.94Å; R155-A177 WeakPolarHBondContact O-CB 3.32Å; W157-A177 HydrophobicContact CZ2-CB 4.29Å; R175-A177 PolarHBondContact O-N 3.41Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.14Å; A177-R180 PolarHBondContact O-N 2.82Å; A177-R181 WeakPolarHBondContact O-CB 3.42Å; A177-R181 PolarHBondContact O-N 3.49Å
178	E	97.9	Very high	98	Very high	114 Å²	114	69.5 Å²	69.5	53%	0.533	35%	0.346	S	S	.	.	H	α-helix	trans	-64.4	-40.3	177.9	-64.3	178.9	-177	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.49Å; R175-E178 IonicContact NH1-OE1 3.59Å; R175-E178 PolarHBondContact NH1-OE1 3.42Å; R175-E178 IonicContact NH1-OE2 3.57Å; R175-E178 WeakPolarHBondContact O-CB 3.38Å; R175-E178 PolarHBondContact O-N 2.95Å; E176-E178 PolarHBondContact O-N 3.25Å; E178-A182 WeakPolarHBondContact O-CB 3.5Å; E178-A182 PolarHBondContact O-N 2.88Å
179	Q	96.5	Very high	98	Very high	124 Å²	124	68 Å²	68	58%	0.579	34%	0.34	S	S	*	.	H	α-helix	trans	-69.8	-43.6	177.6	-60.3	-174.6	21.2	0	0	111.7	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.38Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.14Å; Q179-A182 PolarHBondContact O-N 2.85Å; Q179-Y183 PolarHBondContact O-N 3.08Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å
180	R	97.7	Very high	97.9	Very high	54 Å²	54	66.6 Å²	66.6	20%	0.204	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-44.9	177	-61.4	-46.4	-178.6	160.8	2.3	111.3	D138 L150 W157 E176 A177 A182 Y183 L184	D138-R180 WeakPolarHBondContact OD2-CD 3.5Å; D138-R180 WeakPolarHBondContact OD2-CG 3.35Å; D138-R180 IonicContact OD2-CZ 3.47Å; D138-R180 IonicContact OD2-NE 3.32Å; D138-R180 PolarHBondContact OD2-NE 3.06Å; D138-R180 IonicContact OD2-NH1 2.7Å; L150-R180 HydrophobicContact CD2-CB 4.04Å; W157-R180 HydrophobicContact CH2-CG 4.33Å; E176-R180 WeakPolarHBondContact O-CG 3.22Å; E176-R180 PolarHBondContact O-N 2.61Å; A177-R180 PolarHBondContact O-N 2.82Å; R180-A182 PolarHBondContact O-N 3.37Å; R180-Y183 PolarHBondContact O-N 3.13Å; R180-L184 WeakPolarHBondContact O-CB 3.2Å; R180-L184 VanDerWaalsContact O-CG 3.23Å; R180-L184 WeakPolarHBondContact O-CG 3.28Å; R180-L184 PolarHBondContact O-N 3.21Å
181	R	98.2	Very high	97.9	Very high	70 Å²	70	63.4 Å²	63.4	26%	0.264	33%	0.325	S	S	.	.	H	α-helix	trans	-58.6	-46.5	175	-175.4	172.9	-179.9	-136.4	-14.7	112.3	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; A177-R181 WeakPolarHBondContact O-CB 3.42Å; A177-R181 PolarHBondContact O-N 3.49Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.46Å; R181-L184 PolarHBondContact O-N 3.18Å; R181-E185 HydrophobicContact CG-CG 4.09Å; R181-E185 IonicContact CZ-OE1 3.69Å; R181-E185 VanDerWaalsContact CZ-OE1 3.25Å; R181-E185 IonicContact CZ-OE2 3.64Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.07Å; R181-E185 PolarHBondContact NE-OE1 3.43Å; R181-E185 IonicContact NE-OE2 3.94Å; R181-E185 PolarHBondContact NE-OE2 3.05Å; R181-E185 IonicContact NH2-OE1 3.97Å; R181-E185 PolarHBondContact NH2-OE1 3.36Å; R181-E185 IonicContact NH2-OE2 2.72Å; R181-E185 PolarHBondContact NH2-OE2 3.02Å; R181-E185 WeakPolarHBondContact O-CB 3.48Å; R181-E185 PolarHBondContact O-N 3.17Å
182	A	98.2	Very high	97.9	Very high	65 Å²	65	61 Å²	61	54%	0.537	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-39.2	177.9	0	0	0	0	0	112.7	E178 Q179 R180 G186	E178-A182 WeakPolarHBondContact O-CB 3.5Å; E178-A182 PolarHBondContact O-N 2.88Å; Q179-A182 PolarHBondContact O-N 2.85Å; R180-A182 PolarHBondContact O-N 3.37Å; A182-G186 PolarHBondContact O-N 3.23Å; A182-G186 VanDerWaalsContact O-N 3.13Å
183	Y	97.7	Very high	97.8	Very high	60 Å²	60	62.2 Å²	62.2	24%	0.235	32%	0.316	C	S	.	.	I	π-helix	trans	-65.4	-47.3	173.4	168.7	-100.4	0	0	0	112.1	Q179 R180 R181 T187 C188	Q179-Y183 PolarHBondContact O-N 3.08Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å; R180-Y183 PolarHBondContact O-N 3.13Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.46Å; Y183-T187 HydrophobicContact CD2-CG2 3.95Å; Y183-T187 HydrophobicContact CE2-CG2 3.83Å; Y183-T187 PolarHBondContact O-N 3.35Å; Y183-T187 VanDerWaalsContact O-N 3.08Å; Y183-C188 HydrophobicContact CE1-CB 4.07Å; Y183-C188 WeakPolarHBondContact O-CB 3.36Å; Y183-C188 PolarHBondContact O-N 2.84Å
184	L	98.4	Very high	97.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.304	C	S	.	.	I	π-helix	trans	-69	-42.7	-175.3	-68.8	171.7	0	0	0	112.7	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.34Å; L150-L184 HydrophobicContact CD2-CD1 4.01Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; R180-L184 WeakPolarHBondContact O-CB 3.2Å; R180-L184 VanDerWaalsContact O-CG 3.23Å; R180-L184 WeakPolarHBondContact O-CG 3.28Å; R180-L184 PolarHBondContact O-N 3.21Å; R181-L184 PolarHBondContact O-N 3.18Å; L184-V189 WeakPolarHBondContact O-CG2 3.46Å
185	E	97.9	Very high	97.7	Very high	90 Å²	90	61.3 Å²	61.3	42%	0.421	28%	0.283	S	S	.	.	I	π-helix	trans	-76.7	-24.3	178.3	-69.6	-178.8	165.6	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L154-E185 HydrophobicContact CD1-CG 4.22Å; R181-E185 HydrophobicContact CG-CG 4.09Å; R181-E185 IonicContact CZ-OE1 3.69Å; R181-E185 VanDerWaalsContact CZ-OE1 3.25Å; R181-E185 IonicContact CZ-OE2 3.64Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.07Å; R181-E185 PolarHBondContact NE-OE1 3.43Å; R181-E185 IonicContact NE-OE2 3.94Å; R181-E185 PolarHBondContact NE-OE2 3.05Å; R181-E185 IonicContact NH2-OE1 3.97Å; R181-E185 PolarHBondContact NH2-OE1 3.36Å; R181-E185 IonicContact NH2-OE2 2.72Å; R181-E185 PolarHBondContact NH2-OE2 3.02Å; R181-E185 WeakPolarHBondContact O-CB 3.48Å; R181-E185 PolarHBondContact O-N 3.17Å
186	G	97.7	Very high	97.6	Very high	23 Å²	23	54.5 Å²	54.5	24%	0.237	26%	0.258	C	S	.	.	I	π-helix	trans	-109.1	-89.2	-178	0	0	0	0	0	112.5	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.23Å; A182-G186 VanDerWaalsContact O-N 3.13Å; G186-C188 VanDerWaalsContact C-N 3.34Å; G186-C188 PolarHBondContact O-N 2.98Å; G186-V189 PolarHBondContact O-N 3.5Å; G186-E190 WeakPolarHBondContact O-CG 3.48Å; G186-E190 PolarHBondContact O-N 3.48Å
187	T	97.4	Very high	97.5	Very high	52 Å²	52	58.2 Å²	58.2	32%	0.319	28%	0.276	S	S	.	.	I	π-helix	trans	-55	-44.6	-170.6	-57	0	0	0	0	113.1	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.95Å; Y183-T187 HydrophobicContact CE2-CG2 3.83Å; Y183-T187 PolarHBondContact O-N 3.35Å; Y183-T187 VanDerWaalsContact O-N 3.08Å; T187-V189 PolarHBondContact O-N 3.39Å; T187-E190 PolarHBondContact O-N 3.42Å; T187-W191 VanDerWaalsContact CG2-CD1 3.47Å; T187-W191 WeakPolarHBondContact O-CB 3.46Å; T187-W191 PolarHBondContact O-N 3.26Å
188	C	98.2	Very high	97.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.285	C	S	.	.	I	π-helix	trans	-60	-48.7	-179.5	-171.5	0	0	0	0	111.4	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.2Å; M29-C188 WeakPolarHBondContact CE-O 3.22Å; M29-C188 WeakPolarHBondContact CE-SG 3.46Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 2.8Å; C125-C188 WeakPolarHBondContact SG-CB 3.48Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.94Å; Y183-C188 HydrophobicContact CE1-CB 4.07Å; Y183-C188 WeakPolarHBondContact O-CB 3.36Å; Y183-C188 PolarHBondContact O-N 2.84Å; G186-C188 VanDerWaalsContact C-N 3.34Å; G186-C188 PolarHBondContact O-N 2.98Å; C188-E190 PolarHBondContact O-N 2.89Å; C188-W191 PolarHBondContact O-N 3.08Å; C188-L192 WeakPolarHBondContact O-CB 3.23Å; C188-L192 PolarHBondContact O-N 3.23Å
189	V	98.1	Very high	97.3	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-44.5	178.8	171.8	0	0	0	0	111.3	L127 L133 L184 G186 T187 R193	L127-V189 HydrophobicContact CD2-CB 4.13Å; L127-V189 HydrophobicContact CD2-CG1 3.8Å; L127-V189 HydrophobicContact CD2-CG2 3.73Å; L133-V189 HydrophobicContact CB-CG2 3.97Å; L133-V189 HydrophobicContact CD1-CG2 3.97Å; L184-V189 WeakPolarHBondContact O-CG2 3.46Å; G186-V189 PolarHBondContact O-N 3.5Å; T187-V189 PolarHBondContact O-N 3.39Å; V189-R193 WeakPolarHBondContact O-CG 3.5Å; V189-R193 PolarHBondContact O-N 3.06Å
190	E	97.9	Very high	97.2	Very high	125 Å²	125	54.1 Å²	54.1	58%	0.584	26%	0.256	S	S	*	.	H	α-helix	trans	-61.6	-46.1	178.7	-72.2	174.7	174.4	0	0	112.4	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.48Å; G186-E190 PolarHBondContact O-N 3.48Å; T187-E190 PolarHBondContact O-N 3.42Å; C188-E190 PolarHBondContact O-N 2.89Å; E190-R194 PolarHBondContact O-N 3.44Å; E190-R194 VanDerWaalsContact O-N 3.11Å
191	W	97.9	Very high	96.9	Very high	44 Å²	44	60.2 Å²	60.2	17%	0.167	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-41.3	179.3	-82.2	98	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.04Å; M29-W191 HydrophobicContact SD-CB 4.43Å; Y83-W191 AromaticContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CH2 3.5Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CZ2 4.25Å; Y83-W191 AromaticContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CD2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CE3 4.16Å; Y83-W191 AromaticContact CE2-CH2 3.86Å; Y83-W191 HydrophobicContact CE2-CH2 3.86Å; Y83-W191 AromaticContact CE2-CZ3 3.64Å; Y83-W191 HydrophobicContact CE2-CZ3 3.64Å; T187-W191 VanDerWaalsContact CG2-CD1 3.47Å; T187-W191 WeakPolarHBondContact O-CB 3.46Å; T187-W191 PolarHBondContact O-N 3.26Å; C188-W191 PolarHBondContact O-N 3.08Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.43Å; W191-R194 WeakPolarHBondContact O-CB 3.06Å; W191-R194 PolarHBondContact O-N 3.26Å; W191-R194 VanDerWaalsContact O-N 3.17Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.43Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.29Å; W191-Y195 WeakPolarHBondContact O-CD2 3.45Å; W191-Y195 VanDerWaalsContact O-CG 3.27Å; W191-Y195 PolarHBondContact O-N 3.04Å
192	L	98.1	Very high	96.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-44.5	176.2	174.8	50.6	0	0	0	111.1	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.04Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.26Å; M29-L192 HydrophobicContact SD-CB 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; L127-L192 HydrophobicContact CB-CD2 4.47Å; L127-L192 HydrophobicContact CD1-CB 4.24Å; L127-L192 HydrophobicContact CD1-CD2 3.69Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.23Å; C188-L192 PolarHBondContact O-N 3.23Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.4Å; L192-Y195 PolarHBondContact O-N 3.05Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.35Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.45Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.23Å; L192-L196 PolarHBondContact O-N 3.41Å
193	R	96.7	Very high	96.2	Very high	122 Å²	122	56.1 Å²	56.1	46%	0.46	26%	0.263	S	S	.	.	H	α-helix	trans	-59.1	-43.5	174.1	-72.2	176.1	-175.1	161.2	-0.3	112.5	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.95Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3Å; G131-R193 VanDerWaalsContact O-NE 3.07Å; G131-R193 PolarHBondContact O-NH2 3.16Å; V189-R193 WeakPolarHBondContact O-CG 3.5Å; V189-R193 PolarHBondContact O-N 3.06Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 3.43Å; R193-L196 PolarHBondContact O-N 3.37Å; R193-E197 PolarHBondContact O-N 3.13Å
194	R	96.9	Very high	95.8	Very high	120 Å²	120	57.6 Å²	57.6	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.5	178.2	179	174.9	121.9	-4	111.6	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.34Å; E79-R194 IonicContact OE1-CZ 3.74Å; E79-R194 IonicContact OE1-NE 3.33Å; E79-R194 PolarHBondContact OE1-NE 2.87Å; E79-R194 IonicContact OE1-NH2 3.78Å; E79-R194 PolarHBondContact OE1-NH2 2.88Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 2.77Å; E79-R194 IonicContact OE2-NE 2.76Å; E79-R194 IonicContact OE2-NH2 3.69Å; E79-R194 PolarHBondContact OE2-NH2 3.17Å; E190-R194 PolarHBondContact O-N 3.44Å; E190-R194 VanDerWaalsContact O-N 3.11Å; W191-R194 WeakPolarHBondContact O-CB 3.06Å; W191-R194 PolarHBondContact O-N 3.26Å; W191-R194 VanDerWaalsContact O-N 3.17Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.4Å; R194-E197 PolarHBondContact O-N 3.46Å; R194-N198 WeakPolarHBondContact O-CB 3.34Å; R194-N198 PolarHBondContact O-N 2.79Å; R194-N198 PolarHBondContact O-OD1 3.29Å
195	Y	97.3	Very high	95.4	Very high	1 Å²	1	61.9 Å²	61.9	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-67.9	-39.2	178.8	-62.5	-32.2	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.67Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.42Å; F57-Y195 AromaticContact CE2-CE2 3.74Å; F57-Y195 HydrophobicContact CE2-CE2 3.74Å; F57-Y195 AromaticContact CE2-CZ 3.9Å; F57-Y195 HydrophobicContact CZ-CD2 4.33Å; F57-Y195 AromaticContact CZ-CE2 3.77Å; F57-Y195 HydrophobicContact CZ-CE2 3.77Å; W75-Y195 HydrophobicContact CE3-CD1 4.25Å; W75-Y195 HydrophobicContact CH2-CG 4.14Å; W75-Y195 AromaticContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD2 4.32Å; W75-Y195 HydrophobicContact CZ3-CE1 4.29Å; W75-Y195 AromaticContact CZ3-CG 3.6Å; W75-Y195 HydrophobicContact CZ3-CG 3.6Å; V76-Y195 HydrophobicContact CG2-CE1 4.35Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.31Å; Y83-Y195 PolarHBondContact OH-OH 2.85Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.43Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.29Å; W191-Y195 WeakPolarHBondContact O-CD2 3.45Å; W191-Y195 VanDerWaalsContact O-CG 3.27Å; W191-Y195 PolarHBondContact O-N 3.04Å; L192-Y195 PolarHBondContact O-N 3.05Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.11Å; Y195-N198 PolarHBondContact O-N 2.04Å; Y195-G199 WeakPolarHBondContact O-CA 3.42Å; Y195-G199 PolarHBondContact O-N 3.31Å; Y195-L203 WeakPolarHBondContact O-CD1 3.3Å
196	L	95.9	Very high	95.1	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-62.8	-35.6	174.4	-71.1	169.7	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 2.94Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.35Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.45Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.23Å; L192-L196 PolarHBondContact O-N 3.41Å; R193-L196 PolarHBondContact O-N 3.37Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.14Å; L196-K200 PolarHBondContact O-N 3.02Å; L196-K200 VanDerWaalsContact O-N 3.13Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 2.95Å
197	E	95.6	Very high	94.9	Very high	127 Å²	127	61.4 Å²	61.4	59%	0.593	29%	0.286	S	S	*	.	H	α-helix	trans	-71.7	-48.3	174.2	-171.3	60.3	-150.9	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.13Å; R194-E197 PolarHBondContact O-N 3.46Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.11Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.25Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 2.92Å
198	N	96.4	Very high	94.9	Very high	51 Å²	51	63.6 Å²	63.6	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-40.1	179.4	-71.6	-4.4	0	0	0	112.7	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.45Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 2.86Å; Q78-N198 PolarHBondContact NE2-OD1 3.28Å; E79-N198 PolarHBondContact OE1-ND2 3.22Å; R194-N198 WeakPolarHBondContact O-CB 3.34Å; R194-N198 PolarHBondContact O-N 2.79Å; R194-N198 PolarHBondContact O-OD1 3.29Å; Y195-N198 PolarHBondContact O-N 2.04Å
199	G	95.4	Very high	94.8	Very high	3 Å²	3	64 Å²	64	3%	0.031	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	19.3	-175.6	0	0	0	0	0	113.6	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.42Å; Y195-G199 PolarHBondContact O-N 3.31Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.25Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.38Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 CarbonylContact O-C 3.53Å; G199-T202 PolarHBondContact O-N 3.14Å; G199-T202 PolarHBondContact O-OG1 2.89Å; G199-L203 WeakPolarHBondContact O-CB 3.35Å; G199-L203 PolarHBondContact O-N 3.38Å
200	K	93.4	Very high	94.8	Very high	108 Å²	108	71 Å²	71	47%	0.47	33%	0.325	S	S	.	.	H	α-helix	trans	-48.6	-45.7	-171.5	-176.5	173.9	-174.7	173.5	0	113.9	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.42Å; L196-K200 WeakPolarHBondContact O-CB 3.14Å; L196-K200 PolarHBondContact O-N 3.02Å; L196-K200 VanDerWaalsContact O-N 3.13Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 2.92Å; K200-T202 PolarHBondContact O-N 2.98Å; K200-Q204 WeakPolarHBondContact O-CB 3.48Å; K200-Q204 PolarHBondContact O-N 3.08Å; K200-Q204 VanDerWaalsContact O-N 3.13Å
201	E	90.8	Very high	94.8	Very high	182 Å²	182	66.7 Å²	66.7	85%	0.85	31%	0.307	S	S	*	.	H	α-helix	trans	-64.2	-25.9	-179.6	-62.7	-175.6	167.5	0	0	113.5	G199	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.38Å; G199-E201 VanDerWaalsContact O-N 3.16Å
202	T	90.3	Very high	94.8	Very high	46 Å²	46	68.4 Å²	68.4	28%	0.282	32%	0.317	S	S	.	.	H	α-helix	trans	-103.8	-34.4	-177.2	51.9	0	0	0	0	114.1	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.22Å; G199-T202 CarbonylContact O-C 3.53Å; G199-T202 PolarHBondContact O-N 3.14Å; G199-T202 PolarHBondContact O-OG1 2.89Å; K200-T202 PolarHBondContact O-N 2.98Å; T202-R205 WeakPolarHBondContact O-CG 3.46Å; T202-R205 PolarHBondContact O-NE 3.44Å
203	L	91.6	Very high	94.8	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-93.6	-30.1	-172.7	-64.4	172.8	0	0	0	112.3	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.29Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.4Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.13Å; W75-L203 HydrophobicContact CZ2-CG 4.41Å; Y195-L203 WeakPolarHBondContact O-CD1 3.3Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 WeakPolarHBondContact O-CB 3.35Å; G199-L203 PolarHBondContact O-N 3.38Å
204	Q	89.4	Confident	94.8	Very high	91 Å²	91	65.3 Å²	65.3	43%	0.425	31%	0.311	S	S	.	.	S	Bend	trans	-102.7	22	178.8	-57	178.6	30.2	0	0	111.9	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.95Å; K200-Q204 WeakPolarHBondContact O-CB 3.48Å; K200-Q204 PolarHBondContact O-N 3.08Å; K200-Q204 VanDerWaalsContact O-N 3.13Å
205	R	90.1	Very high	94.7	Very high	90 Å²	90	62 Å²	62	34%	0.34	30%	0.301	S	S	.	.			trans	-95.1	148	170.9	76.3	-172.5	174.2	172.9	11.4	109.1	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.46Å; T202-R205 PolarHBondContact O-NE 3.44Å; R205-E207 IonicContact CZ-OE1 3.25Å; R205-E207 IonicContact NE-OE1 2.86Å; R205-E207 PolarHBondContact NE-OE1 2.85Å; R205-E207 IonicContact NH1-OE1 3.34Å; R205-E207 PolarHBondContact NH1-OE1 3.41Å; R205-E207 IonicContact NH2-OE1 2.72Å; R205-E207 PolarHBondContact NH2-OE1 2.84Å; R205-Y233 HydrophobicContact CG-CD1 4.24Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å
206	A	92.3	Very high	94.5	Very high	39 Å²	39	65.9 Å²	65.9	32%	0.322	32%	0.319	S	S	.	.			trans	-119.6	121.7	165	0	0	0	0	0	108.5	Y233 E288	A206-Y233 CarbonylContact C-O 3.59Å; A206-Y233 VanDerWaalsContact CA-O 3.31Å; A206-Y233 WeakPolarHBondContact CA-O 3.45Å; A206-E288 HydrophobicContact CB-CG 4.5Å
207	E	94.3	Very high	94.4	Very high	64 Å²	64	70 Å²	70	30%	0.299	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-98.8	120	175.2	-67.4	-172.5	-150.3	0	0	108.7	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 3.25Å; R205-E207 IonicContact NE-OE1 2.86Å; R205-E207 PolarHBondContact NE-OE1 2.85Å; R205-E207 IonicContact NH1-OE1 3.34Å; R205-E207 PolarHBondContact NH1-OE1 3.41Å; R205-E207 IonicContact NH2-OE1 2.72Å; R205-E207 PolarHBondContact NH2-OE1 2.84Å; E207-F232 WeakPolarHBondContact O-CA 3.24Å; E207-F232 WeakPolarHBondContact O-CB 3.35Å; E207-Y233 PolarHBondContact N-O 2.81Å; E207-Y233 PolarHBondContact O-N 2.85Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.48Å; E207-H287 PolarHBondContact O-CE1 2.74Å
208	H	95.4	Very high	94.2	Very high	97 Å²	97	68.1 Å²	68.1	45%	0.449	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-69	144.8	-177.9	-55.5	-103.4	0	0	0	112	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.95Å; H208-G289 PolarHBondContact CE1-O 3.43Å; H208-G289 PolarHBondContact ND1-O 2.93Å; H208-L290 HydrophobicContact CB-CD2 4.15Å; H208-L290 WeakPolarHBondContact ND1-CA 3.22Å; H208-L290 PolarHBondContact ND1-N 3.25Å
209	P	97.6	Very high	94.1	Very high	8 Å²	8	68.2 Å²	68.2	5%	0.052	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-67.9	131.8	176.3	28.4	-34.6	0	0	0	111.8	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.96Å; P209-T211 HydrophobicContact CG-CG2 4.16Å; P209-T211 PolarHBondContact O-N 3.01Å; P209-A229 HydrophobicContact CB-CB 3.89Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.16Å; P209-V285 HydrophobicContact CG-CG1 3.98Å; P209-H287 HydrophobicContact CG-CB 4.04Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	97.9	Very high	93.8	Very high	157 Å²	157	75.1 Å²	75.1	68%	0.683	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.8	164.1	-63.8	173.8	-171.8	166.7	0	108.1	H208 L230	H208-K210 PolarHBondContact O-N 2.95Å; K210-L230 PolarHBondContact N-O 3.49Å; K210-L230 PolarHBondContact O-N 3.04Å
211	T	97.8	Very high	93.7	Very high	34 Å²	34	77 Å²	77	21%	0.209	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	141.4	-172.2	53.1	0	0	0	0	112.9	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.96Å; P209-T211 HydrophobicContact CG-CG2 4.16Å; P209-T211 PolarHBondContact O-N 3.01Å; T211-W228 WeakPolarHBondContact CA-O 3.37Å; T211-A229 HydrophobicContact CG2-CB 4.3Å; T211-V285 HydrophobicContact CG2-CB 4.41Å; T211-V285 HydrophobicContact CG2-CG1 4.13Å; T211-V285 HydrophobicContact CG2-CG2 4.03Å; T211-L294 HydrophobicContact CG2-CD1 4.32Å; T211-L296 HydrophobicContact CG2-CD1 4.29Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.49Å
212	H	97	Very high	93.9	Very high	80 Å²	80	72.4 Å²	72.4	37%	0.37	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	158.7	170.9	63.3	-75.2	0	0	0	110.8	W228	H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.42Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.16Å; H212-W228 AromaticContact NE2-CD1 3.5Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.12Å
213	V	97.9	Very high	94.1	Very high	22 Å²	22	70.2 Å²	70.2	13%	0.133	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.2	176.2	-178.6	0	0	0	0	109.5	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.32Å; V213-R226 WeakPolarHBondContact CA-O 3.42Å; V213-C227 HydrophobicContact CG2-CB 4.44Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; V213-L296 HydrophobicContact CG2-CB 3.81Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.81Å
214	T	96.5	Very high	94.4	Very high	34 Å²	34	71.2 Å²	71.2	21%	0.209	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.3	175.1	51.5	0	0	0	0	110.4	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.44Å; T214-H216 VanDerWaalsContact OG1-CE1 3.28Å; T214-L225 WeakPolarHBondContact O-CA 3.49Å; T214-R226 PolarHBondContact N-O 2.88Å; T214-R226 PolarHBondContact O-N 3.12Å; T214-R226 WeakPolarHBondContact OG1-CB 3.24Å; T214-R226 PolarHBondContact OG1-O 3.01Å; T214-R226 VanDerWaalsContact OG1-O 3.12Å; T214-W228 PolarHBondContact OG1-NE1 3.34Å
215	H	95.6	Very high	94.7	Very high	52 Å²	52	66.9 Å²	66.9	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.5	-178.9	170.1	-91.6	0	0	0	109.8	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.3Å; H215-L225 HydrophobicContact CB-CD2 3.94Å; H215-E278 IonicContact NE2-OE1 2.67Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 3.99Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.77Å; H215-W298 AromaticContact ND1-CZ2 3.95Å
216	H	94.1	Very high	95.1	Very high	81 Å²	81	65.1 Å²	65.1	38%	0.375	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	104.6	-179	-58	82.6	0	0	0	108.9	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.44Å; T214-H216 VanDerWaalsContact OG1-CE1 3.28Å; H216-V218 PolarHBondContact O-N 2.92Å; H216-A223 CarbonylContact O-C 3.52Å; H216-A223 WeakPolarHBondContact O-CA 3.25Å; H216-T224 PolarHBondContact N-O 2.68Å; H216-T224 PolarHBondContact O-N 2.98Å; H216-R226 PolarHBondContact CE1-NH1 2.85Å
217	P	93.4	Very high	95.4	Very high	100 Å²	100	63.2 Å²	63.2	65%	0.649	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	130.9	173.1	-19	29.4	0	0	0	110.5
218	V	92	Very high	95.6	Very high	88 Å²	88	62.5 Å²	62.5	53%	0.533	32%	0.318	S	S	.	.			trans	-103.5	-41.7	175.7	-179.3	0	0	0	0	109.9	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.92Å; V218-E222 PolarHBondContact N-O 2.82Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.44Å
219	S	92.3	Very high	95.7	Very high	53 Å²	53	57.9 Å²	57.9	37%	0.371	30%	0.297	S	S	.	.	S	Bend	trans	-146.2	-177.9	174.7	74	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.32Å; S219-H221 PolarHBondContact OG-N 2.9Å; S219-E222 PolarHBondContact N-O 2.84Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.44Å
220	D	89.2	Confident	95.8	Very high	148 Å²	148	60 Å²	60	79%	0.791	31%	0.307	S	S	*	.	S	Bend	trans	-64.2	-19.9	173	-66.6	-23.3	0	0	0	112.5	S275	D220-S275 PolarHBondContact O-OG 3.08Å
221	H	92.2	Very high	95.7	Very high	147 Å²	147	53.4 Å²	53.4	68%	0.681	28%	0.284	S	S	*	.	S	Bend	trans	-108.3	-14	-174.4	-56.7	-49.2	0	0	0	113.9	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.32Å; S219-H221 PolarHBondContact OG-N 2.9Å; H221-P274 WeakPolarHBondContact O-CA 3.48Å; H221-S275 PolarHBondContact O-N 2.86Å; H221-S275 PolarHBondContact O-OG 2.89Å
222	E	94.6	Very high	95.7	Very high	86 Å²	86	51.8 Å²	51.8	40%	0.402	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	143.3	-171.8	-66.6	176.1	164.4	0	0	112.1	V218 S219 M272 V273 S275	V218-E222 PolarHBondContact N-O 2.82Å; S219-E222 PolarHBondContact N-O 2.84Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 3.44Å; E222-M272 HydrophobicContact CB-CG 4.43Å; E222-V273 WeakPolarHBondContact CA-O 3.31Å; E222-S275 PolarHBondContact N-OG 3.11Å
223	A	95.2	Very high	95.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.8	171.5	0	0	0	0	0	110.9	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.3Å; H216-A223 CarbonylContact O-C 3.52Å; H216-A223 WeakPolarHBondContact O-CA 3.25Å; A223-V273 HydrophobicContact CB-CG2 4.36Å; A223-V273 PolarHBondContact N-O 3.31Å; A223-V273 WeakPolarHBondContact O-CG2 3.4Å; A223-V273 PolarHBondContact O-N 3.11Å
224	T	96.8	Very high	95.5	Very high	24 Å²	24	48 Å²	48	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.9	169.9	-56.5	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 2.68Å; H216-T224 PolarHBondContact O-N 2.98Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.44Å; T224-A270 HydrophobicContact CG2-CB 3.92Å; T224-V271 WeakPolarHBondContact CA-O 3.46Å
225	L	97.4	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.4	165.2	-66.4	-175.9	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.32Å; T214-L225 WeakPolarHBondContact O-CA 3.49Å; H215-L225 HydrophobicContact CB-CD2 3.94Å; L225-W241 HydrophobicContact CB-CH2 3.74Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CD1-CH2 4.09Å; L225-W241 HydrophobicContact CD1-CZ3 4.27Å; L225-A270 CarbonylContact O-C 3.43Å; L225-A270 WeakPolarHBondContact O-CA 3.37Å; L225-V271 HydrophobicContact CB-CG1 4.23Å; L225-V271 PolarHBondContact N-O 3.21Å; L225-V271 PolarHBondContact O-N 3.12Å; L225-V273 HydrophobicContact CD1-CG1 4.09Å; L225-V273 HydrophobicContact CD1-CG2 4.14Å; L225-V273 HydrophobicContact CG-CG1 4.22Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.05Å; L225-E278 HydrophobicContact CD2-CG 4.46Å; L225-W298 HydrophobicContact CD1-CB 4.36Å; L225-W298 HydrophobicContact CD2-CB 3.78Å; L225-W298 HydrophobicContact CD2-CD2 4.34Å; L225-W298 HydrophobicContact CD2-CG 3.9Å
226	R	97.9	Very high	95.5	Very high	52 Å²	52	51.5 Å²	51.5	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.2	176.2	-177.5	-177.8	-63.1	118.2	2.6	110.2	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.42Å; T214-R226 PolarHBondContact N-O 2.88Å; T214-R226 PolarHBondContact O-N 3.12Å; T214-R226 WeakPolarHBondContact OG1-CB 3.24Å; T214-R226 PolarHBondContact OG1-O 3.01Å; T214-R226 VanDerWaalsContact OG1-O 3.12Å; H216-R226 PolarHBondContact CE1-NH1 2.85Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.35Å; R226-A270 HydrophobicContact CB-CB 4.04Å; R226-A270 HydrophobicContact CG-CB 4.12Å
227	C	98.2	Very high	95.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.7	174.8	-173.2	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.44Å; C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.57Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 WeakPolarHBondContact O-CB 3.24Å; C227-A269 PolarHBondContact N-O 2.88Å; C227-A269 PolarHBondContact O-N 2.82Å; C227-C283 HydrophobicContact CB-CB 3.54Å; C227-C283 WeakPolarHBondContact CB-SG 3.26Å; C227-C283 WeakPolarHBondContact SG-CB 3.22Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.72Å
228	W	98.4	Very high	95.7	Very high	48 Å²	48	46.2 Å²	46.2	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.6	179.7	-69.5	90.1	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.37Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.42Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.16Å; H212-W228 AromaticContact NE2-CD1 3.5Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.12Å; T214-W228 PolarHBondContact OG1-NE1 3.34Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; W228-L230 HydrophobicContact CE3-CD2 3.92Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.84Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.4	Very high	96	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.9	162.6	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.89Å; T211-A229 HydrophobicContact CG2-CB 4.3Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.2Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; A229-L239 HydrophobicContact CB-CD1 4.07Å; A229-L239 HydrophobicContact CB-CD2 4.24Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.46Å; A229-K267 PolarHBondContact N-O 2.97Å; A229-K267 PolarHBondContact O-N 2.87Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.2	Very high	96.2	Very high	53 Å²	53	41.6 Å²	41.6	28%	0.277	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.8	-174.6	-58.6	176.9	0	0	0	111	K210 W228 Q266	K210-L230 PolarHBondContact N-O 3.49Å; K210-L230 PolarHBondContact O-N 3.04Å; W228-L230 HydrophobicContact CE3-CD2 3.92Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.3	Very high	96.6	Very high	19 Å²	19	34.7 Å²	34.7	20%	0.196	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.3	35	168.4	0	0	0	0	0	113.8	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.39Å; G231-F265 PolarHBondContact N-O 2.83Å
232	F	97.1	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	155.7	179.2	59.2	-90.2	0	0	0	112.4	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.24Å; E207-F232 WeakPolarHBondContact O-CB 3.35Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.82Å; A229-F232 WeakPolarHBondContact O-CE1 3.2Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; F232-I237 HydrophobicContact CD1-CD1 3.91Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 CarbonylContact O-C 3.52Å; F232-T264 WeakPolarHBondContact O-CA 3Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.43Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.85Å; F232-F265 PolarHBondContact O-N 3.02Å; F232-K267 HydrophobicContact CE1-CB 4.39Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.71Å; F232-H287 AromaticContact CD2-NE2 3.64Å
233	Y	95.7	Very high	96.8	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.016	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-151.2	136.1	173.3	178.5	-84.1	0	0	0	108.8	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.03Å; T55-Y233 PolarHBondContact OG1-OH 3.19Å; T55-Y233 VanDerWaalsContact OG1-OH 3.05Å; R205-Y233 HydrophobicContact CG-CD1 4.24Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å; A206-Y233 CarbonylContact C-O 3.59Å; A206-Y233 VanDerWaalsContact CA-O 3.31Å; A206-Y233 WeakPolarHBondContact CA-O 3.45Å; E207-Y233 PolarHBondContact N-O 2.81Å; E207-Y233 PolarHBondContact O-N 2.85Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; Y233-G263 WeakPolarHBondContact CD2-O 3.46Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CE2-CE2 4.43Å; Y233-H287 PolarHBondContact O-CE1 3.09Å
234	P	95	Very high	96.7	Very high	17 Å²	17	34 Å²	34	11%	0.11	17%	0.174	C	C	.	.	S	Bend	cis	-72.3	179.7	2.6	30.7	-36.5	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.3Å; D54-P234 WeakPolarHBondContact OD2-CB 3.5Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.83Å; P234-H287 PolarHBondContact O-NE2 3.24Å; P234-E288 HydrophobicContact CG-CB 4.27Å; P234-E288 WeakPolarHBondContact CG-OE2 3.43Å
235	A	96.3	Very high	96.3	Very high	14 Å²	14	35.2 Å²	35.2	12%	0.116	19%	0.19	C	C	.	.	S	Bend	trans	-71	-24.8	-175.2	0	0	0	0	0	113.9	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 WeakPolarHBondContact OD2-CB 3.04Å; D54-A235 PolarHBondContact OD2-N 3.2Å; A235-I237 PolarHBondContact O-N 3.44Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.7Å
236	E	95.4	Very high	96	Very high	147 Å²	147	41.4 Å²	41.4	69%	0.687	22%	0.22	S	C	*	.			trans	-65.4	117.2	179.9	-170.6	58.9	-143.1	0	0	110.2	P234 H287	P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.83Å; E236-H287 PolarHBondContact O-CD2 3.49Å
237	I	96.2	Very high	95.8	Very high	11 Å²	11	43.4 Å²	43.4	6%	0.056	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	141.7	-178.1	-166.4	167.9	0	0	0	109.6	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.05Å; P209-I237 HydrophobicContact CG-CD1 4.16Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; F232-I237 HydrophobicContact CD1-CD1 3.91Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 4Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 3.44Å; I237-L239 HydrophobicContact CD1-CD1 3.69Å; I237-L239 HydrophobicContact CG1-CD1 3.62Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; I237-H287 HydrophobicContact CD1-CB 4.1Å; I237-H287 HydrophobicContact CG1-CB 3.95Å
238	T	96.8	Very high	95.5	Very high	59 Å²	59	44.8 Å²	44.8	36%	0.362	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.3	174.5	-57.8	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.07Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; T238-Q286 PolarHBondContact N-O 3.49Å; T238-Q286 PolarHBondContact O-N 3.06Å
239	L	97.5	Very high	94.8	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.6	172.9	-87.2	62.3	0	0	0	108.4	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.07Å; A229-L239 HydrophobicContact CB-CD2 4.24Å; I237-L239 HydrophobicContact CD1-CD1 3.69Å; I237-L239 HydrophobicContact CG1-CD1 3.62Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; L239-L254 HydrophobicContact CB-CD1 4.15Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.43Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; L239-H284 WeakPolarHBondContact CA-O 3.43Å; L239-V285 HydrophobicContact CD1-CG1 4.1Å; L239-V285 HydrophobicContact CG-CG2 4.3Å
240	T	96.9	Very high	94.1	Very high	38 Å²	38	56.6 Å²	56.6	23%	0.233	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.6	175.7	56.9	0	0	0	0	111.4	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.07Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.29Å; T240-H284 PolarHBondContact N-O 2.78Å; T240-H284 PolarHBondContact O-N 3.16Å
241	W	97.6	Very high	93.4	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.4	167.8	-82.2	107.1	0	0	0	109.8	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; L225-W241 HydrophobicContact CB-CH2 3.74Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CD1-CH2 4.09Å; L225-W241 HydrophobicContact CD1-CZ3 4.27Å; C227-W241 HydrophobicContact CB-CH2 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 2.87Å; W241-A269 PolarHBondContact NE1-O 3.5Å; W241-V271 HydrophobicContact CB-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.12Å; W241-V271 HydrophobicContact CG-CG1 3.73Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; W241-T282 WeakPolarHBondContact CA-O 3.41Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.04Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.08Å; W241-C283 HydrophobicContact CZ3-CB 3.93Å
242	Q	96.8	Very high	93.2	Very high	39 Å²	39	59.7 Å²	59.7	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.3	173.2	-69.8	-174	-7	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.41Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.23Å; Q242-D247 PolarHBondContact NE2-OD1 2.81Å; Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; Q242-T282 PolarHBondContact N-O 3.29Å; Q242-T282 PolarHBondContact O-N 3.44Å; Q242-H284 PolarHBondContact OE1-NE2 2.83Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.07Å
243	W	94.4	Very high	93.1	Very high	78 Å²	78	65.1 Å²	65.1	30%	0.295	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.7	170.5	177.2	69.9	0	0	0	108.4	G245 E246 Q248 R280 Y281	W243-G245 PolarHBondContact O-N 3.38Å; W243-E246 PolarHBondContact N-O 2.98Å; W243-E246 PolarHBondContact O-N 3.42Å; W243-Q248 HydrophobicContact CB-CG 3.96Å; W243-R280 VanDerWaalsContact CE2-NH2 3.27Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.28Å; W243-R280 VanDerWaalsContact NE1-CZ 3.25Å; W243-Y281 HydrophobicContact CB-CD1 4.29Å; W243-Y281 HydrophobicContact CB-CE1 4.06Å; W243-Y281 AromaticContact CD1-CE2 3.66Å; W243-Y281 AromaticContact CD1-CZ 3.67Å; W243-Y281 HydrophobicContact CG-CE1 4.33Å
244	D	91.7	Very high	93.1	Very high	104 Å²	104	69.2 Å²	69.2	56%	0.556	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	30.6	-173	-68.6	-20.4	0	0	0	114.5	R280	D244-R280 PolarHBondContact N-O 3.26Å; D244-R280 IonicContact OD1-NE 3.69Å; D244-R280 IonicContact OD2-CZ 2.78Å; D244-R280 IonicContact OD2-NE 2.74Å; D244-R280 PolarHBondContact OD2-NE 3.19Å; D244-R280 IonicContact OD2-NH2 3.49Å; D244-R280 PolarHBondContact OD2-NH2 3.3Å
245	G	88.4	Confident	93.2	Very high	48 Å²	48	70 Å²	70	50%	0.495	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	-1.1	-179.8	0	0	0	0	0	115.5	W243	W243-G245 PolarHBondContact O-N 3.38Å
246	E	92.3	Very high	93.2	Very high	131 Å²	131	77.5 Å²	77.5	61%	0.612	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	127.2	176.2	-63.5	-169.9	167.5	0	0	111.9	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.41Å; W243-E246 PolarHBondContact N-O 2.98Å; W243-E246 PolarHBondContact O-N 3.42Å; E246-Q248 PolarHBondContact O-NE2 3.11Å
247	D	92.4	Very high	93.3	Very high	93 Å²	93	72.7 Å²	72.7	50%	0.497	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	132.3	-179	-70.8	-22.9	0	0	0	112.7	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.23Å; Q242-D247 PolarHBondContact NE2-OD1 2.81Å
248	Q	91.9	Very high	93.4	Very high	29 Å²	29	77 Å²	77	14%	0.136	40%	0.398	C	S	.	.			trans	-103.7	42	-176.9	-58.9	-59	-60.2	0	0	112.5	W241 W243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 2.87Å; W243-Q248 HydrophobicContact CB-CG 3.96Å; E246-Q248 PolarHBondContact O-NE2 3.11Å; Q248-Q250 VanDerWaalsContact C-N 3.34Å; Q248-Q250 PolarHBondContact O-N 3.17Å; Q248-D251 PolarHBondContact O-N 2.91Å; Q248-T252 WeakPolarHBondContact O-CB 3.4Å; Q248-T252 PolarHBondContact O-N 2.79Å; Q248-T252 VanDerWaalsContact O-N 3.17Å; Q248-T252 PolarHBondContact O-OG1 3.36Å; Q248-Y281 HydrophobicContact CG-CE1 4.44Å
249	T	83.8	Confident	93.4	Very high	106 Å²	106	78.7 Å²	78.7	65%	0.65	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.1	-169.2	-44.9	0	0	0	0	114.2
250	Q	84.3	Confident	93.3	Very high	191 Å²	191	80.7 Å²	80.7	89%	0.893	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-32.6	-177.8	-67.6	-174.5	8.9	0	0	113	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.34Å; Q248-Q250 PolarHBondContact O-N 3.17Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	83.9	Confident	93.2	Very high	113 Å²	113	82.6 Å²	82.6	60%	0.604	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	2	-177.3	-57.2	-51.5	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 2.91Å
252	T	92.5	Very high	92.9	Very high	23 Å²	23	87.9 Å²	87.9	14%	0.141	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.5	179.2	-64.4	0	0	0	0	111	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.4Å; Q248-T252 PolarHBondContact O-N 2.79Å; Q248-T252 VanDerWaalsContact O-N 3.17Å; Q248-T252 PolarHBondContact O-OG1 3.36Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.79Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.33Å
253	E	95.6	Very high	92.7	Very high	115 Å²	115	88 Å²	88	54%	0.537	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	106.2	163.2	-173.8	-174.2	-172.8	0	0	109	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.17Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.45Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 3Å; E253-A270 PolarHBondContact O-N 3.35Å
254	L	96.1	Very high	92.8	Very high	90 Å²	90	84.7 Å²	84.7	47%	0.471	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.7	177.8	-173.6	68.8	0	0	0	110.1	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.15Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.79Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
255	V	96.2	Very high	93.1	Very high	32 Å²	32	81 Å²	81	19%	0.194	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-84	153.1	174.9	-64.5	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.37Å; V255-K267 WeakPolarHBondContact O-CG 3.5Å; V255-K267 PolarHBondContact O-NZ 2.84Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3.08Å
256	E	96.4	Very high	93.6	Very high	173 Å²	173	80.8 Å²	80.8	81%	0.808	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-57.4	147.7	167.6	-67.9	-176.8	173.5	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.45Å
257	T	97.8	Very high	93.9	Very high	46 Å²	46	75.6 Å²	75.6	28%	0.282	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-68	129.4	174.2	-55.8	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.14Å; T257-K267 WeakPolarHBondContact OG1-CD 3.45Å; T257-K267 PolarHBondContact OG1-NZ 2.83Å
258	R	97.1	Very high	94.1	Very high	100 Å²	100	72.4 Å²	72.4	38%	0.377	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.2	-175	68.5	-169.3	-178.5	-171.9	2.8	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.45Å; R258-F265 WeakPolarHBondContact O-CA 3.45Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.65Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 2.9Å
259	P	97.3	Very high	94.4	Very high	95 Å²	95	71 Å²	71	62%	0.617	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	144.2	177.9	28.4	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.31Å
260	A	96.6	Very high	95.1	Very high	49 Å²	49	66.1 Å²	66.1	41%	0.405	37%	0.369	S	S	.	.			trans	-87.2	-19.3	173.1	0	0	0	0	0	112.9	T264	A260-T264 WeakPolarHBondContact CB-O 3.32Å; A260-T264 PolarHBondContact N-O 2.92Å
261	G	93.4	Very high	95.7	Very high	77 Å²	77	57.1 Å²	57.1	79%	0.794	33%	0.327	S	S	*	.	S	Bend	trans	97.9	-6.4	178.6	0	0	0	0	0	115
262	D	92.8	Very high	96.3	Very high	114 Å²	114	56.7 Å²	56.7	61%	0.61	32%	0.323	S	S	*	.	S	Bend	trans	-105.6	11.4	176.4	60.1	1.5	0	0	0	113	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.15Å; D262-T264 PolarHBondContact OD1-N 2.75Å; D262-T264 PolarHBondContact OD1-OG1 3.37Å
263	G	91.6	Very high	96.4	Very high	42 Å²	42	55.6 Å²	55.6	43%	0.433	32%	0.316	S	S	.	.	S	Bend	trans	91	-1.9	-173.8	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.46Å
264	T	96.4	Very high	96.4	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.049	31%	0.307	C	S	.	.			trans	-105.2	173.7	174.7	73.8	0	0	0	0	112.4	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.48Å; G231-T264 WeakPolarHBondContact CA-OG1 3.39Å; F232-T264 CarbonylContact O-C 3.52Å; F232-T264 WeakPolarHBondContact O-CA 3Å; A260-T264 WeakPolarHBondContact CB-O 3.32Å; A260-T264 PolarHBondContact N-O 2.92Å; D262-T264 WeakPolarHBondContact OD1-CB 3.15Å; D262-T264 PolarHBondContact OD1-N 2.75Å; D262-T264 PolarHBondContact OD1-OG1 3.37Å
265	F	98.1	Very high	96.1	Very high	26 Å²	26	51 Å²	51	11%	0.114	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	163.2	-177.3	-64.1	-85.7	0	0	0	112.5	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.69Å; G231-F265 PolarHBondContact N-O 2.83Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.43Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.85Å; F232-F265 PolarHBondContact O-N 3.02Å; Y233-F265 HydrophobicContact CD2-CD2 4.44Å; Y233-F265 AromaticContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CE2-CE2 4.43Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.69Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.7Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.14Å; R258-F265 WeakPolarHBondContact O-CA 3.45Å; P259-F265 HydrophobicContact CB-CE1 4.31Å
266	Q	98.2	Very high	95.8	Very high	44 Å²	44	52.6 Å²	52.6	21%	0.206	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	145.6	174.8	43.7	168.1	-22.2	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.46Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.65Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 2.9Å
267	K	98.5	Very high	95.7	Very high	22 Å²	22	47.4 Å²	47.4	10%	0.096	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	155.2	177.4	-162.7	-176.1	-172.2	70.2	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.97Å; A229-K267 PolarHBondContact O-N 2.87Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.39Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.43Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.37Å; V255-K267 WeakPolarHBondContact O-CG 3.5Å; V255-K267 PolarHBondContact O-NZ 2.84Å; T257-K267 WeakPolarHBondContact OG1-CD 3.45Å; T257-K267 PolarHBondContact OG1-NZ 2.83Å
268	W	98.2	Very high	95.5	Very high	25 Å²	25	46.2 Å²	46.2	10%	0.095	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157	169.2	58.9	-98.8	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.57Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 WeakPolarHBondContact O-CB 3.24Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.84Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.17Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3.08Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
269	A	98.1	Very high	95.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.3	173.7	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.35Å; C227-A269 PolarHBondContact N-O 2.88Å; C227-A269 PolarHBondContact O-N 2.82Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; W241-A269 PolarHBondContact NE1-O 3.5Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.45Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
270	A	97.5	Very high	95.2	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.6	179.3	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.92Å; L225-A270 CarbonylContact O-C 3.43Å; L225-A270 WeakPolarHBondContact O-CA 3.37Å; R226-A270 HydrophobicContact CB-CB 4.04Å; R226-A270 HydrophobicContact CG-CB 4.12Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.32Å; T252-A270 WeakPolarHBondContact CA-O 3.33Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 3Å; E253-A270 PolarHBondContact O-N 3.35Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
271	V	97	Very high	95.2	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141.9	176.7	63	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.46Å; L225-V271 HydrophobicContact CB-CG1 4.23Å; L225-V271 PolarHBondContact N-O 3.21Å; L225-V271 PolarHBondContact O-N 3.12Å; W241-V271 HydrophobicContact CB-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.12Å; W241-V271 HydrophobicContact CG-CG1 3.73Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.42Å; V271-Y281 HydrophobicContact CG1-CD1 4.06Å; V271-Y281 HydrophobicContact CG1-CE1 4.46Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.07Å
272	M	96	Very high	95.4	Very high	103 Å²	103	40.7 Å²	40.7	51%	0.507	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129.4	172.1	-170	174.3	-65.7	0	0	108.8	E222	E222-M272 HydrophobicContact CB-CG 4.43Å
273	V	95.2	Very high	95.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.1	-173.8	-53.5	0	0	0	0	110.7	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.31Å; A223-V273 HydrophobicContact CB-CG2 4.36Å; A223-V273 PolarHBondContact N-O 3.31Å; A223-V273 WeakPolarHBondContact O-CG2 3.4Å; A223-V273 PolarHBondContact O-N 3.11Å; L225-V273 HydrophobicContact CD1-CG1 4.09Å; L225-V273 HydrophobicContact CD1-CG2 4.14Å; L225-V273 HydrophobicContact CG-CG1 4.22Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.42Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.81Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.73Å; V273-Y281 HydrophobicContact CG1-CE2 3.49Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y281 HydrophobicContact CG1-CG 3.72Å
274	P	95	Very high	95.9	Very high	52 Å²	52	34.9 Å²	34.9	34%	0.338	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139.1	169.9	-19.4	31.9	0	0	0	111.3	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.48Å; P274-G276 PolarHBondContact O-N 2.84Å; P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.19Å; P274-E277 PolarHBondContact O-N 2.81Å
275	S	90.9	Very high	96	Very high	55 Å²	55	34.5 Å²	34.5	39%	0.385	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	125.9	174	-64.6	0	0	0	0	110.7	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 3.08Å; H221-S275 PolarHBondContact O-N 2.86Å; H221-S275 PolarHBondContact O-OG 2.89Å; E222-S275 PolarHBondContact N-OG 3.11Å; S275-E278 WeakPolarHBondContact CA-OE1 3.21Å
276	G	89.8	Confident	95.9	Very high	67 Å²	67	37.2 Å²	37.2	69%	0.691	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	-8.6	-178.4	0	0	0	0	0	115.1	P274 E278	P274-G276 PolarHBondContact O-N 2.84Å; G276-E278 WeakPolarHBondContact CA-OE2 3.41Å; G276-E278 VanDerWaalsContact N-CD 3.25Å; G276-E278 PolarHBondContact N-OE1 2.92Å; G276-E278 PolarHBondContact N-OE2 3.22Å
277	E	93.6	Very high	95.8	Very high	63 Å²	63	35.3 Å²	35.3	29%	0.294	19%	0.19	S	C	.	.			trans	-99.6	2.9	175.5	-65.5	-158.3	-153.3	0	0	113.5	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.19Å; P274-E277 PolarHBondContact O-N 2.81Å; E277-Q279 PolarHBondContact O-N 3.28Å; E277-R280 WeakPolarHBondContact O-CB 3.35Å; E277-R280 PolarHBondContact O-N 3.39Å; E277-R280 IonicContact OE2-CZ 3.2Å; E277-R280 IonicContact OE2-NH1 2.65Å; E277-R280 PolarHBondContact OE2-NH1 2.84Å; E277-Y281 HydrophobicContact CB-CE2 4.38Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å
278	E	93.8	Very high	95.4	Very high	21 Å²	21	37.8 Å²	37.8	10%	0.098	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57.7	-31.2	-171.1	-55.5	83.8	176.5	0	0	112.9	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 2.67Å; L225-E278 HydrophobicContact CD1-CB 4.05Å; L225-E278 HydrophobicContact CD2-CG 4.46Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.21Å; G276-E278 WeakPolarHBondContact CA-OE2 3.41Å; G276-E278 VanDerWaalsContact N-CD 3.25Å; G276-E278 PolarHBondContact N-OE1 2.92Å; G276-E278 PolarHBondContact N-OE2 3.22Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.87Å; E278-Y281 PolarHBondContact O-N 2.89Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.83Å; E278-W298 HydrophobicContact CG-CE3 3.8Å; E278-W298 HydrophobicContact CG-CZ3 3.81Å
279	Q	93.6	Very high	95.1	Very high	90 Å²	90	37.2 Å²	37.2	42%	0.421	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-72.9	-16.2	-179.5	-64.2	-57.9	-48	0	0	114.1	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.28Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å; Q279-W298 PolarHBondContact NE2-O 3.26Å
280	R	95.1	Very high	94.9	Very high	86 Å²	86	37.7 Å²	37.7	33%	0.325	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-80	-17.5	174.4	-61.6	176.4	69.5	-168.7	2.2	112.2	W243 D244 E277 E278	W243-R280 VanDerWaalsContact CE2-NH2 3.27Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.28Å; W243-R280 VanDerWaalsContact NE1-CZ 3.25Å; D244-R280 PolarHBondContact N-O 3.26Å; D244-R280 IonicContact OD1-NE 3.69Å; D244-R280 IonicContact OD2-CZ 2.78Å; D244-R280 IonicContact OD2-NE 2.74Å; D244-R280 PolarHBondContact OD2-NE 3.19Å; D244-R280 IonicContact OD2-NH2 3.49Å; D244-R280 PolarHBondContact OD2-NH2 3.3Å; E277-R280 WeakPolarHBondContact O-CB 3.35Å; E277-R280 PolarHBondContact O-N 3.39Å; E277-R280 IonicContact OE2-CZ 3.2Å; E277-R280 IonicContact OE2-NH1 2.65Å; E277-R280 PolarHBondContact OE2-NH1 2.84Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.87Å
281	Y	96.3	Very high	94.6	Very high	19 Å²	19	43.3 Å²	43.3	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128	179.4	-69.5	-95.4	0	0	0	111	Q242 W243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; W243-Y281 HydrophobicContact CB-CD1 4.29Å; W243-Y281 HydrophobicContact CB-CE1 4.06Å; W243-Y281 AromaticContact CD1-CE2 3.66Å; W243-Y281 AromaticContact CD1-CZ 3.67Å; W243-Y281 HydrophobicContact CG-CE1 4.33Å; Q248-Y281 HydrophobicContact CG-CE1 4.44Å; V271-Y281 HydrophobicContact CG1-CD1 4.06Å; V271-Y281 HydrophobicContact CG1-CE1 4.46Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.07Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.81Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.73Å; V273-Y281 HydrophobicContact CG1-CE2 3.49Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y281 HydrophobicContact CG1-CG 3.72Å; E277-Y281 HydrophobicContact CB-CE2 4.38Å; E277-Y281 WeakPolarHBondContact O-CD2 3.45Å; E278-Y281 PolarHBondContact O-N 2.89Å; Q279-Y281 VanDerWaalsContact C-N 3.31Å
282	T	97.4	Very high	94.4	Very high	11 Å²	11	50.2 Å²	50.2	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.4	174.6	47.7	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.41Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.29Å; Q242-T282 PolarHBondContact O-N 3.44Å; T282-H284 PolarHBondContact OG1-NE2 3.27Å; T282-H284 VanDerWaalsContact OG1-NE2 3.12Å; T282-T295 HydrophobicContact CG2-CG2 3.94Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.32Å; T282-R297 HydrophobicContact CG2-CG 3.63Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283	C	97.8	Very high	94.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.5	170.4	174.7	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.54Å; C227-C283 WeakPolarHBondContact CB-SG 3.26Å; C227-C283 WeakPolarHBondContact SG-CB 3.22Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.72Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.29Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.04Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.08Å; W241-C283 HydrophobicContact CZ3-CB 3.93Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.5Å; C283-L296 HydrophobicContact CB-CB 4.32Å; C283-L296 PolarHBondContact N-O 3Å; C283-L296 PolarHBondContact O-N 3.26Å
284	H	97.4	Very high	94.4	Very high	33 Å²	33	51 Å²	51	15%	0.153	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.5	175.7	-66	-100.5	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.43Å; T240-H284 PolarHBondContact N-O 2.78Å; T240-H284 PolarHBondContact O-N 3.16Å; Q242-H284 PolarHBondContact OE1-NE2 2.83Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.07Å; T282-H284 PolarHBondContact OG1-NE2 3.27Å; T282-H284 VanDerWaalsContact OG1-NE2 3.12Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 WeakPolarHBondContact CA-O 3.45Å; H284-T295 PolarHBondContact CE1-OG1 2.81Å; H284-T295 PolarHBondContact ND1-OG1 3.31Å
285	V	97.8	Very high	94.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.1	-178.6	-175.1	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.98Å; T211-V285 HydrophobicContact CG2-CB 4.41Å; T211-V285 HydrophobicContact CG2-CG1 4.13Å; T211-V285 HydrophobicContact CG2-CG2 4.03Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; L239-V285 HydrophobicContact CD1-CG1 4.1Å; L239-V285 HydrophobicContact CG-CG2 4.3Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; V285-P293 WeakPolarHBondContact O-CA 3.37Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.89Å; V285-L294 PolarHBondContact O-N 2.93Å; V285-L296 HydrophobicContact CG2-CD1 3.67Å
286	Q	97	Very high	94.8	Very high	84 Å²	84	51.3 Å²	51.3	39%	0.393	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.4	174.8	-55.7	178.7	13.8	0	0	109.1	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; T238-Q286 PolarHBondContact N-O 3.49Å; T238-Q286 PolarHBondContact O-N 3.06Å; Q286-P293 HydrophobicContact CG-CB 4.01Å; Q286-P293 HydrophobicContact CG-CG 4.12Å
287	H	95.3	Very high	95	Very high	3 Å²	3	55 Å²	55	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	137.2	-174.9	179.8	-95.8	0	0	0	110.9	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.43Å; W23-H287 VanDerWaalsContact CZ3-O 3.29Å; W23-H287 WeakPolarHBondContact CZ3-O 3.33Å; E207-H287 PolarHBondContact O-CE1 2.74Å; P209-H287 HydrophobicContact CG-CB 4.04Å; F232-H287 AromaticContact CD2-CD2 3.71Å; F232-H287 AromaticContact CD2-NE2 3.64Å; Y233-H287 PolarHBondContact O-CE1 3.09Å; P234-H287 PolarHBondContact O-NE2 3.24Å; E236-H287 PolarHBondContact O-CD2 3.49Å; I237-H287 HydrophobicContact CD1-CB 4.1Å; I237-H287 HydrophobicContact CG1-CB 3.95Å; H287-G289 PolarHBondContact CE1-N 3.4Å; H287-G289 PolarHBondContact ND1-N 3.26Å; H287-G289 PolarHBondContact O-N 3.2Å; H287-L290 HydrophobicContact CB-CD1 4.05Å; H287-L290 HydrophobicContact CB-CG 4.32Å; H287-L290 WeakPolarHBondContact O-CB 3.06Å; H287-L290 PolarHBondContact O-N 2.89Å
288	E	91.2	Very high	95.1	Very high	75 Å²	75	54.1 Å²	54.1	35%	0.35	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-29.5	-174.8	-169	177.4	165.2	0	0	115.6	W23 C25 A206 P234	W23-E288 VanDerWaalsContact CE3-CA 3.4Å; W23-E288 HydrophobicContact CE3-CB 4.18Å; W23-E288 HydrophobicContact CE3-CG 3.93Å; W23-E288 VanDerWaalsContact CH2-CA 3.48Å; W23-E288 HydrophobicContact CZ3-CB 4.27Å; W23-E288 HydrophobicContact CZ3-CG 4.39Å; W23-E288 WeakPolarHBondContact CZ3-O 3.42Å; C25-E288 PolarHBondContact SG-OE1 3.04Å; A206-E288 HydrophobicContact CB-CG 4.5Å; P234-E288 HydrophobicContact CG-CB 4.27Å; P234-E288 WeakPolarHBondContact CG-OE2 3.43Å
289	G	91	Very high	94.9	Very high	13 Å²	13	61 Å²	61	13%	0.134	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-46	174	0	0	0	0	0	111.7	H208 H287	H208-G289 PolarHBondContact CE1-O 3.43Å; H208-G289 PolarHBondContact ND1-O 2.93Å; H287-G289 PolarHBondContact CE1-N 3.4Å; H287-G289 PolarHBondContact ND1-N 3.26Å; H287-G289 PolarHBondContact O-N 3.2Å
290	L	93.8	Very high	94.3	Very high	10 Å²	10	60.4 Å²	60.4	5%	0.052	31%	0.305	C	S	.	.			trans	-69.3	128.5	-167.3	-64.5	169	0	0	0	113.2	W23 H208 P209 V285 H287 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.42Å; W23-L290 WeakPolarHBondContact CZ3-O 3.44Å; H208-L290 HydrophobicContact CB-CD2 4.15Å; H208-L290 WeakPolarHBondContact ND1-CA 3.22Å; H208-L290 PolarHBondContact ND1-N 3.25Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; H287-L290 HydrophobicContact CB-CD1 4.05Å; H287-L290 HydrophobicContact CB-CG 4.32Å; H287-L290 WeakPolarHBondContact O-CB 3.06Å; H287-L290 PolarHBondContact O-N 2.89Å; L290-E292 WeakPolarHBondContact CB-O 3.4Å; L290-E292 PolarHBondContact O-N 2.99Å; L290-L294 HydrophobicContact CD1-CD1 3.98Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CD2 4.38Å; L290-L294 HydrophobicContact CD2-CG 3.84Å; L290-L294 HydrophobicContact CG-CD1 4.49Å; L290-L294 HydrophobicContact CG-CG 4.47Å
291	P	91.6	Very high	92.7	Very high	120 Å²	120	61 Å²	61	78%	0.779	32%	0.322	S	S	*	.	S	Bend	trans	-66.6	-30.3	175.9	29	-35.3	0	0	0	112.1
292	E	92.8	Very high	90.5	Very high	149 Å²	149	65.5 Å²	65.5	70%	0.696	36%	0.356	S	S	*	.	S	Bend	trans	-141	148.4	175.1	-66.2	-177	178.9	0	0	109.2	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.4Å; L290-E292 PolarHBondContact O-N 2.99Å; E292-L294 PolarHBondContact O-N 2.79Å
293	P	95.2	Very high	88	Confident	60 Å²	60	72.4 Å²	72.4	39%	0.39	39%	0.388	S	S	.	.			trans	-54.5	137	174.3	-27.1	36.1	0	0	0	112.6	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.37Å; Q286-P293 HydrophobicContact CG-CB 4.01Å; Q286-P293 HydrophobicContact CG-CG 4.12Å
294	L	96.4	Very high	85.4	Confident	61 Å²	61	77.4 Å²	77.4	32%	0.319	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	141.4	175.2	-63.2	177.6	0	0	0	110.4	T211 H284 V285 L290 E292 L296	T211-L294 HydrophobicContact CG2-CD1 4.32Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 WeakPolarHBondContact CA-O 3.45Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.89Å; V285-L294 PolarHBondContact O-N 2.93Å; L290-L294 HydrophobicContact CD1-CD1 3.98Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CD2 4.38Å; L290-L294 HydrophobicContact CD2-CG 3.84Å; L290-L294 HydrophobicContact CG-CD1 4.49Å; L290-L294 HydrophobicContact CG-CG 4.47Å; E292-L294 PolarHBondContact O-N 2.79Å; L294-L296 HydrophobicContact CB-CD1 4.21Å
295	T	97.1	Very high	83.3	Confident	84 Å²	84	82.1 Å²	82.1	52%	0.515	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116	170.6	-56.3	0	0	0	0	108.5	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.94Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.5Å; H284-T295 PolarHBondContact CE1-OG1 2.81Å; H284-T295 PolarHBondContact ND1-OG1 3.31Å
296	L	96.6	Very high	81.2	Confident	28 Å²	28	87 Å²	87	15%	0.147	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.9	-178	-61.4	109	0	0	0	111	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.29Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.49Å; V213-L296 HydrophobicContact CG2-CB 3.81Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.32Å; C283-L296 HydrophobicContact CB-CB 4.32Å; C283-L296 PolarHBondContact N-O 3Å; C283-L296 PolarHBondContact O-N 3.26Å; V285-L296 HydrophobicContact CG2-CD1 3.67Å; L294-L296 HydrophobicContact CB-CD1 4.21Å
297	R	95.5	Very high	79.3	Confident	145 Å²	145	87 Å²	87	55%	0.547	48%	0.484	S	S	.	.			trans	-118.2	161.2	165.9	-70.6	-176.2	177.7	163.4	-0.8	109.3	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.63Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-E299 PolarHBondContact O-N 3.36Å
298	W	94.9	Very high	77.7	Confident	45 Å²	45	92.7 Å²	92.7	17%	0.17	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-70	121	168.1	170.7	57.1	0	0	0	110.1	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.81Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 3.99Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.77Å; H215-W298 AromaticContact ND1-CZ2 3.95Å; L225-W298 HydrophobicContact CD1-CB 4.36Å; L225-W298 HydrophobicContact CD2-CB 3.78Å; L225-W298 HydrophobicContact CD2-CD2 4.34Å; L225-W298 HydrophobicContact CD2-CG 3.9Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.83Å; E278-W298 HydrophobicContact CG-CE3 3.8Å; E278-W298 HydrophobicContact CG-CZ3 3.81Å; Q279-W298 PolarHBondContact NE2-O 3.26Å; W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.3Å; W298-P300 HydrophobicContact CH2-CG 3.95Å; W298-P300 HydrophobicContact CZ2-CB 4.07Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.13Å
299	E	88.6	Confident	76.3	Confident	165 Å²	165	94.9 Å²	94.9	77%	0.771	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-99	119.8	169.7	-71.9	-177.8	176.9	0	0	109.2	R297 S301	R297-E299 PolarHBondContact O-N 3.36Å; E299-S301 PolarHBondContact O-N 3.04Å
300	P	81	Confident	75.2	Confident	77 Å²	77	96.4 Å²	96.4	50%	0.5	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-58.3	125.2	171.2	-19.9	30.5	0	0	0	108.8	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.3Å; W298-P300 HydrophobicContact CH2-CG 3.95Å; W298-P300 HydrophobicContact CZ2-CB 4.07Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.13Å; P300-S302 PolarHBondContact O-N 3.46Å
301	S	63.1	Low	74.2	Confident	99 Å²	99	100.3 Å²	100.3	69%	0.692	57%	0.567	S	S	*	*			trans	-51.6	106.6	177.7	133.7	0	0	0	0	109.6	E299 Q303	E299-S301 PolarHBondContact O-N 3.04Å; S301-Q303 PolarHBondContact O-N 2.84Å
302	S	49.1	Very low	73.4	Confident	113 Å²	113	98.9 Å²	98.9	79%	0.79	56%	0.556	S	S	*	*			trans	-78.4	65.2	166.3	59.9	0	0	0	0	108.3	P300 P304	P300-S302 PolarHBondContact O-N 3.46Å; S302-P304 WeakPolarHBondContact O-CD 3.44Å
303	Q	45.3	Very low	72.6	Confident	157 Å²	157	94.2 Å²	94.2	73%	0.734	54%	0.543	S	S	*	.			trans	-66	115	154.9	-82	-168.9	-12.3	0	0	105.1	S301 T305	S301-Q303 PolarHBondContact O-N 2.84Å; Q303-T305 PolarHBondContact O-N 2.9Å
304	P	43.8	Very low	71.9	Confident	105 Å²	105	93 Å²	93	68%	0.682	54%	0.541	S	S	*	.			trans	-60.3	115.7	167.7	16.5	-12.1	0	0	0	104.4	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-I306 PolarHBondContact O-N 2.67Å
305	T	51.4	Low	71.4	Confident	132 Å²	132	95.4 Å²	95.4	81%	0.81	55%	0.553	S	S	*	*			trans	-63	85.1	160.7	-39.1	0	0	0	0	104.3	Q303 P307	Q303-T305 PolarHBondContact O-N 2.9Å; T305-P307 VanDerWaalsContact O-CD 3.27Å; T305-P307 WeakPolarHBondContact O-CD 3.48Å
306	I	55.1	Low	70.7	Confident	102 Å²	102	94 Å²	94	52%	0.523	55%	0.55	S	S	.	*			trans	-50.6	118.9	167.2	-63.4	175.1	0	0	0	102.8	P304 I308 I311	P304-I306 PolarHBondContact O-N 2.67Å; I306-I308 HydrophobicContact CG2-CG1 4.46Å; I306-I308 PolarHBondContact O-N 3.19Å; I306-I311 HydrophobicContact CG2-CD1 3.83Å
307	P	57.8	Low	70.1	Confident	83 Å²	83	96.9 Å²	96.9	54%	0.539	57%	0.569	S	S	.	*			trans	-73.3	79.7	-175.6	29.1	-32.5	0	0	0	106.4	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.27Å; T305-P307 WeakPolarHBondContact O-CD 3.48Å; P307-V309 PolarHBondContact O-N 3.26Å; P307-V309 VanDerWaalsContact O-N 3.15Å; P307-G310 WeakPolarHBondContact O-CA 3.35Å; P307-G310 PolarHBondContact O-N 3.27Å; P307-I311 PolarHBondContact O-N 3.4Å; P307-I311 VanDerWaalsContact O-N 3.08Å
308	I	61.3	Low	69.6	Low	123 Å²	123	95.4 Å²	95.4	63%	0.631	57%	0.571	S	S	*	*	H	α-helix	trans	-54.7	-35.4	178.1	-68.4	165.6	0	0	0	108.2	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.46Å; I306-I308 PolarHBondContact O-N 3.19Å; I308-G310 PolarHBondContact O-N 3.49Å; I308-I311 PolarHBondContact O-N 2.79Å; I308-V312 HydrophobicContact CG2-CG2 4.28Å; I308-V312 WeakPolarHBondContact O-CB 3.42Å; I308-V312 WeakPolarHBondContact O-CG2 3.12Å; I308-V312 PolarHBondContact O-N 3.48Å
309	V	61.4	Low	69.1	Low	122 Å²	122	95.9 Å²	95.9	74%	0.739	59%	0.585	S	S	*	*	H	α-helix	trans	-61.3	-41.4	172.7	-178.8	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.26Å; P307-V309 VanDerWaalsContact O-N 3.15Å; V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 2.94Å
310	G	67.1	Low	69	Low	44 Å²	44	92.2 Å²	92.2	45%	0.454	57%	0.574	S	S	.	*	H	α-helix	trans	-68.9	-38.2	178.9	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.35Å; P307-G310 PolarHBondContact O-N 3.27Å; I308-G310 PolarHBondContact O-N 3.49Å; G310-G314 PolarHBondContact O-N 2.96Å
311	I	73.4	Confident	69.2	Low	92 Å²	92	93.5 Å²	93.5	47%	0.472	58%	0.576	S	S	.	*	H	α-helix	trans	-69.4	-44.3	176.1	-61.7	173.8	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.83Å; P307-I311 PolarHBondContact O-N 3.4Å; P307-I311 VanDerWaalsContact O-N 3.08Å; I308-I311 PolarHBondContact O-N 2.79Å; I311-G314 PolarHBondContact O-N 3.39Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.44Å
312	V	74.6	Confident	70.1	Confident	90 Å²	90	91.9 Å²	91.9	55%	0.545	57%	0.568	S	S	.	*	H	α-helix	trans	-65.1	-42.9	178	172.7	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.28Å; I308-V312 WeakPolarHBondContact O-CB 3.42Å; I308-V312 WeakPolarHBondContact O-CG2 3.12Å; I308-V312 PolarHBondContact O-N 3.48Å; V312-L315 PolarHBondContact O-N 2.92Å; V312-A316 WeakPolarHBondContact O-CB 3.38Å; V312-A316 PolarHBondContact O-N 3.34Å
313	A	75.8	Confident	71.7	Confident	52 Å²	52	91 Å²	91	43%	0.43	56%	0.558	S	S	.	*	H	α-helix	trans	-63.6	-43.2	175.2	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.47Å; V309-A313 PolarHBondContact O-N 2.94Å; A313-A316 PolarHBondContact O-N 3.19Å; A313-V317 WeakPolarHBondContact O-CG2 3.22Å; A313-V317 PolarHBondContact O-N 2.89Å
314	G	81.2	Confident	73.5	Confident	34 Å²	34	88.2 Å²	88.2	35%	0.351	55%	0.548	S	S	.	.	H	α-helix	trans	-61.8	-43.7	176.8	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.96Å; I311-G314 PolarHBondContact O-N 3.39Å; G314-V317 PolarHBondContact O-N 2.91Å; G314-L318 PolarHBondContact O-N 3.38Å
315	L	85	Confident	75.3	Confident	111 Å²	111	85.2 Å²	85.2	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-66.8	-38.2	176.7	-72.6	172.2	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.44Å; V312-L315 PolarHBondContact O-N 2.92Å; L315-L318 PolarHBondContact O-N 2.72Å; L315-A319 WeakPolarHBondContact O-CB 3.33Å; L315-A319 PolarHBondContact O-N 3.19Å
316	A	82.7	Confident	76.6	Confident	54 Å²	54	81.6 Å²	81.6	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-63.3	-43.1	175.7	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.38Å; V312-A316 PolarHBondContact O-N 3.34Å; A313-A316 PolarHBondContact O-N 3.19Å; A316-A319 PolarHBondContact O-N 3.37Å; A316-V320 WeakPolarHBondContact O-CG2 3.2Å; A316-V320 PolarHBondContact O-N 3.23Å
317	V	85.1	Confident	77.8	Confident	89 Å²	89	80.6 Å²	80.6	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-63.8	-44.2	176.5	173	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.22Å; A313-V317 PolarHBondContact O-N 2.89Å; G314-V317 PolarHBondContact O-N 2.91Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.95Å; V317-V320 PolarHBondContact O-N 3.3Å; V317-L321 HydrophobicContact CG1-CD1 4.01Å; V317-L321 HydrophobicContact CG1-CG 4.42Å; V317-L321 WeakPolarHBondContact O-CG 3.26Å; V317-L321 PolarHBondContact O-N 3.01Å
318	L	84.8	Confident	78.8	Confident	114 Å²	114	80.8 Å²	80.8	60%	0.597	52%	0.517	S	S	*	.	H	α-helix	trans	-61.3	-41.5	176.5	-85	164.1	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.38Å; L315-L318 PolarHBondContact O-N 2.72Å; L318-L321 PolarHBondContact O-N 3.47Å; L318-A322 WeakPolarHBondContact O-CB 3.34Å; L318-A322 PolarHBondContact O-N 2.7Å
319	A	84.6	Confident	79.3	Confident	56 Å²	56	77.4 Å²	77.4	46%	0.463	51%	0.508	S	S	.	.	H	α-helix	trans	-63	-43.7	176.4	0	0	0	0	0	111.8	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.33Å; L315-A319 PolarHBondContact O-N 3.19Å; A316-A319 PolarHBondContact O-N 3.37Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.95Å; A319-A322 PolarHBondContact O-N 3.44Å; A319-V323 WeakPolarHBondContact O-CG2 3.37Å; A319-V323 PolarHBondContact O-N 3.47Å
320	V	85.3	Confident	79.9	Confident	87 Å²	87	75.5 Å²	75.5	53%	0.527	50%	0.496	S	S	.	.	H	α-helix	trans	-62.4	-44.1	176.4	171.9	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.2Å; A316-V320 PolarHBondContact O-N 3.23Å; V317-V320 PolarHBondContact O-N 3.3Å; V320-A322 PolarHBondContact O-N 3.31Å; V320-V323 PolarHBondContact O-N 3.06Å; V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 WeakPolarHBondContact O-CG 3.36Å; V320-L324 PolarHBondContact O-N 3.21Å
321	L	85.3	Confident	80.2	Confident	104 Å²	104	77.2 Å²	77.2	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-39	177.6	-71	173.8	0	0	0	112.4	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.01Å; V317-L321 HydrophobicContact CG1-CG 4.42Å; V317-L321 WeakPolarHBondContact O-CG 3.26Å; V317-L321 PolarHBondContact O-N 3.01Å; L318-L321 PolarHBondContact O-N 3.47Å; L321-L324 PolarHBondContact O-N 2.99Å; L321-G325 PolarHBondContact O-N 3.2Å
322	A	83	Confident	80.2	Confident	65 Å²	65	79 Å²	79	54%	0.537	51%	0.506	S	S	.	.	H	α-helix	trans	-64.2	-41.8	175.8	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.34Å; L318-A322 PolarHBondContact O-N 2.7Å; A319-A322 PolarHBondContact O-N 3.44Å; V320-A322 PolarHBondContact O-N 3.31Å; A322-G325 PolarHBondContact O-N 3.04Å; A322-A326 WeakPolarHBondContact O-CB 3.31Å; A322-A326 PolarHBondContact O-N 3.03Å
323	V	82.8	Confident	79.6	Confident	95 Å²	95	78.9 Å²	78.9	58%	0.576	51%	0.508	S	S	*	.	H	α-helix	trans	-64.5	-45.3	175.8	173.3	0	0	0	0	110.8	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.37Å; A319-V323 PolarHBondContact O-N 3.47Å; V320-V323 PolarHBondContact O-N 3.06Å; V323-G325 PolarHBondContact O-N 3.42Å; V323-A326 PolarHBondContact O-N 3.06Å; V323-V327 HydrophobicContact CG1-CG2 4.5Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.43Å; V323-V327 PolarHBondContact O-N 3.33Å
324	L	82.3	Confident	78.9	Confident	99 Å²	99	85.6 Å²	85.6	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-61.6	-43.3	176	-73.1	169.2	0	0	0	111.7	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 WeakPolarHBondContact O-CG 3.36Å; V320-L324 PolarHBondContact O-N 3.21Å; L321-L324 PolarHBondContact O-N 2.99Å; L324-A326 PolarHBondContact O-N 3.31Å; L324-V327 PolarHBondContact O-N 2.87Å; L324-V328 WeakPolarHBondContact O-CG2 3.21Å; L324-V328 PolarHBondContact O-N 3.22Å
325	G	81.9	Confident	77.7	Confident	41 Å²	41	93.9 Å²	93.9	42%	0.423	54%	0.542	S	S	.	.	H	α-helix	trans	-60.3	-43.7	175.1	0	0	0	0	0	112.6	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 3.2Å; A322-G325 PolarHBondContact O-N 3.04Å; V323-G325 PolarHBondContact O-N 3.42Å; G325-V328 PolarHBondContact O-N 2.87Å; G325-A329 WeakPolarHBondContact O-CB 3.47Å; G325-A329 PolarHBondContact O-N 3.17Å
326	A	79	Confident	76.1	Confident	56 Å²	56	97.2 Å²	97.2	46%	0.463	55%	0.552	S	S	.	*	H	α-helix	trans	-64.2	-41.5	175.8	0	0	0	0	0	112.2	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.31Å; A322-A326 PolarHBondContact O-N 3.03Å; V323-A326 PolarHBondContact O-N 3.06Å; L324-A326 PolarHBondContact O-N 3.31Å; A326-A329 PolarHBondContact O-N 3.09Å; A326-V330 WeakPolarHBondContact O-CB 3.39Å; A326-V330 VanDerWaalsContact O-CG2 3.29Å; A326-V330 WeakPolarHBondContact O-CG2 3.3Å; A326-V330 PolarHBondContact O-N 3.03Å
327	V	79.7	Confident	74.6	Confident	82 Å²	82	99.2 Å²	99.2	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-63.1	-45.2	176.4	171.6	0	0	0	0	110.9	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.5Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.43Å; V323-V327 PolarHBondContact O-N 3.33Å; L324-V327 PolarHBondContact O-N 2.87Å; V327-A329 PolarHBondContact O-N 3.01Å; V327-V330 PolarHBondContact O-N 2.91Å; V327-V331 HydrophobicContact CG1-CG2 4.41Å; V327-V331 WeakPolarHBondContact O-CB 3.17Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.5Å; V327-V331 PolarHBondContact O-N 2.83Å
328	V	77.8	Confident	72.8	Confident	87 Å²	87	100 Å²	100	53%	0.527	57%	0.573	S	S	.	*	H	α-helix	trans	-62.2	-43.7	176.4	173.6	0	0	0	0	110.9	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.21Å; L324-V328 PolarHBondContact O-N 3.22Å; G325-V328 PolarHBondContact O-N 2.87Å; V328-V330 PolarHBondContact O-N 3.48Å; V328-V331 PolarHBondContact O-N 3.23Å; V328-M332 HydrophobicContact CG1-CG 4.38Å; V328-M332 HydrophobicContact CG1-SD 4.28Å; V328-M332 WeakPolarHBondContact O-CB 3.46Å; V328-M332 WeakPolarHBondContact O-CG 3.24Å; V328-M332 PolarHBondContact O-N 2.95Å
329	A	73.8	Confident	70.8	Confident	52 Å²	52	97.7 Å²	97.7	43%	0.43	58%	0.576	S	S	.	*	H	α-helix	trans	-61.2	-43.3	176.7	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.47Å; G325-A329 PolarHBondContact O-N 3.17Å; A326-A329 PolarHBondContact O-N 3.09Å; V327-A329 PolarHBondContact O-N 3.01Å; A329-M332 PolarHBondContact O-N 3.4Å; A329-C333 WeakPolarHBondContact O-CB 3.39Å; A329-C333 PolarHBondContact O-N 2.72Å; A329-C333 PolarHBondContact O-SG 2.94Å
330	V	74.1	Confident	68.5	Low	81 Å²	81	98.7 Å²	98.7	49%	0.491	59%	0.591	S	S	.	*	H	α-helix	trans	-65	-41.3	176.1	170	0	0	0	0	111.6	A326 V327 V328 C333 R334	A326-V330 WeakPolarHBondContact O-CB 3.39Å; A326-V330 VanDerWaalsContact O-CG2 3.29Å; A326-V330 WeakPolarHBondContact O-CG2 3.3Å; A326-V330 PolarHBondContact O-N 3.03Å; V327-V330 PolarHBondContact O-N 2.91Å; V328-V330 PolarHBondContact O-N 3.48Å; V330-C333 PolarHBondContact O-N 2.71Å; V330-R334 WeakPolarHBondContact O-CB 3.31Å; V330-R334 WeakPolarHBondContact O-CG 3.35Å; V330-R334 PolarHBondContact O-N 3.3Å
331	V	73.1	Confident	66.1	Low	80 Å²	80	105.1 Å²	105.1	49%	0.485	61%	0.612	S	S	.	*	H	α-helix	trans	-66.6	-40.1	177.2	171.1	0	0	0	0	111.2	V327 V328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.41Å; V327-V331 WeakPolarHBondContact O-CB 3.17Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.5Å; V327-V331 PolarHBondContact O-N 2.83Å; V328-V331 PolarHBondContact O-N 3.23Å; V331-R334 PolarHBondContact O-N 2.99Å; V331-R335 PolarHBondContact O-N 3.08Å
332	M	71.8	Confident	63.6	Low	131 Å²	131	104 Å²	104	65%	0.645	63%	0.626	S	S	*	*	H	α-helix	trans	-67.1	-41.2	174.8	-72.8	-168.3	74.8	0	0	112.2	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.38Å; V328-M332 HydrophobicContact CG1-SD 4.28Å; V328-M332 WeakPolarHBondContact O-CB 3.46Å; V328-M332 WeakPolarHBondContact O-CG 3.24Å; V328-M332 PolarHBondContact O-N 2.95Å; A329-M332 PolarHBondContact O-N 3.4Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.23Å; M332-R335 PolarHBondContact O-N 3.31Å; M332-K336 WeakPolarHBondContact O-CB 3.23Å; M332-K336 PolarHBondContact O-N 3.05Å
333	C	62.5	Low	61.2	Low	87 Å²	87	104.8 Å²	104.8	59%	0.588	64%	0.64	S	S	*	*	H	α-helix	trans	-62	-39.9	172.9	-79.4	0	0	0	0	111.7	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.39Å; A329-C333 PolarHBondContact O-N 2.72Å; A329-C333 PolarHBondContact O-SG 2.94Å; V330-C333 PolarHBondContact O-N 2.71Å; C333-K336 PolarHBondContact O-N 2.72Å; C333-S337 PolarHBondContact O-N 3.19Å; C333-S337 PolarHBondContact O-OG 3.2Å
334	R	60.8	Low	58.9	Low	192 Å²	192	106 Å²	106	73%	0.725	65%	0.653	S	S	*	*	H	α-helix	trans	-69.4	-32.4	175.3	-79.6	-173.5	150.2	163.1	-3.7	113.7	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.31Å; V330-R334 WeakPolarHBondContact O-CG 3.35Å; V330-R334 PolarHBondContact O-N 3.3Å; V331-R334 PolarHBondContact O-N 2.99Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.23Å; R334-K336 VanDerWaalsContact C-N 3.35Å; R334-S337 PolarHBondContact O-OG 3.38Å
335	R	56.9	Low	56.6	Low	209 Å²	209	106.7 Å²	106.7	79%	0.789	67%	0.665	S	S	*	*	H	α-helix	trans	-70.9	-29	170.8	-104.8	-177.1	170.3	175.4	-2	112.8	V331 M332 S338	V331-R335 PolarHBondContact O-N 3.08Å; M332-R335 PolarHBondContact O-N 3.31Å; R335-S338 PolarHBondContact O-OG 3.15Å
336	K	50.6	Low	54.2	Low	181 Å²	181	110.9 Å²	110.9	79%	0.787	69%	0.688	S	S	*	*	H	α-helix	trans	-85	-20.6	179.4	-162.9	166.2	179.8	177.1	0	113.2	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.23Å; M332-K336 PolarHBondContact O-N 3.05Å; C333-K336 PolarHBondContact O-N 2.72Å; R334-K336 VanDerWaalsContact C-N 3.35Å
337	S	51	Low	52.2	Low	96 Å²	96	117.4 Å²	117.4	67%	0.671	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	1.3	177.5	59.1	0	0	0	0	115.2	C333 R334	C333-S337 PolarHBondContact O-N 3.19Å; C333-S337 PolarHBondContact O-OG 3.2Å; R334-S337 PolarHBondContact O-OG 3.38Å
338	S	49	Very low	49.9	Very low	106 Å²	106	117.8 Å²	117.8	74%	0.741	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	23.6	175.9	73.8	0	0	0	0	114.2	R335	R335-S338 PolarHBondContact O-OG 3.15Å
339	G	42.6	Very low	47.9	Very low	64 Å²	64	118.2 Å²	118.2	66%	0.66	73%	0.733	S	S	*	*	S	Bend	trans	-152.1	96.7	176.9	0	0	0	0	0	114
340	G	36.3	Very low	46.1	Very low	77 Å²	77	121 Å²	121	79%	0.794	75%	0.75	S	S	*	*			trans	91.2	88.7	143.4	0	0	0	0	0	120.2
341	K	35.1	Very low	44	Very low	222 Å²	222	122.9 Å²	122.9	97%	0.965	77%	0.766	S	S	*	*				34.6	123.4	121	-144.1	157.6	-175.8	171.7	0	120.6
342	G	32.8	Very low	42.3	Very low	80 Å²	80	127.1 Å²	127.1	83%	0.825	79%	0.786	S	S	*	*			trans	139.1	120.4	138	0	0	0	0	0	118.4
343	G	31.3	Very low	40.8	Very low	82 Å²	82	126.8 Å²	126.8	85%	0.845	80%	0.797	S	S	*	*			trans	110.3	89.6	134.1	0	0	0	0	0	121.4
344	S	34.3	Very low	39.6	Very low	120 Å²	120	127.2 Å²	127.2	84%	0.839	81%	0.806	S	S	*	*			trans	18.6	139.7	140.1	-169	0	0	0	0	125.3
345	C	34.2	Very low	38.5	Very low	115 Å²	115	127.6 Å²	127.6	78%	0.777	82%	0.816	S	S	*	*			trans	-1.2	140	148.5	-76.6	0	0	0	0	122
346	S	31.3	Very low	37.2	Very low	129 Å²	129	121.4 Å²	121.4	90%	0.902	82%	0.817	S	S	*	*				-171.9	160.9	109	26.4	0	0	0	0	112.7
347	Q	38.5	Very low	36.6	Very low	193 Å²	193	117.9 Å²	117.9	90%	0.902	82%	0.815	S	S	*	*			trans	-120.7	145.9	-162.2	-179.6	-174.5	11.4	0	0	109.4
348	A	31.2	Very low	35.9	Very low	89 Å²	89	120.6 Å²	120.6	74%	0.736	82%	0.823	S	S	*	*			trans	-178.5	112.6	150.3	0	0	0	0	0	108
349	A	35.5	Very low	35.2	Very low	97 Å²	97	124.2 Å²	124.2	80%	0.802	83%	0.828	S	S	*	*				72	141.4	83.8	0	0	0	0	0	112.4
350	S	34.7	Very low	34.8	Very low	111 Å²	111	125.8 Å²	125.8	78%	0.776	83%	0.828	S	S	*	*			cis	-174	159.8	-6.7	52.3	0	0	0	0	106.2
351	S	30.8	Very low	34.7	Very low	120 Å²	120	129.4 Å²	129.4	84%	0.839	83%	0.829	S	S	*	*			trans	-175.6	119.3	131.5	33.2	0	0	0	0	110.5
352	N	38.1	Very low	34.6	Very low	169 Å²	169	126.1 Å²	126.1	90%	0.904	82%	0.82	S	S	*	*			trans	-100.3	148.9	161.5	-94.1	-16.4	0	0	0	107.6
353	S	38.8	Very low	34.6	Very low	124 Å²	124	126.3 Å²	126.3	87%	0.867	81%	0.814	S	S	*	*			trans	-146.6	124	150.3	44.4	0	0	0	0	108.9
354	A	38.8	Very low	34.6	Very low	95 Å²	95	128 Å²	128	79%	0.785	81%	0.812	S	S	*	*			trans	-91.9	166	178.7	0	0	0	0	0	111.4
355	Q	36.9	Very low	34.7	Very low	201 Å²	201	132.1 Å²	132.1	94%	0.939	81%	0.814	S	S	*	*				136.7	129.2	122	-156.4	162.3	18.5	0	0	113.8
356	G	29.2	Very low	34.8	Very low	78 Å²	78	134.8 Å²	134.8	80%	0.804	85%	0.845	S	S	*	*			trans	153.9	107.8	165.1	0	0	0	0	0	113.7
357	S	37.7	Very low	35	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	84%	0.842	S	S	*	*			trans	-98.7	159.8	-167.7	-31.3	0	0	0	0	114.3
358	D	36.7	Very low	34.8	Very low	154 Å²	154	132.1 Å²	132.1	82%	0.824	84%	0.839	S	S	*	*			trans	49.1	125.5	144.7	-65.1	-28.3	0	0	0	123.1
359	E	34.3	Very low	35	Very low	181 Å²	181	134.4 Å²	134.4	85%	0.846	85%	0.845	S	S	*	*				-168.3	136	108.4	-110.7	-162.9	129.2	0	0	114.3
360	S	34.4	Very low	35	Very low	97 Å²	97	136.6 Å²	136.6	68%	0.678	85%	0.847	S	S	*	*			trans	27.9	121.7	151	60.8	0	0	0	0	121
361	L	33.6	Very low	35	Very low	154 Å²	154	138.3 Å²	138.3	81%	0.806	85%	0.852	S	S	*	*				60.1	116	61	-84.4	176.1	0	0	0	118
362	I	33.2	Very low	35.3	Very low	153 Å²	153	139.5 Å²	139.5	79%	0.785	85%	0.853	S	S	*	*			trans	84.3	131.8	144.4	-58.3	162.5	0	0	0	115.5
363	A	32.2	Very low	35.1	Very low	84 Å²	84	137.4 Å²	137.4	69%	0.694	85%	0.849	S	S	*	*			cis	-149	139.1	38.6	0	0	0	0	0	111.3
364	C	33.1	Very low	34.8	Very low	118 Å²	118	138.4 Å²	138.4	80%	0.797	85%	0.848	S	S	*	*				62.9	104.4	77.1	-88.8	0	0	0	0	117
365	K	35.6	Very low	34.5	Very low	205 Å²	205	142 Å²	142	89%	0.891	85%	0.853	S	S	*	*			trans	46.4	123.5	132.9	-93.9	178.8	172.5	178.1	0	120.1
366	A	36.7	Very low	34.2	Very low	172 Å²	172	136.6 Å²	136.6	100%	1.421	85%	0.845	S	S	*	*				-136.4	0	108.9	0	0	0	0	0	108.3

Retrieved 366 of 366 residues in 166.7 ms (Link to these results)

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