A0A060VHD5_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A060VHD5, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	44.5	Very low	239 Å²	239	145.2 Å²	145.2	100%	1.177	73%	0.727	S	S	*	*				0	104.2	0	-70.7	167.8	-175.5	0	0	107.7
2	R	36.7	Very low	44.6	Very low	252 Å²	252	143.6 Å²	143.6	95%	0.951	72%	0.721	S	S	*	*			trans	-86.1	107.3	169.6	-95.7	-178.5	173.4	165.1	-2.4	106.4	M4	R2-M4 PolarHBondContact O-N 3.11Å; R2-M4 VanDerWaalsContact O-N 3.11Å
3	V	39.9	Very low	44.1	Very low	140 Å²	140	140.3 Å²	140.3	85%	0.848	71%	0.707	S	S	*	*			trans	-69.9	105.7	171.3	179.5	0	0	0	0	106.2	A5	V3-A5 PolarHBondContact O-N 3.28Å
4	M	42.7	Very low	44.1	Very low	177 Å²	177	134.8 Å²	134.8	87%	0.872	69%	0.688	S	S	*	*			trans	-80	101.1	175.5	-158.7	166.5	65.1	0	0	106.4	R2	R2-M4 PolarHBondContact O-N 3.11Å; R2-M4 VanDerWaalsContact O-N 3.11Å
5	A	46.8	Very low	44.1	Very low	55 Å²	55	128.1 Å²	128.1	46%	0.455	67%	0.665	S	S	.	*			trans	-58.9	137.2	173.7	0	0	0	0	0	109	V3 R7 L10	V3-A5 PolarHBondContact O-N 3.28Å; A5-R7 PolarHBondContact O-N 3.31Å; A5-L10 HydrophobicContact CB-CD1 4.34Å
6	P	48.4	Very low	43.9	Very low	72 Å²	72	123.2 Å²	123.2	47%	0.468	65%	0.649	S	S	.	*			trans	-62	129.6	-178.9	-16.6	29.9	0	0	0	109.3	T8 L9 L10	P6-T8 WeakPolarHBondContact CB-OG1 3.38Å; P6-T8 PolarHBondContact O-N 3.23Å; P6-L9 HydrophobicContact CB-CB 4.45Å; P6-L9 WeakPolarHBondContact O-CB 3.45Å; P6-L9 PolarHBondContact O-N 3.04Å; P6-L10 PolarHBondContact O-N 2.84Å
7	R	50.6	Low	43.3	Very low	225 Å²	225	122.6 Å²	122.6	85%	0.849	65%	0.646	S	S	*	*	H	α-helix	trans	-52.4	-26.9	174.9	-93.7	178.2	159.3	141.6	-6.5	113	A5 L11	A5-R7 PolarHBondContact O-N 3.31Å; R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.03Å
8	T	50	Low	43	Very low	99 Å²	99	118.8 Å²	118.8	61%	0.607	64%	0.635	S	S	*	*	H	α-helix	trans	-67.1	-34.6	173.1	33.7	0	0	0	0	113.5	P6 L12	P6-T8 WeakPolarHBondContact CB-OG1 3.38Å; P6-T8 PolarHBondContact O-N 3.23Å; T8-L12 WeakPolarHBondContact O-CG 3.38Å; T8-L12 PolarHBondContact O-N 3.45Å; T8-L12 VanDerWaalsContact O-N 3.15Å
9	L	44	Very low	42.8	Very low	98 Å²	98	117.4 Å²	117.4	51%	0.513	63%	0.627	S	S	.	*	H	α-helix	trans	-71.8	-37.5	178	-146.7	90.3	0	0	0	111.3	P6 L13	P6-L9 HydrophobicContact CB-CB 4.45Å; P6-L9 WeakPolarHBondContact O-CB 3.45Å; P6-L9 PolarHBondContact O-N 3.04Å; L9-L13 WeakPolarHBondContact O-CD1 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 2.8Å; L9-L13 VanDerWaalsContact O-N 3.12Å
10	L	45.1	Very low	42.5	Very low	117 Å²	117	116.2 Å²	116.2	61%	0.613	62%	0.624	S	S	*	*	H	α-helix	trans	-65.7	-41	175	-110.3	97.4	0	0	0	112	A5 P6 L13 S14	A5-L10 HydrophobicContact CB-CD1 4.34Å; P6-L10 PolarHBondContact O-N 2.84Å; L10-L13 PolarHBondContact O-N 3.15Å; L10-S14 PolarHBondContact O-N 3.43Å; L10-S14 PolarHBondContact O-OG 3.04Å
11	L	51.5	Low	42.3	Very low	123 Å²	123	118.7 Å²	118.7	64%	0.644	63%	0.632	S	S	*	*	H	α-helix	trans	-66.3	-41	178.7	-76.4	166.9	0	0	0	112.6	R7 S14 G15	R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 3.03Å; L11-S14 VanDerWaalsContact CA-OG 3.29Å; L11-S14 WeakPolarHBondContact CA-OG 3.29Å; L11-S14 PolarHBondContact O-N 2.7Å; L11-S14 PolarHBondContact O-OG 2.67Å; L11-G15 PolarHBondContact O-N 3.01Å
12	L	45.3	Very low	42.7	Very low	126 Å²	126	112.1 Å²	112.1	66%	0.66	61%	0.606	S	S	*	*	H	α-helix	trans	-64.1	-38.6	174.6	-74.9	166.5	0	0	0	112.2	T8 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.38Å; T8-L12 PolarHBondContact O-N 3.45Å; T8-L12 VanDerWaalsContact O-N 3.15Å; L12-G15 PolarHBondContact O-N 2.89Å; L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 2.62Å
13	L	38.5	Very low	43.3	Very low	101 Å²	101	104.1 Å²	104.1	53%	0.529	58%	0.575	S	S	.	*	H	α-helix	trans	-67.9	-37.5	175.1	-80.1	159.4	0	0	0	112.3	L9 L10 L17	L9-L13 WeakPolarHBondContact O-CD1 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 2.8Å; L9-L13 VanDerWaalsContact O-N 3.12Å; L10-L13 PolarHBondContact O-N 3.15Å; L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 WeakPolarHBondContact O-CD1 3.25Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 2.94Å
14	S	43.3	Very low	44	Very low	63 Å²	63	99.6 Å²	99.6	44%	0.441	55%	0.553	S	S	.	*	H	α-helix	trans	-72.2	-33	174.2	39.6	0	0	0	0	113.5	L10 L11 A18	L10-S14 PolarHBondContact O-N 3.43Å; L10-S14 PolarHBondContact O-OG 3.04Å; L11-S14 VanDerWaalsContact CA-OG 3.29Å; L11-S14 WeakPolarHBondContact CA-OG 3.29Å; L11-S14 PolarHBondContact O-N 2.7Å; L11-S14 PolarHBondContact O-OG 2.67Å; S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 2.93Å; S14-A18 VanDerWaalsContact O-N 3.08Å
15	G	44.9	Very low	45.4	Very low	34 Å²	34	94 Å²	94	35%	0.351	53%	0.531	S	S	.	.	H	α-helix	trans	-67.3	-43.1	171.6	0	0	0	0	0	112.1	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.01Å; L12-G15 PolarHBondContact O-N 2.89Å; G15-A18 PolarHBondContact O-N 2.8Å; G15-L19 WeakPolarHBondContact O-CB 3.44Å; G15-L19 WeakPolarHBondContact O-CD1 3.33Å; G15-L19 PolarHBondContact O-N 3.33Å
16	A	40.8	Very low	47.4	Very low	50 Å²	50	95 Å²	95	41%	0.413	53%	0.534	S	S	.	.	H	α-helix	trans	-66.3	-39.5	175.9	0	0	0	0	0	112.6	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 2.62Å; A16-L19 PolarHBondContact O-N 2.91Å; A16-T20 WeakPolarHBondContact O-CG2 3.21Å; A16-T20 PolarHBondContact O-N 3.38Å; A16-T20 PolarHBondContact O-OG1 3.12Å
17	L	34.3	Very low	49.6	Very low	113 Å²	113	93.1 Å²	93.1	59%	0.592	52%	0.519	S	S	*	.	H	α-helix	trans	-66.8	-39	176	-78.5	163	0	0	0	112.4	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 WeakPolarHBondContact O-CD1 3.25Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 2.94Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-T20 WeakPolarHBondContact CA-OG1 3.25Å; L17-T20 PolarHBondContact O-N 3.46Å; L17-T20 PolarHBondContact O-OG1 2.96Å; L17-E21 PolarHBondContact O-N 2.92Å; L17-E21 VanDerWaalsContact O-N 3.08Å
18	A	38	Very low	51.8	Low	55 Å²	55	83.5 Å²	83.5	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-67.1	-32.6	173.5	0	0	0	0	0	112.6	S14 G15 T22	S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 2.93Å; S14-A18 VanDerWaalsContact O-N 3.08Å; G15-A18 PolarHBondContact O-N 2.8Å; A18-T22 PolarHBondContact O-OG1 2.88Å
19	L	38.7	Very low	54.1	Low	91 Å²	91	78.8 Å²	78.8	48%	0.476	46%	0.457	S	S	.	.	H	α-helix	trans	-71.3	-32	173.1	-89.1	152.6	0	0	0	112.5	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.44Å; G15-L19 WeakPolarHBondContact O-CD1 3.33Å; G15-L19 PolarHBondContact O-N 3.33Å; A16-L19 PolarHBondContact O-N 2.91Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L19-T22 PolarHBondContact O-OG1 3.05Å; L19-T22 VanDerWaalsContact O-OG1 3.11Å
20	T	36.7	Very low	56.7	Low	94 Å²	94	76.5 Å²	76.5	58%	0.577	44%	0.442	S	S	*	.	H	α-helix	trans	-80.5	-30	177.5	51.9	0	0	0	0	114	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.21Å; A16-T20 PolarHBondContact O-N 3.38Å; A16-T20 PolarHBondContact O-OG1 3.12Å; L17-T20 WeakPolarHBondContact CA-OG1 3.25Å; L17-T20 PolarHBondContact O-N 3.46Å; L17-T20 PolarHBondContact O-OG1 2.96Å; T20-T22 VanDerWaalsContact C-N 3.32Å
21	E	37.7	Very low	59.3	Low	168 Å²	168	71.2 Å²	71.2	79%	0.785	41%	0.414	S	S	*	.	H	α-helix	trans	-73.4	-23.4	177.2	-94.7	-174.6	159.9	0	0	113.3	L17 W23	L17-E21 PolarHBondContact O-N 2.92Å; L17-E21 VanDerWaalsContact O-N 3.08Å; E21-W23 VanDerWaalsContact C-N 3.28Å; E21-W23 PolarHBondContact O-N 3.18Å
22	T	42.3	Very low	61.5	Low	101 Å²	101	69.5 Å²	69.5	62%	0.62	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.7	-177.4	39	0	0	0	0	114.1	A18 L19 T20	A18-T22 PolarHBondContact O-OG1 2.88Å; L19-T22 PolarHBondContact O-OG1 3.05Å; L19-T22 VanDerWaalsContact O-OG1 3.11Å; T20-T22 VanDerWaalsContact C-N 3.32Å
23	W	50.9	Low	64.1	Low	84 Å²	84	63.9 Å²	63.9	32%	0.318	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	14.4	-173.1	-71.5	69.5	0	0	0	113.7	E21 C25 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.28Å; E21-W23 PolarHBondContact O-N 3.18Å; W23-C25 PolarHBondContact O-N 2.85Å; W23-C25 VanDerWaalsContact O-N 3.16Å; W23-H287 WeakPolarHBondContact CH2-O 3.1Å; W23-H287 WeakPolarHBondContact CZ3-O 3.38Å; W23-E288 HydrophobicContact CE3-CB 4.28Å; W23-E288 HydrophobicContact CE3-CG 4.02Å; W23-E288 VanDerWaalsContact CH2-CA 3.48Å; W23-E288 HydrophobicContact CZ3-CB 4.32Å; W23-E288 HydrophobicContact CZ3-CG 4.41Å; W23-E288 WeakPolarHBondContact CZ3-O 3.34Å; W23-L290 HydrophobicContact CH2-CB 4.46Å; W23-L290 WeakPolarHBondContact CH2-O 3.47Å; W23-L290 WeakPolarHBondContact CZ3-O 3.44Å
24	A	54.1	Low	66.9	Low	45 Å²	45	61 Å²	61	37%	0.372	36%	0.358	S	S	.	.	S	Bend	trans	-77.5	104	171.4	0	0	0	0	0	107	S26 P129	A24-S26 PolarHBondContact O-N 3.17Å; A24-P129 HydrophobicContact CB-CB 4.04Å; A24-P129 HydrophobicContact CB-CG 3.19Å
25	C	70.9	Confident	69.6	Low	61 Å²	61	58.1 Å²	58.1	41%	0.412	34%	0.338	S	S	.	.			trans	-49	102	-173.7	-58	0	0	0	0	111.3	W23 E288	W23-C25 PolarHBondContact O-N 2.85Å; W23-C25 VanDerWaalsContact O-N 3.16Å; C25-E288 PolarHBondContact SG-OE1 2.94Å
26	S	89.6	Confident	72.1	Confident	74 Å²	74	58.8 Å²	58.8	52%	0.517	34%	0.335	S	S	.	.			trans	-94.8	144.3	169.8	59.3	0	0	0	0	108.7	A24 L127	A24-S26 PolarHBondContact O-N 3.17Å; S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.3Å; S26-L127 VanDerWaalsContact CB-O 3.3Å; S26-L127 WeakPolarHBondContact CB-O 3.34Å
27	H	94.5	Very high	74.9	Confident	33 Å²	33	57.2 Å²	57.2	15%	0.153	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.9	177.9	-67.2	-75.2	0	0	0	110.6	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.4Å; H27-D53 IonicContact CE1-OD2 3.06Å; H27-D53 IonicContact CG-OD2 3.61Å; H27-D53 IonicContact ND1-OD1 2.66Å; H27-D53 IonicContact ND1-OD2 2.78Å; H27-D53 PolarHBondContact ND1-OD2 3.34Å; H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.04Å; H27-L127 PolarHBondContact N-O 3.37Å; H27-L127 VanDerWaalsContact N-O 3.15Å; H27-L127 PolarHBondContact O-N 3.29Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.43Å
28	S	97.1	Very high	77.8	Confident	24 Å²	24	55.3 Å²	55.3	17%	0.168	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.6	-179.8	66.2	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.36Å; S28-D53 PolarHBondContact N-OD1 2.85Å; S28-D53 PolarHBondContact O-N 2.84Å; S28-D53 PolarHBondContact OG-OD1 2.88Å; S28-C125 WeakPolarHBondContact CA-O 3.37Å; S28-D126 WeakPolarHBondContact CB-OD1 3.29Å
29	M	98.5	Very high	80.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.2	167.5	-175.2	172.2	61.4	0	0	108.4	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CE2 4.07Å; M29-Y31 HydrophobicContact SD-CE2 4.04Å; M29-Y51 WeakPolarHBondContact CA-O 3.42Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; M29-F57 HydrophobicContact CG-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.44Å; M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; M29-C125 PolarHBondContact N-O 3.38Å; M29-C125 PolarHBondContact O-N 3.09Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.3Å; M29-C188 WeakPolarHBondContact CE-SG 3.43Å; M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.34Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.34Å; M29-L192 HydrophobicContact SD-CB 4.44Å; M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30	R	98.6	Very high	82.9	Confident	49 Å²	49	55.2 Å²	55.2	19%	0.185	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.2	-175.6	-56	-62	-176.4	76.5	2.5	110.7	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.42Å; R30-Y51 PolarHBondContact N-O 2.95Å; R30-Y51 PolarHBondContact O-N 3.06Å; R30-D126 IonicContact CZ-OD1 3.5Å; R30-D126 IonicContact NE-OD1 3.4Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 IonicContact NH2-OD1 3.49Å; R30-D126 PolarHBondContact NH2-OD1 2.82Å; R30-D126 IonicContact NH2-OD2 3.91Å; R30-D126 PolarHBondContact NH2-OD2 3.02Å; R30-Y137 PolarHBondContact NH2-OH 2.89Å
31	Y	98.8	Very high	85.6	Confident	7 Å²	7	60.5 Å²	60.5	3%	0.027	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135	170.2	-69.6	-91.9	0	0	0	109.5	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.18Å; M29-Y31 HydrophobicContact CG-CE2 4.07Å; M29-Y31 HydrophobicContact SD-CE2 4.04Å; Y31-Y33 HydrophobicContact CD1-CE1 4.36Å; Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.46Å; Y31-F57 AromaticContact CE1-CZ 3.98Å; Y31-F57 HydrophobicContact CE1-CZ 3.98Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.36Å; Y31-V58 HydrophobicContact CE1-CG1 4.03Å; Y31-M122 WeakPolarHBondContact O-CA 3.39Å; Y31-Y123 HydrophobicContact CD2-CD2 4.36Å; Y31-Y123 AromaticContact CD2-CE2 3.6Å; Y31-Y123 HydrophobicContact CD2-CE2 3.6Å; Y31-Y123 AromaticContact CD2-CZ 3.76Å; Y31-Y123 HydrophobicContact CE2-CE2 4.35Å; Y31-Y123 HydrophobicContact CG-CE1 4.26Å; Y31-Y123 HydrophobicContact CG-CE2 4.03Å; Y31-Y123 AromaticContact CG-CZ 3.7Å; Y31-Y123 PolarHBondContact N-O 3.18Å; Y31-Y123 PolarHBondContact O-N 3.2Å; Y31-Y123 VanDerWaalsContact O-N 3.14Å
32	F	98.9	Very high	88.2	Confident	86 Å²	86	55.2 Å²	55.2	38%	0.377	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.3	178.1	-57.1	-94.6	0	0	0	109.3	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.61Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; F32-A48 WeakPolarHBondContact O-CA 3.47Å; F32-V49 HydrophobicContact CB-CG2 3.85Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.3Å; F32-V49 PolarHBondContact O-N 2.96Å; F32-Y51 HydrophobicContact CD2-CD2 4.09Å; F32-Y51 HydrophobicContact CE2-CD2 4.1Å; F32-R121 WeakPolarHBondContact CA-O 3.38Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 4Å
33	Y	98.8	Very high	90.7	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.035	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.3	177.6	-60.2	-14.8	0	0	0	109.7	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.36Å; Y33-F46 HydrophobicContact CD1-CZ 4.17Å; Y33-F46 HydrophobicContact CD2-CE2 4.29Å; Y33-F46 HydrophobicContact CD2-CZ 4.06Å; Y33-F46 HydrophobicContact CE2-CZ 4.48Å; Y33-F46 HydrophobicContact CG-CE2 4.1Å; Y33-F46 AromaticContact CG-CZ 3.87Å; Y33-F46 HydrophobicContact CG-CZ 3.87Å; Y33-I47 CarbonylContact C-O 3.54Å; Y33-I47 WeakPolarHBondContact CA-O 3.34Å; Y33-A48 HydrophobicContact CD1-CB 3.3Å; Y33-A48 HydrophobicContact CE1-CB 3.39Å; Y33-A48 HydrophobicContact CG-CB 4.33Å; Y33-Y91 HydrophobicContact CE1-CD1 4.15Å; Y33-Y91 AromaticContact CE1-CE1 3.81Å; Y33-Y91 HydrophobicContact CE1-CE1 3.81Å; Y33-Y91 AromaticContact CZ-CE1 3.95Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.32Å; Y33-Q94 HydrophobicContact CD2-CG 3.63Å; Y33-Q94 HydrophobicContact CE2-CB 4.4Å; Y33-Q94 HydrophobicContact CE2-CG 3.71Å; Y33-Q120 CarbonylContact O-C 3.51Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.3Å; Y33-R121 PolarHBondContact N-O 2.96Å; Y33-R121 PolarHBondContact O-N 3.43Å; Y33-Y123 HydrophobicContact CD2-CE1 4.08Å; Y33-Y123 HydrophobicContact CE1-CE1 4.21Å; Y33-Y123 HydrophobicContact CE2-CD1 4.45Å; Y33-Y123 AromaticContact CE2-CE1 3.45Å; Y33-Y123 HydrophobicContact CE2-CE1 3.45Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.45Å; Y33-Y123 AromaticContact CZ-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CZ 3.92Å; Y33-Y123 PolarHBondContact OH-OH 3.17Å
34	T	98.9	Very high	92.9	Very high	41 Å²	41	51.9 Å²	51.9	25%	0.252	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	120.2	176	-60.3	0	0	0	0	109.3	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.94Å; T34-F46 WeakPolarHBondContact O-CA 3.3Å; T34-I47 PolarHBondContact N-O 3.04Å; T34-I47 PolarHBondContact O-N 3.04Å; T34-T118 HydrophobicContact CG2-CG2 4.06Å; T34-L119 WeakPolarHBondContact CA-O 3.38Å; T34-Q120 HydrophobicContact CG2-CG 4.15Å
35	A	98.7	Very high	95	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.4	173	0	0	0	0	0	109.9	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.57Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.46Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; A35-D98 HydrophobicContact CB-CB 3.67Å; A35-L102 HydrophobicContact CB-CD1 3.89Å; A35-T118 WeakPolarHBondContact O-CA 3.4Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 2.63Å; A35-L119 PolarHBondContact O-N 3.23Å
36	V	98.6	Very high	96.3	Very high	49 Å²	49	51.6 Å²	51.6	30%	0.297	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115	-179	-172.4	0	0	0	0	109.3	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.94Å; V36-P44 CarbonylContact O-C 3.48Å; V36-P44 WeakPolarHBondContact O-CA 3.4Å; V36-P44 WeakPolarHBondContact O-CB 3.4Å; V36-R45 PolarHBondContact N-O 2.89Å; V36-R45 PolarHBondContact O-N 2.8Å; V36-T118 HydrophobicContact CG2-CG2 4.25Å
37	S	97.9	Very high	96.7	Very high	16 Å²	16	50.4 Å²	50.4	11%	0.112	27%	0.273	C	S	.	.			trans	-69	145.3	173.6	76.2	0	0	0	0	110.5	S116 H117	S37-S116 PolarHBondContact O-OG 3.44Å; S37-H117 PolarHBondContact N-O 3.08Å; S37-H117 PolarHBondContact OG-N 3.36Å; S37-H117 PolarHBondContact OG-O 3.45Å
38	R	96.1	Very high	96.9	Very high	74 Å²	74	48.9 Å²	48.9	28%	0.279	27%	0.266	S	S	.	.			trans	-138.6	74.2	-178.7	53.6	175.1	175.9	-161.8	-10.6	111.1	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.45Å; R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.5Å; R38-R41 HydrophobicContact CG-CB 4.14Å; R38-R41 PolarHBondContact NE-O 2.89Å; R38-R41 PolarHBondContact O-N 3.24Å; R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 3.31Å; R38-E43 PolarHBondContact NH2-O 2.9Å; R38-D63 IonicContact CZ-OD1 3.35Å; R38-D63 IonicContact CZ-OD2 3.58Å; R38-D63 IonicContact NH1-OD1 3.65Å; R38-D63 PolarHBondContact NH1-OD1 3.03Å; R38-D63 IonicContact NH1-OD2 2.72Å; R38-D63 PolarHBondContact NH1-OD2 2.92Å; R38-D63 IonicContact NH2-OD1 3.46Å; R38-D63 PolarHBondContact NH2-OD1 2.93Å; R38-D63 IonicContact NH2-OD2 2.72Å
39	P	92.8	Very high	97	Very high	54 Å²	54	49 Å²	49	35%	0.351	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	129.8	-176.5	-27	34.6	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.08Å; P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.38Å; P39-E113 WeakPolarHBondContact CG-O 3.19Å; P39-G115 WeakPolarHBondContact CG-O 3.2Å
40	G	91.3	Very high	97	Very high	89 Å²	89	49 Å²	49	92%	0.918	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	1	-178.2	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.45Å
41	R	92.8	Very high	97	Very high	206 Å²	206	49.9 Å²	49.9	78%	0.777	27%	0.269	S	S	*	.	S	Bend	trans	-122.9	23.5	-179.9	-58.6	-174.5	-179.5	-173.6	0.6	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.5Å; R38-R41 HydrophobicContact CG-CB 4.14Å; R38-R41 PolarHBondContact NE-O 2.89Å; R38-R41 PolarHBondContact O-N 3.24Å; P39-R41 PolarHBondContact O-N 3.08Å
42	G	91.7	Very high	97	Very high	56 Å²	56	49.5 Å²	49.5	58%	0.577	27%	0.268	S	S	*	.	S	Bend	trans	97.1	-160	178.5	0	0	0	0	0	113.6
43	E	94.6	Very high	96.8	Very high	89 Å²	89	46.8 Å²	46.8	42%	0.416	26%	0.257	S	S	.	.	S	Bend	trans	-72.5	155.1	-178.3	-64.3	-54.9	160.3	0	0	112.7	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 3.31Å; R38-E43 PolarHBondContact NH2-O 2.9Å; E43-R45 PolarHBondContact O-N 3.19Å; E43-R99 VanDerWaalsContact CD-NE 3.3Å; E43-R99 IonicContact OE1-CZ 3.05Å; E43-R99 VanDerWaalsContact OE1-CZ 3.25Å; E43-R99 IonicContact OE1-NE 3.78Å; E43-R99 IonicContact OE1-NH2 3.43Å; E43-R99 PolarHBondContact OE1-NH2 2.92Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 3.32Å; E43-R99 IonicContact OE2-NE 3.65Å; E43-R99 PolarHBondContact OE2-NE 3.42Å; E43-R99 IonicContact OE2-NH2 3.74Å; E43-R99 PolarHBondContact OE2-NH2 3.34Å; E43-R99 VanDerWaalsContact OE2-NH2 3.15Å
44	P	97.3	Very high	96.6	Very high	26 Å²	26	49 Å²	49	17%	0.169	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-51	133.2	173.6	-25.6	34.7	0	0	0	111.6	V36 R99 L102	V36-P44 CarbonylContact O-C 3.48Å; V36-P44 WeakPolarHBondContact O-CA 3.4Å; V36-P44 WeakPolarHBondContact O-CB 3.4Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.2Å; P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.84Å
45	R	98.4	Very high	96.4	Very high	98 Å²	98	48.7 Å²	48.7	37%	0.37	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	130.1	173.3	-177	-179.1	-177.8	-172.7	-1.8	108.2	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.57Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.46Å; V36-R45 PolarHBondContact N-O 2.89Å; V36-R45 PolarHBondContact O-N 2.8Å; E43-R45 PolarHBondContact O-N 3.19Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; R45-D61 IonicContact CZ-OD1 2.6Å; R45-D61 IonicContact CZ-OD2 3.88Å; R45-D61 IonicContact NE-OD1 2.74Å; R45-D61 PolarHBondContact NE-OD1 2.94Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 3.12Å; R45-D61 IonicContact NH2-OD1 3.64Å; R45-D61 IonicContact NH2-OD2 3.77Å; R45-D61 PolarHBondContact NH2-OD2 2.79Å; R45-S62 WeakPolarHBondContact CA-OG 3.42Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact NE-OD2 2.91Å
46	F	98.8	Very high	96.3	Very high	2 Å²	2	51 Å²	51	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.2	177.2	175.8	-92.6	0	0	0	109.8	Y33 T34 A35 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.17Å; Y33-F46 HydrophobicContact CD2-CE2 4.29Å; Y33-F46 HydrophobicContact CD2-CZ 4.06Å; Y33-F46 HydrophobicContact CE2-CZ 4.48Å; Y33-F46 HydrophobicContact CG-CE2 4.1Å; Y33-F46 AromaticContact CG-CZ 3.87Å; Y33-F46 HydrophobicContact CG-CZ 3.87Å; T34-F46 WeakPolarHBondContact O-CA 3.3Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; F46-A48 HydrophobicContact CE1-CB 3.74Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; F46-F60 AromaticContact CD1-CD1 3.73Å; F46-F60 HydrophobicContact CD1-CD1 3.73Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.27Å; F46-S62 PolarHBondContact N-OG 3.17Å; F46-S62 PolarHBondContact O-N 3.2Å; F46-S62 PolarHBondContact O-OG 2.93Å; F46-Y91 HydrophobicContact CE1-CD1 4.42Å; F46-Q94 HydrophobicContact CE2-CB 4.26Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.94Å; F46-Q94 HydrophobicContact CZ-CG 3.77Å; F46-A95 HydrophobicContact CB-CB 3.68Å; F46-A95 HydrophobicContact CD1-CB 3.81Å; F46-A95 HydrophobicContact CD2-CB 4.17Å; F46-A95 HydrophobicContact CE1-CB 4.5Å; F46-A95 HydrophobicContact CG-CB 3.61Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.36Å; F46-D98 VanDerWaalsContact CE2-OD2 3.23Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.46Å
47	I	98.8	Very high	96.3	Very high	50 Å²	50	48.7 Å²	48.7	26%	0.256	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.7	175.7	-57.2	172.8	0	0	0	107.6	Y33 T34 R45 F60	Y33-I47 CarbonylContact C-O 3.54Å; Y33-I47 WeakPolarHBondContact CA-O 3.34Å; T34-I47 PolarHBondContact N-O 3.04Å; T34-I47 PolarHBondContact O-N 3.04Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; I47-F60 WeakPolarHBondContact CA-O 3.26Å
48	A	98.8	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137	172.2	0	0	0	0	0	110.1	F32 Y33 F46 Q59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.47Å; Y33-A48 HydrophobicContact CD1-CB 3.3Å; Y33-A48 HydrophobicContact CE1-CB 3.39Å; Y33-A48 HydrophobicContact CG-CB 4.33Å; F46-A48 HydrophobicContact CE1-CB 3.74Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; A48-Q59 CarbonylContact O-C 3.59Å; A48-Q59 VanDerWaalsContact O-CA 3.3Å; A48-Q59 WeakPolarHBondContact O-CA 3.39Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 3.25Å; A48-F60 PolarHBondContact O-N 3.35Å; A48-Y91 HydrophobicContact CB-CD1 3.63Å; A48-Y91 HydrophobicContact CB-CE1 3.67Å; A48-Y91 HydrophobicContact CB-CG 4.44Å
49	V	98.8	Very high	96.4	Very high	27 Å²	27	47 Å²	47	16%	0.164	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.6	172.2	-63.1	0	0	0	0	109.6	Y31 F32 Y51 Q56 V58 Q59	Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.46Å; F32-V49 HydrophobicContact CB-CG2 3.85Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.3Å; F32-V49 PolarHBondContact O-N 2.96Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.34Å; V49-V58 WeakPolarHBondContact CA-O 3.42Å; V49-Q59 HydrophobicContact CG1-CB 4.49Å; V49-Q59 HydrophobicContact CG1-CG 4.13Å
50	G	98.6	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.2	176.3	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.42Å; G50-Q56 WeakPolarHBondContact O-CA 2.94Å; G50-F57 WeakPolarHBondContact O-CD1 3.43Å; G50-F57 PolarHBondContact O-N 3.08Å; G50-V58 PolarHBondContact N-O 3.46Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 2.99Å
51	Y	98.4	Very high	97	Very high	67 Å²	67	41.7 Å²	41.7	26%	0.263	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.8	-179.5	-75.2	-103.2	0	0	0	110.2	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.42Å; R30-Y51 PolarHBondContact N-O 2.95Å; R30-Y51 PolarHBondContact O-N 3.06Å; F32-Y51 HydrophobicContact CD2-CD2 4.09Å; F32-Y51 HydrophobicContact CE2-CD2 4.1Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.84Å; Y51-T55 WeakPolarHBondContact CA-O 3.03Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Y51-Q56 PolarHBondContact OH-OE1 3.41Å
52	V	97.9	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.3	156	176.8	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 3.36Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; V52-D54 PolarHBondContact O-N 2.79Å; V52-T55 PolarHBondContact N-O 3.27Å; V52-T55 WeakPolarHBondContact O-CB 3.17Å; V52-T55 PolarHBondContact O-N 3.24Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.07Å; V52-W75 HydrophobicContact CB-CH2 4.41Å; V52-W75 HydrophobicContact CB-CZ2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 3.9Å; V52-Y195 HydrophobicContact CG2-CG 4.41Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å
53	D	94.8	Very high	97.6	Very high	29 Å²	29	34.2 Å²	34.2	16%	0.155	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-123.6	-167.1	-54.3	-40.2	0	0	0	110.4	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.4Å; H27-D53 IonicContact CE1-OD2 3.06Å; H27-D53 IonicContact CG-OD2 3.61Å; H27-D53 IonicContact ND1-OD1 2.66Å; H27-D53 IonicContact ND1-OD2 2.78Å; H27-D53 PolarHBondContact ND1-OD2 3.34Å; S28-D53 PolarHBondContact N-OD1 2.85Å; S28-D53 PolarHBondContact O-N 2.84Å; S28-D53 PolarHBondContact OG-OD1 2.88Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	94.1	Very high	97.7	Very high	56 Å²	56	31.6 Å²	31.6	30%	0.299	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	12.4	179.7	-61.2	-54.2	0	0	0	113.7	V52 Y233 P234 T235 F265	V52-D54 PolarHBondContact O-N 2.79Å; D54-Y233 HydrophobicContact CB-CE2 4.13Å; D54-P234 VanDerWaalsContact OD2-CB 3.31Å; D54-P234 WeakPolarHBondContact OD2-CB 3.48Å; D54-T235 VanDerWaalsContact CG-CG2 3.43Å; D54-T235 WeakPolarHBondContact OD1-CG2 3.46Å; D54-T235 WeakPolarHBondContact OD2-CB 3.42Å; D54-T235 VanDerWaalsContact OD2-CG2 3.28Å; D54-T235 WeakPolarHBondContact OD2-CG2 3.09Å; D54-T235 PolarHBondContact OD2-N 3.03Å; D54-F265 HydrophobicContact CB-CE2 3.81Å; D54-F265 HydrophobicContact CB-CZ 3.72Å
55	T	95.5	Very high	97.6	Very high	33 Å²	33	36 Å²	36	20%	0.202	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	112.9	-175.7	-58.2	0	0	0	0	112.1	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.03Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; V52-T55 PolarHBondContact N-O 3.27Å; V52-T55 WeakPolarHBondContact O-CB 3.17Å; V52-T55 PolarHBondContact O-N 3.24Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 3.09Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.46Å; T55-Y233 PolarHBondContact OG1-OH 3.11Å
56	Q	97	Very high	97.5	Very high	51 Å²	51	35 Å²	35	24%	0.238	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.2	174	-165.6	-178.2	-9.8	0	0	110.2	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.34Å; G50-Q56 WeakPolarHBondContact O-CA 2.94Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Y51-Q56 PolarHBondContact OH-OE1 3.41Å; Q56-V58 PolarHBondContact NE2-O 2.66Å; Q56-R72 HydrophobicContact CB-CB 4.48Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.38Å; Q56-R72 CarbonylContact O-C 3.57Å
57	F	97.9	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-20.3	179.4	75.4	-88.5	0	0	0	114.1	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.44Å; Y31-F57 AromaticContact CE1-CZ 3.98Å; Y31-F57 HydrophobicContact CE1-CZ 3.98Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.36Å; G50-F57 WeakPolarHBondContact O-CD1 3.43Å; G50-F57 PolarHBondContact O-N 3.08Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.07Å; T55-F57 PolarHBondContact O-N 3.09Å; F57-R72 PolarHBondContact O-N 2.89Å; F57-A73 HydrophobicContact CB-CB 4.08Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.92Å; F57-W75 AromaticContact CD1-CH2 3.97Å; F57-W75 HydrophobicContact CD1-CH2 3.97Å; F57-W75 AromaticContact CD2-CH2 3.97Å; F57-W75 HydrophobicContact CD2-CH2 3.97Å; F57-W75 HydrophobicContact CD2-CZ3 4.23Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.25Å; F57-V76 WeakPolarHBondContact O-CG1 3.03Å; F57-Y195 HydrophobicContact CE2-CD2 4.47Å; F57-Y195 AromaticContact CE2-CE2 3.78Å; F57-Y195 HydrophobicContact CE2-CE2 3.78Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.37Å; F57-Y195 AromaticContact CZ-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CE2 3.79Å
58	V	98.2	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.3	-180	64.9	0	0	0	0	112	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.03Å; V49-V58 WeakPolarHBondContact CA-O 3.42Å; G50-V58 PolarHBondContact N-O 3.46Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 2.99Å; Q56-V58 PolarHBondContact NE2-O 2.66Å; V58-E70 WeakPolarHBondContact CA-O 3Å; V58-W84 HydrophobicContact CG2-CZ3 4.05Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.35Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å
59	Q	98.2	Very high	97.3	Very high	53 Å²	53	41.4 Å²	41.4	25%	0.248	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	149.3	170.1	-174.4	170.8	20.5	0	0	111.3	A48 V49 E70 R72	A48-Q59 CarbonylContact O-C 3.59Å; A48-Q59 VanDerWaalsContact O-CA 3.3Å; A48-Q59 WeakPolarHBondContact O-CA 3.39Å; V49-Q59 HydrophobicContact CG1-CB 4.49Å; V49-Q59 HydrophobicContact CG1-CG 4.13Å; Q59-E70 PolarHBondContact N-O 3.45Å; Q59-E70 PolarHBondContact O-N 3.26Å; Q59-R72 HydrophobicContact CB-CG 3.91Å
60	F	98.8	Very high	97.2	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.013	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.9	165.8	175	-81	0	0	0	109.2	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.73Å; F46-F60 HydrophobicContact CD1-CD1 3.73Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.27Å; I47-F60 WeakPolarHBondContact CA-O 3.26Å; A48-F60 HydrophobicContact CB-CB 4.24Å; A48-F60 PolarHBondContact N-O 3.25Å; A48-F60 PolarHBondContact O-N 3.35Å; F60-P67 HydrophobicContact CE2-CB 3.84Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; F60-R68 VanDerWaalsContact CD2-C 3.5Å; F60-Y91 HydrophobicContact CB-CD1 4.44Å; F60-Y91 HydrophobicContact CB-CD2 3.6Å; F60-Y91 HydrophobicContact CB-CE2 4.07Å; F60-Y91 HydrophobicContact CB-CG 3.82Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.76Å; F60-Y91 HydrophobicContact CD2-CD2 3.76Å; F60-Y91 HydrophobicContact CD2-CG 4.02Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.84Å; F60-Y91 HydrophobicContact CG-CG 3.84Å; F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.02Å
61	D	98.6	Very high	97.2	Very high	30 Å²	30	45.4 Å²	45.4	16%	0.16	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	123.6	173.5	-171.1	-12.4	0	0	0	109.8	R45 D63 A64	R45-D61 IonicContact CZ-OD1 2.6Å; R45-D61 IonicContact CZ-OD2 3.88Å; R45-D61 IonicContact NE-OD1 2.74Å; R45-D61 PolarHBondContact NE-OD1 2.94Å; R45-D61 VanDerWaalsContact NE-OD1 3.12Å; R45-D61 IonicContact NE-OD2 3.12Å; R45-D61 IonicContact NH2-OD1 3.64Å; R45-D61 IonicContact NH2-OD2 3.77Å; R45-D61 PolarHBondContact NH2-OD2 2.79Å; D61-D63 PolarHBondContact O-N 2.86Å; D61-D63 PolarHBondContact OD1-N 2.93Å; D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.34Å; D61-A64 PolarHBondContact O-N 3.08Å
62	S	98.2	Very high	97.1	Very high	35 Å²	35	47.8 Å²	47.8	25%	0.245	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.6	178.8	68.2	0	0	0	0	113.6	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.42Å; F46-S62 PolarHBondContact N-OG 3.17Å; F46-S62 PolarHBondContact O-N 3.2Å; F46-S62 PolarHBondContact O-OG 2.93Å; S62-P67 WeakPolarHBondContact O-CG 3.34Å
63	D	97.4	Very high	97	Very high	69 Å²	69	48 Å²	48	37%	0.369	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-4.4	179.9	-78.5	3.9	0	0	0	112.9	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.35Å; R38-D63 IonicContact CZ-OD2 3.58Å; R38-D63 IonicContact NH1-OD1 3.65Å; R38-D63 PolarHBondContact NH1-OD1 3.03Å; R38-D63 IonicContact NH1-OD2 2.72Å; R38-D63 PolarHBondContact NH1-OD2 2.92Å; R38-D63 IonicContact NH2-OD1 3.46Å; R38-D63 PolarHBondContact NH2-OD1 2.93Å; R38-D63 IonicContact NH2-OD2 2.72Å; R45-D63 VanDerWaalsContact CD-OD2 3.29Å; R45-D63 WeakPolarHBondContact CD-OD2 3.32Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact NE-OD2 2.91Å; D61-D63 PolarHBondContact O-N 2.86Å; D61-D63 PolarHBondContact OD1-N 2.93Å
64	A	97.1	Very high	97.1	Very high	35 Å²	35	51.5 Å²	51.5	29%	0.289	29%	0.293	S	S	.	.	S	Bend	trans	-61.1	149.3	173.3	0	0	0	0	0	110.9	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.34Å; D61-A64 PolarHBondContact O-N 3.08Å; A64-S66 PolarHBondContact O-N 3.29Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.33Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.25Å
65	A	96.4	Very high	97.1	Very high	117 Å²	117	49.6 Å²	49.6	97%	0.967	28%	0.282	S	S	*	.	S	Bend	trans	-58.8	-31.1	180	0	0	0	0	0	113
66	S	95.6	Very high	97.2	Very high	79 Å²	79	48 Å²	48	55%	0.552	27%	0.272	S	S	*	.	S	Bend	trans	-134.8	89.2	171.6	-173.2	0	0	0	0	109.1	A64 R68	A64-S66 PolarHBondContact O-N 3.29Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 2.97Å; S66-R68 VanDerWaalsContact O-N 3.1Å
67	P	96.9	Very high	97.1	Very high	33 Å²	33	51.5 Å²	51.5	21%	0.214	29%	0.288	C	S	.	.			trans	-63.9	113.2	-175.2	-24.5	35.6	0	0	0	111.9	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.84Å; F60-P67 HydrophobicContact CZ-CB 3.65Å; S62-P67 WeakPolarHBondContact O-CG 3.34Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.33Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.25Å; P67-K92 WeakPolarHBondContact O-CE 3.48Å; P67-K92 PolarHBondContact O-NZ 2.75Å; P67-K92 VanDerWaalsContact O-NZ 3.14Å
68	R	97.6	Very high	96.9	Very high	148 Å²	148	57.4 Å²	57.4	56%	0.558	32%	0.316	S	S	*	.			trans	-147.5	159	177.7	63.8	-176.2	174.1	175.9	0.1	110.5	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.5Å; S66-R68 PolarHBondContact O-N 2.97Å; S66-R68 VanDerWaalsContact O-N 3.1Å; R68-E70 HydrophobicContact CG-CG 4.22Å; R68-E70 PolarHBondContact O-N 3.11Å; R68-T88 HydrophobicContact CB-CG2 4.2Å
69	G	97.2	Very high	96.9	Very high	5 Å²	5	58 Å²	58	5%	0.052	32%	0.318	C	S	.	.			trans	-65.3	128.9	168.2	0	0	0	0	0	109.4	T88	G69-T88 PolarHBondContact N-OG1 3.36Å
70	E	97.6	Very high	96.7	Very high	63 Å²	63	57.1 Å²	57.1	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.7	-179.2	-63.9	-176.1	155.3	0	0	109.8	V58 Q59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3Å; Q59-E70 PolarHBondContact N-O 3.45Å; Q59-E70 PolarHBondContact O-N 3.26Å; R68-E70 HydrophobicContact CG-CG 4.22Å; R68-E70 PolarHBondContact O-N 3.11Å; E70-R72 IonicContact OE2-CZ 3.71Å; E70-R72 IonicContact OE2-NH2 2.62Å; E70-R72 PolarHBondContact OE2-NH2 2.96Å
71	P	97.8	Very high	96.6	Very high	47 Å²	47	61.6 Å²	61.6	31%	0.305	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	142.9	173.7	28.4	-33.7	0	0	0	110.6	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.78Å; P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.93Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.77Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.22Å
72	R	97.1	Very high	96.6	Very high	118 Å²	118	68.1 Å²	68.1	45%	0.445	38%	0.383	S	S	.	.			trans	-124.6	-0	174.8	-61.4	-64.4	176.6	-166.9	-7	113.1	Q56 F57 Q59 E70	Q56-R72 HydrophobicContact CB-CB 4.48Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.38Å; Q56-R72 CarbonylContact O-C 3.57Å; F57-R72 PolarHBondContact O-N 2.89Å; Q59-R72 HydrophobicContact CB-CG 3.91Å; E70-R72 IonicContact OE2-CZ 3.71Å; E70-R72 IonicContact OE2-NH2 2.62Å; E70-R72 PolarHBondContact OE2-NH2 2.96Å
73	A	95.6	Very high	96.5	Very high	4 Å²	4	66.8 Å²	66.8	3%	0.033	37%	0.373	C	S	.	.	S	Bend	trans	-137.5	143.1	173	0	0	0	0	0	111	F57 W75 V76	F57-A73 HydrophobicContact CB-CB 4.08Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 2.98Å; A73-V76 VanDerWaalsContact O-CG1 3.24Å; A73-V76 WeakPolarHBondContact O-CG1 2.76Å; A73-V76 PolarHBondContact O-N 2.03Å
74	P	95.8	Very high	96.5	Very high	103 Å²	103	65.3 Å²	65.3	67%	0.669	36%	0.362	S	S	*	.	H	α-helix	trans	-58.2	-37.2	-177.5	-26.9	35.1	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 2.8Å; P74-E77 WeakPolarHBondContact O-CB 3.09Å; P74-E77 PolarHBondContact O-N 2.95Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75	W	95.6	Very high	96.6	Very high	15 Å²	15	68.7 Å²	68.7	6%	0.057	38%	0.375	C	S	.	.	H	α-helix	trans	-70	-13.7	-175.9	53.2	-106.7	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.41Å; V52-W75 HydrophobicContact CB-CZ2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.89Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.92Å; F57-W75 AromaticContact CD1-CH2 3.97Å; F57-W75 HydrophobicContact CD1-CH2 3.97Å; F57-W75 AromaticContact CD2-CH2 3.97Å; F57-W75 HydrophobicContact CD2-CH2 3.97Å; F57-W75 HydrophobicContact CD2-CZ3 4.23Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.96Å; A73-W75 PolarHBondContact O-N 2.98Å; W75-Q78 WeakPolarHBondContact O-CG 3.36Å; W75-Y195 HydrophobicContact CE3-CD1 4.31Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.13Å; W75-Y195 AromaticContact CZ3-CD1 3.63Å; W75-Y195 HydrophobicContact CZ3-CD1 3.63Å; W75-Y195 HydrophobicContact CZ3-CD2 4.29Å; W75-Y195 HydrophobicContact CZ3-CE1 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; W75-N198 HydrophobicContact CB-CB 4.42Å; W75-T202 VanDerWaalsContact CD1-OG1 3.25Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.41Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.19Å; W75-L203 HydrophobicContact CZ2-CG 4.44Å
76	V	97	Very high	96.6	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-95.1	-15.3	172.8	73.6	0	0	0	0	112.2	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.25Å; F57-V76 WeakPolarHBondContact O-CG1 3.03Å; P71-V76 HydrophobicContact CB-CG1 3.78Å; A73-V76 VanDerWaalsContact O-CG1 3.24Å; A73-V76 WeakPolarHBondContact O-CG1 2.76Å; A73-V76 PolarHBondContact O-N 2.03Å; P74-V76 PolarHBondContact O-N 2.8Å; V76-Q78 PolarHBondContact O-N 2.9Å; V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 WeakPolarHBondContact O-CB 3.35Å; V76-E79 WeakPolarHBondContact O-CG 3.47Å; V76-E79 PolarHBondContact O-N 2.83Å; V76-Y83 HydrophobicContact CG2-CE1 4.14Å; V76-W84 HydrophobicContact CG1-CH2 4.05Å; V76-W84 HydrophobicContact CG1-CZ2 4.24Å; V76-W84 HydrophobicContact CG2-CH2 4.05Å; V76-W84 HydrophobicContact CG2-CZ2 4.05Å; V76-W84 WeakPolarHBondContact O-CZ2 3.43Å; V76-Y195 HydrophobicContact CG2-CE1 4.42Å
77	E	95.3	Very high	96.7	Very high	124 Å²	124	64.6 Å²	64.6	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-63.2	-25.6	179.6	-65.4	-177.8	-176.7	0	0	112.7	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.93Å; P74-E77 WeakPolarHBondContact O-CB 3.09Å; P74-E77 PolarHBondContact O-N 2.95Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 3.26Å
78	Q	94.3	Very high	96.7	Very high	124 Å²	124	63.5 Å²	63.5	58%	0.579	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-12	175.5	67.5	-178.9	11.8	0	0	114	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.36Å; V76-Q78 PolarHBondContact O-N 2.9Å; Q78-N198 VanDerWaalsContact NE2-CB 3.27Å; Q78-N198 PolarHBondContact NE2-ND2 2.86Å; Q78-N198 PolarHBondContact NE2-OD1 2.86Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.13Å
79	E	96.4	Very high	96.8	Very high	12 Å²	12	61.3 Å²	61.3	6%	0.056	31%	0.312	C	S	.	.	S	Bend	trans	-65.5	136	174.9	-66.4	-61.3	159.8	0	0	110.9	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 WeakPolarHBondContact O-CB 3.35Å; V76-E79 WeakPolarHBondContact O-CG 3.47Å; V76-E79 PolarHBondContact O-N 2.83Å; E77-E79 PolarHBondContact O-N 3.26Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CD2 4.48Å; E79-Y83 HydrophobicContact CG-CE1 4.27Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 2.92Å; E79-W84 VanDerWaalsContact O-NE1 3.09Å; E79-R194 IonicContact OE1-CZ 3.43Å; E79-R194 IonicContact OE1-NE 3.49Å; E79-R194 PolarHBondContact OE1-NE 2.78Å; E79-R194 IonicContact OE1-NH2 2.76Å; E79-R194 PolarHBondContact OE1-NH2 2.85Å; E79-R194 VanDerWaalsContact OE1-NH2 3.17Å; E79-R194 IonicContact OE2-CZ 3.71Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 IonicContact OE2-NH2 2.76Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å; E79-N198 PolarHBondContact OE1-ND2 3.3Å
80	G	95.4	Very high	96.8	Very high	35 Å²	35	63.7 Å²	63.7	36%	0.361	32%	0.32	S	S	.	.			trans	-69.8	169	-174.1	0	0	0	0	0	114.2	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.79Å; G80-Y83 WeakPolarHBondContact O-CB 3.49Å; G80-Y83 PolarHBondContact O-N 2.81Å; G80-W84 PolarHBondContact O-N 2.96Å
81	P	96.4	Very high	96.8	Very high	98 Å²	98	60.7 Å²	60.7	64%	0.636	31%	0.306	S	S	*	.	H	α-helix	trans	-57.8	-34.3	-179.1	23	-33.6	0	0	0	113.1	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.88Å; P81-W84 PolarHBondContact O-N 2.99Å; P81-D85 WeakPolarHBondContact O-CB 3.33Å; P81-D85 PolarHBondContact O-N 3.36Å
82	E	97.2	Very high	96.8	Very high	166 Å²	166	62.5 Å²	62.5	78%	0.776	31%	0.309	S	S	*	.	H	α-helix	trans	-60.7	-36.1	177.7	-63.2	-178.7	178.3	0	0	112.9	G80 R86	G80-E82 PolarHBondContact O-N 2.79Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 PolarHBondContact O-N 3.15Å
83	Y	97.1	Very high	96.9	Very high	8 Å²	8	64.7 Å²	64.7	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-52.3	174.5	169.1	-92.5	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.06Å; E79-Y83 HydrophobicContact CG-CD2 4.48Å; E79-Y83 HydrophobicContact CG-CE1 4.27Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.49Å; G80-Y83 PolarHBondContact O-N 2.81Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.88Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.83Å; Y83-R86 PolarHBondContact O-N 3.09Å; Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.15Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.74Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CG 3.1Å; Y83-E87 PolarHBondContact O-N 2.97Å; Y83-W191 AromaticContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CZ2 4.31Å; Y83-W191 AromaticContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CE2-CE3 4.27Å; Y83-W191 AromaticContact CE2-CH2 3.94Å; Y83-W191 HydrophobicContact CE2-CH2 3.94Å; Y83-W191 AromaticContact CE2-CZ3 3.76Å; Y83-W191 HydrophobicContact CE2-CZ3 3.76Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.17Å; Y83-Y195 PolarHBondContact OH-OH 3.01Å
84	W	97.8	Very high	97	Very high	38 Å²	38	66 Å²	66	14%	0.144	32%	0.323	C	S	.	.	H	α-helix	trans	-63.9	-38.4	-177.8	-67.6	111.8	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.05Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.77Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.22Å; V76-W84 HydrophobicContact CG1-CH2 4.05Å; V76-W84 HydrophobicContact CG1-CZ2 4.24Å; V76-W84 HydrophobicContact CG2-CH2 4.05Å; V76-W84 HydrophobicContact CG2-CZ2 4.05Å; V76-W84 WeakPolarHBondContact O-CZ2 3.43Å; E79-W84 PolarHBondContact O-NE1 2.92Å; E79-W84 VanDerWaalsContact O-NE1 3.09Å; G80-W84 PolarHBondContact O-N 2.96Å; P81-W84 PolarHBondContact O-N 2.99Å; W84-T88 WeakPolarHBondContact O-CB 3.17Å; W84-T88 PolarHBondContact O-N 3.47Å; W84-T88 PolarHBondContact O-OG1 2.69Å
85	D	97.8	Very high	97.2	Very high	106 Å²	106	62 Å²	62	57%	0.567	30%	0.299	S	S	*	.	H	α-helix	trans	-64.4	-47.4	174.5	-76.4	-22.4	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.33Å; P81-D85 PolarHBondContact O-N 3.36Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.83Å; D85-T88 PolarHBondContact O-N 3.35Å; D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.44Å; D85-Q89 PolarHBondContact O-N 3.04Å
86	R	97.2	Very high	97.3	Very high	104 Å²	104	66.4 Å²	66.4	39%	0.392	32%	0.32	S	S	.	.	H	α-helix	trans	-61.7	-48	178.7	-174.6	-177	67.1	-151.5	-5.3	112	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 PolarHBondContact O-N 3.15Å; Y83-R86 PolarHBondContact O-N 3.09Å; R86-Q89 PolarHBondContact O-N 3.13Å; R86-K90 WeakPolarHBondContact O-CG 3.2Å; R86-K90 PolarHBondContact O-N 2.82Å
87	E	97.1	Very high	97.3	Very high	5 Å²	5	69.9 Å²	69.9	2%	0.023	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-41.3	179.1	-65.7	-47.3	119	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.4Å; Y83-E87 HydrophobicContact CD2-CG 4.15Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.74Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CG 3.1Å; Y83-E87 PolarHBondContact O-N 2.97Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.39Å; E87-K90 WeakPolarHBondContact O-CB 3.43Å; E87-K90 PolarHBondContact O-N 3.34Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 WeakPolarHBondContact OE1-CE 3.41Å; E87-K90 IonicContact OE1-NZ 3.83Å; E87-K90 PolarHBondContact OE1-NZ 3.19Å; E87-K90 IonicContact OE2-NZ 2.75Å; E87-Y91 HydrophobicContact CB-CE2 4.08Å; E87-Y91 WeakPolarHBondContact O-CD2 3.37Å; E87-Y91 PolarHBondContact O-N 2.94Å
88	T	98.3	Very high	97.5	Very high	11 Å²	11	64.3 Å²	64.3	7%	0.067	32%	0.316	C	S	.	.	H	α-helix	trans	-57.6	-43.9	173.5	-64.9	0	0	0	0	112	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.2Å; G69-T88 PolarHBondContact N-OG1 3.36Å; W84-T88 WeakPolarHBondContact O-CB 3.17Å; W84-T88 PolarHBondContact O-N 3.47Å; W84-T88 PolarHBondContact O-OG1 2.69Å; D85-T88 PolarHBondContact O-N 3.35Å; T88-Y91 PolarHBondContact O-N 3.28Å; T88-K92 HydrophobicContact CG2-CD 4.13Å; T88-K92 WeakPolarHBondContact O-CG 3.19Å; T88-K92 PolarHBondContact O-N 2.92Å
89	Q	98.2	Very high	97.6	Very high	102 Å²	102	61.3 Å²	61.3	48%	0.477	30%	0.299	S	S	.	.	H	α-helix	trans	-68.5	-35.2	177.2	-66.6	-55.9	-31.6	0	0	112.5	D85 R86 E87 K92 R93	D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.44Å; D85-Q89 PolarHBondContact O-N 3.04Å; R86-Q89 PolarHBondContact O-N 3.13Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.39Å; Q89-K92 PolarHBondContact O-N 2.78Å; Q89-R93 WeakPolarHBondContact O-CB 3.44Å; Q89-R93 WeakPolarHBondContact O-CG 3.4Å; Q89-R93 PolarHBondContact O-N 2.66Å
90	K	97.3	Very high	97.7	Very high	54 Å²	54	64.2 Å²	64.2	24%	0.235	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-50.7	171.9	-74.1	175	178.1	174.6	0	110.8	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.2Å; R86-K90 PolarHBondContact O-N 2.82Å; E87-K90 WeakPolarHBondContact O-CB 3.43Å; E87-K90 PolarHBondContact O-N 3.34Å; E87-K90 VanDerWaalsContact O-N 3.13Å; E87-K90 WeakPolarHBondContact OE1-CE 3.41Å; E87-K90 IonicContact OE1-NZ 3.83Å; E87-K90 PolarHBondContact OE1-NZ 3.19Å; E87-K90 IonicContact OE2-NZ 2.75Å; K90-K92 PolarHBondContact O-N 2.83Å; K90-R93 PolarHBondContact O-N 3.37Å; K90-Q94 PolarHBondContact O-N 2.93Å
91	Y	98.5	Very high	97.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-42.5	178.1	-62.2	-48.4	0	0	0	112.7	Y33 F46 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.15Å; Y33-Y91 AromaticContact CE1-CE1 3.81Å; Y33-Y91 HydrophobicContact CE1-CE1 3.81Å; Y33-Y91 AromaticContact CZ-CE1 3.95Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.32Å; F46-Y91 HydrophobicContact CE1-CD1 4.42Å; A48-Y91 HydrophobicContact CB-CD1 3.63Å; A48-Y91 HydrophobicContact CB-CE1 3.67Å; A48-Y91 HydrophobicContact CB-CG 4.44Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.35Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å; F60-Y91 HydrophobicContact CB-CD1 4.44Å; F60-Y91 HydrophobicContact CB-CD2 3.6Å; F60-Y91 HydrophobicContact CB-CE2 4.07Å; F60-Y91 HydrophobicContact CB-CG 3.82Å; F60-Y91 HydrophobicContact CD1-CG 4.41Å; F60-Y91 AromaticContact CD2-CD2 3.76Å; F60-Y91 HydrophobicContact CD2-CD2 3.76Å; F60-Y91 HydrophobicContact CD2-CG 4.02Å; F60-Y91 AromaticContact CG-CD2 3.84Å; F60-Y91 HydrophobicContact CG-CD2 3.84Å; F60-Y91 AromaticContact CG-CG 3.84Å; F60-Y91 HydrophobicContact CG-CG 3.84Å; E87-Y91 HydrophobicContact CB-CE2 4.08Å; E87-Y91 WeakPolarHBondContact O-CD2 3.37Å; E87-Y91 PolarHBondContact O-N 2.94Å; T88-Y91 PolarHBondContact O-N 3.28Å; Y91-R93 PolarHBondContact O-N 2.97Å; Y91-Q94 PolarHBondContact O-N 3.28Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 2.85Å
92	K	98.3	Very high	97.9	Very high	85 Å²	85	60.1 Å²	60.1	37%	0.37	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-40.9	176.7	-74.8	177.4	178.3	173.1	0	112.6	F60 P67 T88 Q89 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.02Å; P67-K92 WeakPolarHBondContact O-CE 3.48Å; P67-K92 PolarHBondContact O-NZ 2.75Å; P67-K92 VanDerWaalsContact O-NZ 3.14Å; T88-K92 HydrophobicContact CG2-CD 4.13Å; T88-K92 WeakPolarHBondContact O-CG 3.19Å; T88-K92 PolarHBondContact O-N 2.92Å; Q89-K92 PolarHBondContact O-N 2.78Å; K90-K92 PolarHBondContact O-N 2.83Å; K92-Q96 PolarHBondContact O-N 3.17Å
93	R	98.3	Very high	97.9	Very high	164 Å²	164	58.2 Å²	58.2	62%	0.619	27%	0.27	S	S	*	.	H	α-helix	trans	-66.9	-40.3	174.9	-74.1	-172.8	-64.4	-173.1	2.7	111.9	Q89 K90 Y91 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.44Å; Q89-R93 WeakPolarHBondContact O-CG 3.4Å; Q89-R93 PolarHBondContact O-N 2.66Å; K90-R93 PolarHBondContact O-N 3.37Å; Y91-R93 PolarHBondContact O-N 2.97Å; R93-Q96 PolarHBondContact O-N 3.29Å; R93-T97 PolarHBondContact O-N 2.68Å; R93-T97 PolarHBondContact O-OG1 2.94Å
94	Q	98.3	Very high	98	Very high	33 Å²	33	61.2 Å²	61.2	15%	0.154	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-43.6	176	-171.2	65.2	53.2	0	0	111.4	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.63Å; Y33-Q94 HydrophobicContact CE2-CB 4.4Å; Y33-Q94 HydrophobicContact CE2-CG 3.71Å; F46-Q94 HydrophobicContact CE2-CB 4.26Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.94Å; F46-Q94 HydrophobicContact CZ-CG 3.77Å; K90-Q94 PolarHBondContact O-N 2.93Å; Y91-Q94 PolarHBondContact O-N 3.28Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.89Å; Q94-T97 CarbonylContact O-C 3.48Å; Q94-T97 WeakPolarHBondContact O-CA 3.4Å; Q94-T97 WeakPolarHBondContact O-CB 3.33Å; Q94-T97 PolarHBondContact O-N 2.95Å; Q94-D98 PolarHBondContact NE2-OD1 3.37Å; Q94-D98 PolarHBondContact O-N 3.45Å
95	A	98.3	Very high	98	Very high	19 Å²	19	59.7 Å²	59.7	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-57.2	-39.9	176.5	0	0	0	0	0	112.6	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.68Å; F46-A95 HydrophobicContact CD1-CB 3.81Å; F46-A95 HydrophobicContact CD2-CB 4.17Å; F46-A95 HydrophobicContact CE1-CB 4.5Å; F46-A95 HydrophobicContact CG-CB 3.61Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 2.85Å; A95-R99 WeakPolarHBondContact O-CB 3.5Å; A95-R99 PolarHBondContact O-N 3.39Å
96	Q	98	Very high	98	Very high	106 Å²	106	57.6 Å²	57.6	50%	0.495	27%	0.266	S	S	.	.	H	α-helix	trans	-68.8	-37.9	174	-65.1	-54.3	-43.4	0	0	112.4	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.17Å; R93-Q96 PolarHBondContact O-N 3.29Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 2.89Å; Q96-R99 WeakPolarHBondContact O-CB 3.16Å; Q96-R99 PolarHBondContact O-N 3.25Å; Q96-V100 WeakPolarHBondContact O-CG2 3.49Å; Q96-V100 PolarHBondContact O-N 3.49Å
97	T	98.1	Very high	98	Very high	73 Å²	73	54.7 Å²	54.7	45%	0.448	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-48.5	176	-57.2	0	0	0	0	110.6	R93 Q94 R99 V100 S101	R93-T97 PolarHBondContact O-N 2.68Å; R93-T97 PolarHBondContact O-OG1 2.94Å; Q94-T97 CarbonylContact O-C 3.48Å; Q94-T97 WeakPolarHBondContact O-CA 3.4Å; Q94-T97 WeakPolarHBondContact O-CB 3.33Å; Q94-T97 PolarHBondContact O-N 2.95Å; T97-R99 VanDerWaalsContact C-N 3.31Å; T97-R99 PolarHBondContact O-N 3.41Å; T97-V100 PolarHBondContact O-N 2.94Å; T97-S101 PolarHBondContact O-N 3.46Å; T97-S101 PolarHBondContact O-OG 3.29Å; T97-S101 VanDerWaalsContact O-OG 3.13Å
98	D	98.2	Very high	98	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-34.8	-179.7	-73	1	0	0	0	112.2	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.67Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.36Å; F46-D98 VanDerWaalsContact CE2-OD2 3.23Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.46Å; Q94-D98 PolarHBondContact NE2-OD1 3.37Å; Q94-D98 PolarHBondContact O-N 3.45Å; D98-V100 VanDerWaalsContact C-N 3.32Å; D98-V100 PolarHBondContact O-N 2.86Å; D98-S101 PolarHBondContact O-N 3.39Å; D98-L102 WeakPolarHBondContact O-CB 3.39Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.33Å; D98-L102 PolarHBondContact O-N 3.03Å; D98-L119 HydrophobicContact CB-CD2 4.15Å
99	R	97.9	Very high	98	Very high	61 Å²	61	59.8 Å²	59.8	23%	0.23	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-43.7	170.9	176.2	-171.3	-178.7	-161.2	2.3	112	E43 P44 A95 Q96 T97 R103	E43-R99 VanDerWaalsContact CD-NE 3.3Å; E43-R99 IonicContact OE1-CZ 3.05Å; E43-R99 VanDerWaalsContact OE1-CZ 3.25Å; E43-R99 IonicContact OE1-NE 3.78Å; E43-R99 IonicContact OE1-NH2 3.43Å; E43-R99 PolarHBondContact OE1-NH2 2.92Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 3.32Å; E43-R99 IonicContact OE2-NE 3.65Å; E43-R99 PolarHBondContact OE2-NE 3.42Å; E43-R99 IonicContact OE2-NH2 3.74Å; E43-R99 PolarHBondContact OE2-NH2 3.34Å; E43-R99 VanDerWaalsContact OE2-NH2 3.15Å; P44-R99 HydrophobicContact CG-CB 4.38Å; P44-R99 HydrophobicContact CG-CG 4.2Å; A95-R99 WeakPolarHBondContact O-CB 3.5Å; A95-R99 PolarHBondContact O-N 3.39Å; Q96-R99 WeakPolarHBondContact O-CB 3.16Å; Q96-R99 PolarHBondContact O-N 3.25Å; T97-R99 VanDerWaalsContact C-N 3.31Å; T97-R99 PolarHBondContact O-N 3.41Å; R99-R103 VanDerWaalsContact CZ-NH2 3.34Å; R99-R103 PolarHBondContact O-N 3.04Å
100	V	97.9	Very high	98	Very high	74 Å²	74	62.2 Å²	62.2	45%	0.448	30%	0.303	S	S	.	.	H	α-helix	trans	-70.1	-42.3	176.5	175.1	0	0	0	0	110.4	Q96 T97 D98 L102 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.49Å; Q96-V100 PolarHBondContact O-N 3.49Å; T97-V100 PolarHBondContact O-N 2.94Å; D98-V100 VanDerWaalsContact C-N 3.32Å; D98-V100 PolarHBondContact O-N 2.86Å; V100-L102 PolarHBondContact O-N 2.95Å; V100-R103 WeakPolarHBondContact O-CB 3.39Å; V100-R103 PolarHBondContact O-N 3.43Å; V100-R103 VanDerWaalsContact O-N 3.16Å; V100-N104 PolarHBondContact O-N 3.33Å
101	S	98.2	Very high	98	Very high	38 Å²	38	62.5 Å²	62.5	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-45.1	176.7	-63.5	0	0	0	0	112.1	T97 D98 R103 N104 L105	T97-S101 PolarHBondContact O-N 3.46Å; T97-S101 PolarHBondContact O-OG 3.29Å; T97-S101 VanDerWaalsContact O-OG 3.13Å; D98-S101 PolarHBondContact O-N 3.39Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.98Å; S101-N104 PolarHBondContact O-N 2.94Å; S101-N104 VanDerWaalsContact O-N 3.13Å; S101-L105 WeakPolarHBondContact O-CB 3.26Å; S101-L105 WeakPolarHBondContact O-CD1 3.36Å; S101-L105 VanDerWaalsContact O-CG 3.22Å; S101-L105 WeakPolarHBondContact O-CG 3.49Å; S101-L105 PolarHBondContact O-N 3.47Å
102	L	98.4	Very high	97.8	Very high	8 Å²	8	66.3 Å²	66.3	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-39.9	175.5	-77.7	166.8	0	0	0	112.3	A35 P44 D98 V100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.89Å; P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.84Å; D98-L102 WeakPolarHBondContact O-CB 3.39Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.33Å; D98-L102 PolarHBondContact O-N 3.03Å; V100-L102 PolarHBondContact O-N 2.95Å; L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.17Å; L102-R106 PolarHBondContact O-N 3.47Å; L102-R106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; L102-L119 HydrophobicContact CD2-CB 3.68Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L102-Y142 HydrophobicContact CD2-CE2 4.05Å
103	R	97.1	Very high	97.5	Very high	126 Å²	126	68.6 Å²	68.6	48%	0.475	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-42.5	175.6	-67.6	176.8	-172.8	170.7	0.9	112	R99 V100 S101 G107	R99-R103 VanDerWaalsContact CZ-NH2 3.34Å; R99-R103 PolarHBondContact O-N 3.04Å; V100-R103 WeakPolarHBondContact O-CB 3.39Å; V100-R103 PolarHBondContact O-N 3.43Å; V100-R103 VanDerWaalsContact O-N 3.16Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.98Å; R103-G107 PolarHBondContact O-N 3.04Å; R103-G107 VanDerWaalsContact O-N 3.16Å
104	N	97.8	Very high	97.3	Very high	71 Å²	71	64.6 Å²	64.6	38%	0.38	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-47.5	178.5	-69.4	-21.2	0	0	0	111.3	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 3.33Å; S101-N104 PolarHBondContact O-N 2.94Å; S101-N104 VanDerWaalsContact O-N 3.13Å; N104-G107 CarbonylContact O-C 3.55Å; N104-G107 WeakPolarHBondContact O-CA 3.3Å; N104-G107 PolarHBondContact O-N 3.48Å; N104-G107 VanDerWaalsContact O-N 3.09Å; N104-Y108 HydrophobicContact CB-CE2 4.43Å; N104-Y108 WeakPolarHBondContact O-CD1 3.45Å; N104-Y108 VanDerWaalsContact O-CG 3.3Å; N104-Y108 PolarHBondContact O-N 3.29Å
105	L	98.3	Very high	97.1	Very high	7 Å²	7	64.2 Å²	64.2	4%	0.037	35%	0.351	C	S	.	.	H	α-helix	trans	-59.3	-48.9	179.1	-71.4	164.2	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.26Å; S101-L105 WeakPolarHBondContact O-CD1 3.36Å; S101-L105 VanDerWaalsContact O-CG 3.22Å; S101-L105 WeakPolarHBondContact O-CG 3.49Å; S101-L105 PolarHBondContact O-N 3.47Å; L105-G107 PolarHBondContact O-N 2.93Å; L105-Y108 PolarHBondContact O-N 2.89Å; L105-Y108 VanDerWaalsContact O-N 3.07Å; L105-Y109 HydrophobicContact CD2-CE2 4.21Å; L105-Y109 WeakPolarHBondContact O-CD2 3.45Å; L105-Y109 PolarHBondContact O-N 3.11Å; L105-L119 HydrophobicContact CD1-CD1 3.87Å; L105-L119 HydrophobicContact CD1-CD2 4.22Å; L105-L119 HydrophobicContact CD1-CG 4.49Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.11Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.91Å; L105-Y142 HydrophobicContact CD1-CG 4.09Å; L105-Y142 HydrophobicContact CD2-CG 4.49Å; L105-Y142 HydrophobicContact CG-CD2 4.33Å; L105-Y142 HydrophobicContact CG-CE2 4.41Å; L105-Y147 HydrophobicContact CD2-CD1 4.37Å; L105-Y147 HydrophobicContact CD2-CD2 3.96Å; L105-Y147 HydrophobicContact CD2-CE1 3.83Å; L105-Y147 HydrophobicContact CD2-CE2 3.33Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.17Å
106	R	97.4	Very high	97	Very high	62 Å²	62	66.9 Å²	66.9	23%	0.234	37%	0.369	C	S	.	.	H	α-helix	trans	-52.7	-42.2	173.7	-173.3	-172.4	66.4	176.3	10.5	112	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.17Å; L102-R106 PolarHBondContact O-N 3.47Å; L102-R106 VanDerWaalsContact O-N 3.08Å; R106-N110 PolarHBondContact O-N 2.85Å; R106-N110 VanDerWaalsContact O-N 3.16Å; R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.35Å; R106-Q111 PolarHBondContact O-N 3.3Å; R106-E113 IonicContact CZ-OE1 3.08Å; R106-E113 IonicContact NH1-OE1 3.15Å; R106-E113 IonicContact NH2-OE1 3.25Å; R106-E113 PolarHBondContact NH2-OE1 3.47Å
107	G	97.5	Very high	97.1	Very high	43 Å²	43	62.7 Å²	62.7	44%	0.443	35%	0.349	S	S	.	.	H	α-helix	trans	-65.5	-47.1	175.3	0	0	0	0	0	113.3	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.04Å; R103-G107 VanDerWaalsContact O-N 3.16Å; N104-G107 CarbonylContact O-C 3.55Å; N104-G107 WeakPolarHBondContact O-CA 3.3Å; N104-G107 PolarHBondContact O-N 3.48Å; N104-G107 VanDerWaalsContact O-N 3.09Å; L105-G107 PolarHBondContact O-N 2.93Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.17Å; G107-N110 PolarHBondContact O-N 2.66Å; G107-N110 VanDerWaalsContact O-N 3.1Å; G107-N110 PolarHBondContact O-OD1 2.83Å
108	Y	98.1	Very high	97.1	Very high	57 Å²	57	61 Å²	61	22%	0.224	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-36	179.4	-61.7	-18.1	0	0	0	112.6	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.43Å; N104-Y108 WeakPolarHBondContact O-CD1 3.45Å; N104-Y108 VanDerWaalsContact O-CG 3.3Å; N104-Y108 PolarHBondContact O-N 3.29Å; L105-Y108 PolarHBondContact O-N 2.89Å; L105-Y108 VanDerWaalsContact O-N 3.07Å; Y108-I166 HydrophobicContact CD1-CD1 4.08Å; Y108-I166 HydrophobicContact CE1-CD1 4.38Å; Y108-I166 HydrophobicContact CE1-CG2 4.08Å; Y108-I166 HydrophobicContact CE2-CB 4.3Å; Y108-I166 HydrophobicContact CE2-CG2 4.17Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; Y108-K170 PolarHBondContact OH-NZ 2.86Å
109	Y	98.1	Very high	97.1	Very high	66 Å²	66	61.1 Å²	61.1	26%	0.259	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	3.8	178.1	-68.9	-70	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.21Å; L105-Y109 WeakPolarHBondContact O-CD2 3.45Å; L105-Y109 PolarHBondContact O-N 3.11Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.17Å; Y109-Q111 PolarHBondContact O-N 3.07Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.54Å; Y109-Y142 HydrophobicContact CD2-CE1 3.54Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.45Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.42Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.32Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.98Å; Y109-D161 PolarHBondContact OH-OD2 2.81Å; Y109-A163 HydrophobicContact CD1-CB 4.16Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.92Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	97.2	Very high	97.2	Very high	153 Å²	153	62 Å²	62	82%	0.818	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.5	-177.4	-57.4	-59.3	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 2.85Å; R106-N110 VanDerWaalsContact O-N 3.16Å; G107-N110 PolarHBondContact O-N 2.66Å; G107-N110 VanDerWaalsContact O-N 3.1Å; G107-N110 PolarHBondContact O-OD1 2.83Å
111	Q	97.4	Very high	97.2	Very high	59 Å²	59	59.6 Å²	59.6	28%	0.276	33%	0.329	S	S	.	.			trans	-86.5	152.3	-176.6	-70.6	169.5	-32.7	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.35Å; R106-Q111 PolarHBondContact O-N 3.3Å; Y109-Q111 PolarHBondContact O-N 3.07Å; Q111-H117 PolarHBondContact NE2-CE1 3.44Å; Q111-H117 PolarHBondContact OE1-CE1 2.86Å; Q111-H117 PolarHBondContact OE1-ND1 3.29Å; Q111-Y142 PolarHBondContact OE1-OH 3.36Å; Q111-D143 PolarHBondContact NE2-OD2 3.35Å
112	S	95.5	Very high	97.2	Very high	81 Å²	81	58.8 Å²	58.8	57%	0.566	32%	0.321	S	S	*	.			trans	-67.1	147.4	178.8	175.6	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 3.16Å; S112-A114 PolarHBondContact OG-N 2.82Å; S112-G115 PolarHBondContact O-N 3.06Å
113	E	92.7	Very high	97.2	Very high	132 Å²	132	59.2 Å²	59.2	62%	0.617	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-20	174.8	-55.4	-153.2	127.5	0	0	114	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.38Å; P39-E113 WeakPolarHBondContact CG-O 3.19Å; R106-E113 IonicContact CZ-OE1 3.08Å; R106-E113 IonicContact NH1-OE1 3.15Å; R106-E113 IonicContact NH2-OE1 3.25Å; R106-E113 PolarHBondContact NH2-OE1 3.47Å; E113-G115 VanDerWaalsContact C-N 3.28Å
114	A	93.2	Very high	97.3	Very high	81 Å²	81	53.2 Å²	53.2	67%	0.669	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.8	179.1	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 3.16Å; S112-A114 PolarHBondContact OG-N 2.82Å
115	G	93.6	Very high	97.3	Very high	25 Å²	25	49.9 Å²	49.9	26%	0.258	28%	0.282	S	S	.	.			trans	-75.9	134.8	-179	0	0	0	0	0	112.8	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.2Å; S112-G115 PolarHBondContact O-N 3.06Å; E113-G115 VanDerWaalsContact C-N 3.28Å; G115-H117 PolarHBondContact O-CD2 2.94Å; G115-H117 VanDerWaalsContact O-CD2 3.27Å
116	S	97.4	Very high	97.3	Very high	75 Å²	75	50.6 Å²	50.6	52%	0.524	29%	0.286	S	S	.	.			trans	-79.6	133.6	164.6	-174	0	0	0	0	108.7	S37	S37-S116 PolarHBondContact O-OG 3.44Å
117	H	98.4	Very high	97.3	Very high	17 Å²	17	47.9 Å²	47.9	8%	0.079	28%	0.276	C	S	.	.			trans	-133.4	150.6	-177.4	-64.5	-71.9	0	0	0	110.7	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.08Å; S37-H117 PolarHBondContact OG-N 3.36Å; S37-H117 PolarHBondContact OG-O 3.45Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; Q111-H117 PolarHBondContact NE2-CE1 3.44Å; Q111-H117 PolarHBondContact OE1-CE1 2.86Å; Q111-H117 PolarHBondContact OE1-ND1 3.29Å; G115-H117 PolarHBondContact O-CD2 2.94Å; G115-H117 VanDerWaalsContact O-CD2 3.27Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.24Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 2.93Å; H117-D143 WeakPolarHBondContact CA-OD1 3.44Å; H117-D143 WeakPolarHBondContact CB-OD1 3.44Å; H117-D143 IonicContact CE1-OD2 3.41Å; H117-D143 IonicContact CG-OD1 3.52Å; H117-D143 IonicContact CG-OD2 3.67Å; H117-D143 IonicContact ND1-OD1 2.73Å; H117-D143 PolarHBondContact ND1-OD1 3.34Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.9Å
118	T	98.8	Very high	97	Very high	38 Å²	38	46.2 Å²	46.2	23%	0.233	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.5	-175.6	-58.7	0	0	0	0	110	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.06Å; A35-T118 WeakPolarHBondContact O-CA 3.4Å; V36-T118 HydrophobicContact CG2-CG2 4.25Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.35Å; T118-Y142 WeakPolarHBondContact O-CD2 3.42Å; T118-D143 PolarHBondContact N-OD1 3.17Å; T118-D143 PolarHBondContact O-N 3.28Å
119	L	98.8	Very high	96.5	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.047	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.2	170	174.6	61.9	0	0	0	108.2	T34 A35 D98 L102 L105	T34-L119 WeakPolarHBondContact CA-O 3.38Å; A35-L119 HydrophobicContact CB-CB 4.46Å; A35-L119 PolarHBondContact N-O 2.63Å; A35-L119 PolarHBondContact O-N 3.23Å; D98-L119 HydrophobicContact CB-CD2 4.15Å; L102-L119 HydrophobicContact CD2-CB 3.68Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L105-L119 HydrophobicContact CD1-CD1 3.87Å; L105-L119 HydrophobicContact CD1-CD2 4.22Å; L105-L119 HydrophobicContact CD1-CG 4.49Å
120	Q	98.8	Very high	96	Very high	79 Å²	79	49.5 Å²	49.5	37%	0.369	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.7	177.1	-64.2	173.2	-86.1	0	0	109.7	Y33 T34 T118 S140 A141	Y33-Q120 CarbonylContact O-C 3.51Å; Y33-Q120 VanDerWaalsContact O-CA 3.28Å; Y33-Q120 WeakPolarHBondContact O-CA 3.3Å; T34-Q120 HydrophobicContact CG2-CG 4.15Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 WeakPolarHBondContact O-CA 3.49Å; Q120-A141 HydrophobicContact CB-CB 4.44Å; Q120-A141 PolarHBondContact N-O 3.12Å; Q120-A141 PolarHBondContact O-N 2.85Å
121	R	98.6	Very high	95.6	Very high	25 Å²	25	43.1 Å²	43.1	9%	0.094	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.4	174.3	-172.2	-177.6	-169.6	172.4	14.4	110	F32 Y33 D138 Q139	F32-R121 WeakPolarHBondContact CA-O 3.38Å; Y33-R121 PolarHBondContact N-O 2.96Å; Y33-R121 PolarHBondContact O-N 3.43Å; R121-D138 IonicContact CZ-OD1 3.76Å; R121-D138 VanDerWaalsContact CZ-OD1 3.3Å; R121-D138 IonicContact CZ-OD2 2.78Å; R121-D138 IonicContact NE-OD1 3.78Å; R121-D138 PolarHBondContact NE-OD1 2.88Å; R121-D138 IonicContact NE-OD2 3.17Å; R121-D138 IonicContact NH2-OD1 2.81Å; R121-D138 PolarHBondContact NH2-OD1 3.46Å; R121-D138 IonicContact NH2-OD2 3.58Å; R121-D138 PolarHBondContact NH2-OD2 3.41Å; R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 VanDerWaalsContact CA-O 3.32Å; R121-Q139 WeakPolarHBondContact CA-O 3.32Å
122	M	98.7	Very high	95.4	Very high	21 Å²	21	48.5 Å²	48.5	10%	0.103	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.7	169.4	-173.5	-76.9	-70.3	0	0	108.6	Y31 F32 Y137 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.39Å; F32-M122 HydrophobicContact CD1-CB 3.99Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.15Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.45Å; F32-M122 HydrophobicContact CZ-CG 4Å; M122-Y137 HydrophobicContact CE-CD1 4.03Å; M122-Y137 HydrophobicContact CE-CG 4.08Å; M122-Q139 HydrophobicContact CB-CG 4.14Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 3.43Å; M122-Q139 PolarHBondContact O-N 2.88Å
123	Y	98.8	Very high	95.4	Very high	17 Å²	17	47.2 Å²	47.2	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.3	171.6	71.3	-88.9	0	0	0	110.4	Y31 Y33 Y137 W180 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.36Å; Y31-Y123 AromaticContact CD2-CE2 3.6Å; Y31-Y123 HydrophobicContact CD2-CE2 3.6Å; Y31-Y123 AromaticContact CD2-CZ 3.76Å; Y31-Y123 HydrophobicContact CE2-CE2 4.35Å; Y31-Y123 HydrophobicContact CG-CE1 4.26Å; Y31-Y123 HydrophobicContact CG-CE2 4.03Å; Y31-Y123 AromaticContact CG-CZ 3.7Å; Y31-Y123 PolarHBondContact N-O 3.18Å; Y31-Y123 PolarHBondContact O-N 3.2Å; Y31-Y123 VanDerWaalsContact O-N 3.14Å; Y33-Y123 HydrophobicContact CD2-CE1 4.08Å; Y33-Y123 HydrophobicContact CE1-CE1 4.21Å; Y33-Y123 HydrophobicContact CE2-CD1 4.45Å; Y33-Y123 AromaticContact CE2-CE1 3.45Å; Y33-Y123 HydrophobicContact CE2-CE1 3.45Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.45Å; Y33-Y123 AromaticContact CZ-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CZ 3.92Å; Y33-Y123 PolarHBondContact OH-OH 3.17Å; Y123-Y137 WeakPolarHBondContact CA-O 3.44Å; Y123-Y137 VanDerWaalsContact CB-O 3.22Å; Y123-Y137 WeakPolarHBondContact CB-O 3.41Å; Y123-W180 HydrophobicContact CD2-CH2 4.35Å; Y123-W180 AromaticContact CD2-CZ3 3.78Å; Y123-W180 HydrophobicContact CD2-CZ3 3.78Å; Y123-W180 HydrophobicContact CE2-CZ3 4.29Å; Y123-W180 HydrophobicContact CG-CH2 4.3Å; Y123-W180 AromaticContact CG-CZ3 3.96Å; Y123-W180 HydrophobicContact CG-CZ3 3.96Å; Y123-Y183 AromaticContact CD2-CE1 3.87Å; Y123-Y183 HydrophobicContact CD2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CE1 3.8Å; Y123-Y183 HydrophobicContact CE2-CE1 3.8Å; Y123-Y183 AromaticContact CE2-CZ 3.95Å
124	G	98.6	Very high	95.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162	-178	-175.8	0	0	0	0	0	114	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.55Å; M29-G124 WeakPolarHBondContact O-CA 3.43Å; G124-G136 CarbonylContact O-C 3.56Å; G124-Y137 PolarHBondContact N-O 3.34Å; G124-Y137 PolarHBondContact O-N 3.49Å; G124-L184 WeakPolarHBondContact O-CD2 3.34Å
125	C	98.4	Very high	95.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.7	-178.5	52.6	0	0	0	0	111	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.37Å; M29-C125 PolarHBondContact N-O 3.38Å; M29-C125 PolarHBondContact O-N 3.09Å; C125-L133 HydrophobicContact CB-CD1 3.57Å; C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.27Å; C125-C188 HydrophobicContact CB-CB 3.94Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 3.05Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.2Å; C125-C188 PolarHBondContact SG-O 3.44Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.93Å
126	D	97.7	Very high	95.9	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.123	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.4	172.9	-61.8	-4	0	0	0	108.7	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.04Å; S28-D126 WeakPolarHBondContact CB-OD1 3.29Å; R30-D126 IonicContact CZ-OD1 3.5Å; R30-D126 IonicContact NE-OD1 3.4Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 IonicContact NH2-OD1 3.49Å; R30-D126 PolarHBondContact NH2-OD1 2.82Å; R30-D126 IonicContact NH2-OD2 3.91Å; R30-D126 PolarHBondContact NH2-OD2 3.02Å; D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.92Å; D126-R135 HydrophobicContact CB-CB 4.44Å; D126-R135 PolarHBondContact N-O 3.32Å; D126-R135 PolarHBondContact O-N 3.28Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.25Å; D126-Y137 PolarHBondContact OD2-OH 3.32Å; D126-Y137 VanDerWaalsContact OD2-OH 3.08Å
127	L	96.2	Very high	96	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.6	174.6	-57.2	-177.2	0	0	0	110.1	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.3Å; S26-L127 VanDerWaalsContact CB-O 3.3Å; S26-L127 WeakPolarHBondContact CB-O 3.34Å; H27-L127 PolarHBondContact N-O 3.37Å; H27-L127 VanDerWaalsContact N-O 3.15Å; H27-L127 PolarHBondContact O-N 3.29Å; L127-R132 CarbonylContact C-O 3.56Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.3Å; L127-V189 HydrophobicContact CD2-CB 4.21Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.86Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.24Å; L127-R193 HydrophobicContact CD1-CG 4.01Å
128	G	92.3	Very high	96	Very high	8 Å²	8	44 Å²	44	8%	0.082	22%	0.22	C	C	.	.			trans	-69.7	174	165.4	0	0	0	0	0	111.9	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.47Å; G128-G131 WeakPolarHBondContact O-CA 3.33Å; G128-G131 PolarHBondContact O-N 2.91Å; G128-R132 PolarHBondContact N-O 3.48Å
129	P	87.8	Confident	96	Very high	90 Å²	90	45.9 Å²	45.9	58%	0.584	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.8	178.5	-17.4	27.4	0	0	0	113.7	A24 G131	A24-P129 HydrophobicContact CB-CB 4.04Å; A24-P129 HydrophobicContact CB-CG 3.19Å; P129-G131 PolarHBondContact O-N 3.39Å
130	D	87.4	Confident	96	Very high	102 Å²	102	46.2 Å²	46.2	55%	0.545	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	3.5	174.3	69.8	-14.4	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 3.47Å; D130-R132 PolarHBondContact O-N 2.94Å; D130-R132 WeakPolarHBondContact OD1-CB 3.42Å; D130-R132 PolarHBondContact OD1-N 2.99Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 WeakPolarHBondContact OD2-CG 3.39Å; D130-R132 IonicContact OD2-NE 2.68Å
131	G	87.8	Confident	96	Very high	20 Å²	20	43.2 Å²	43.2	21%	0.206	22%	0.218	C	C	.	.	S	Bend	trans	71.8	10.8	-178.9	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.33Å; G128-G131 PolarHBondContact O-N 2.91Å; P129-G131 PolarHBondContact O-N 3.39Å; G131-R193 PolarHBondContact O-NE 2.93Å; G131-R193 VanDerWaalsContact O-NE 3.12Å; G131-R193 PolarHBondContact O-NH2 3.42Å
132	R	93.3	Very high	96	Very high	172 Å²	172	42.6 Å²	42.6	65%	0.649	22%	0.216	S	C	*	.	S	Bend	trans	-90.6	155.1	178.4	-61.7	-173.3	-176.6	167.1	-1.9	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.56Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.3Å; G128-R132 PolarHBondContact N-O 3.48Å; D130-R132 PolarHBondContact O-N 2.94Å; D130-R132 WeakPolarHBondContact OD1-CB 3.42Å; D130-R132 PolarHBondContact OD1-N 2.99Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 WeakPolarHBondContact OD2-CG 3.39Å; D130-R132 IonicContact OD2-NE 2.68Å; R132-L134 PolarHBondContact O-N 3.02Å; R132-L134 VanDerWaalsContact O-N 3.12Å
133	L	96.4	Very high	96	Very high	53 Å²	53	44.5 Å²	44.5	28%	0.277	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	118.1	174.6	-176.8	72.1	0	0	0	109.8	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.57Å; L133-R135 WeakPolarHBondContact CD1-O 3.3Å; L133-L154 HydrophobicContact CD2-CD1 4.24Å; L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.08Å
134	L	95.9	Very high	95.9	Very high	124 Å²	124	46.5 Å²	46.5	65%	0.649	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	-45.7	170.7	-178.9	64.1	0	0	0	110.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.92Å; R132-L134 PolarHBondContact O-N 3.02Å; R132-L134 VanDerWaalsContact O-N 3.12Å
135	R	96.4	Very high	95.9	Very high	92 Å²	92	54.2 Å²	54.2	35%	0.347	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	144.2	-176.8	-172.4	161	171.3	141.4	9.7	112.2	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.27Å; D126-R135 HydrophobicContact CB-CB 4.44Å; D126-R135 PolarHBondContact N-O 3.32Å; D126-R135 PolarHBondContact O-N 3.28Å; L133-R135 WeakPolarHBondContact CD1-O 3.3Å; R135-Y137 HydrophobicContact CB-CE2 4.03Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 WeakPolarHBondContact CD-OH 3.36Å; R135-Y137 HydrophobicContact CG-CD2 4.36Å; R135-Y137 HydrophobicContact CG-CE1 4.15Å; R135-Y137 HydrophobicContact CG-CE2 3.67Å; R135-Y137 VanDerWaalsContact NE-CE1 3.26Å; R135-Y137 PolarHBondContact NE-OH 2.91Å; R135-E152 VanDerWaalsContact CZ-CD 3.45Å; R135-E152 VanDerWaalsContact CZ-CG 3.47Å; R135-E152 IonicContact CZ-OE1 2.78Å; R135-E152 IonicContact NH1-OE1 3.47Å; R135-E152 PolarHBondContact NH1-OE1 3.41Å; R135-E152 IonicContact NH1-OE2 2.96Å; R135-E152 IonicContact NH2-OE1 3.04Å; R135-E152 PolarHBondContact NH2-OE1 2.8Å
136	G	98	Very high	95.9	Very high	5 Å²	5	60.3 Å²	60.3	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.2	171.1	0	0	0	0	0	111.4	G124	G124-G136 CarbonylContact O-C 3.56Å
137	Y	98.4	Very high	96	Very high	40 Å²	40	59.7 Å²	59.7	16%	0.157	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.6	-177.7	-57.8	-94.1	0	0	0	110.8	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 2.89Å; M122-Y137 HydrophobicContact CE-CD1 4.03Å; M122-Y137 HydrophobicContact CE-CG 4.08Å; Y123-Y137 WeakPolarHBondContact CA-O 3.44Å; Y123-Y137 VanDerWaalsContact CB-O 3.22Å; Y123-Y137 WeakPolarHBondContact CB-O 3.41Å; G124-Y137 PolarHBondContact N-O 3.34Å; G124-Y137 PolarHBondContact O-N 3.49Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.25Å; D126-Y137 PolarHBondContact OD2-OH 3.32Å; D126-Y137 VanDerWaalsContact OD2-OH 3.08Å; R135-Y137 HydrophobicContact CB-CE2 4.03Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 WeakPolarHBondContact CD-OH 3.36Å; R135-Y137 HydrophobicContact CG-CD2 4.36Å; R135-Y137 HydrophobicContact CG-CE1 4.15Å; R135-Y137 HydrophobicContact CG-CE2 3.67Å; R135-Y137 VanDerWaalsContact NE-CE1 3.26Å; R135-Y137 PolarHBondContact NE-OH 2.91Å
138	D	98.5	Very high	96.1	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.011	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	109.2	159.3	177.8	24.5	0	0	0	108.3	R121 L150 W180	R121-D138 IonicContact CZ-OD1 3.76Å; R121-D138 VanDerWaalsContact CZ-OD1 3.3Å; R121-D138 IonicContact CZ-OD2 2.78Å; R121-D138 IonicContact NE-OD1 3.78Å; R121-D138 PolarHBondContact NE-OD1 2.88Å; R121-D138 IonicContact NE-OD2 3.17Å; R121-D138 IonicContact NH2-OD1 2.81Å; R121-D138 PolarHBondContact NH2-OD1 3.46Å; R121-D138 IonicContact NH2-OD2 3.58Å; R121-D138 PolarHBondContact NH2-OD2 3.41Å; D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.28Å; D138-L150 WeakPolarHBondContact O-CB 3.38Å; D138-L150 PolarHBondContact O-N 3.36Å; D138-W180 HydrophobicContact CB-CD2 4.31Å; D138-W180 HydrophobicContact CB-CE3 4.28Å; D138-W180 PolarHBondContact OD2-NE1 3.34Å
139	Q	98.6	Very high	96.4	Very high	78 Å²	78	60.7 Å²	60.7	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	144.6	-176.7	65.3	-168.7	43.1	0	0	111.1	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 VanDerWaalsContact CA-O 3.32Å; R121-Q139 WeakPolarHBondContact CA-O 3.32Å; M122-Q139 HydrophobicContact CB-CG 4.14Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 3.43Å; M122-Q139 PolarHBondContact O-N 2.88Å; Q139-I148 WeakPolarHBondContact CA-O 3.37Å; Q139-A149 HydrophobicContact CB-CB 3.85Å
140	S	98.7	Very high	96.9	Very high	16 Å²	16	57.1 Å²	57.1	11%	0.112	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.1	179.3	-58.5	0	0	0	0	111.2	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.59Å; Q120-S140 WeakPolarHBondContact O-CA 3.49Å; S140-Y147 WeakPolarHBondContact O-CB 3.34Å; S140-Y147 PolarHBondContact O-N 2.85Å; S140-I148 PolarHBondContact N-O 3.12Å; S140-I148 PolarHBondContact O-N 2.7Å
141	A	98.8	Very high	97.4	Very high	16 Å²	16	54.3 Å²	54.3	13%	0.132	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.1	175.3	0	0	0	0	0	110.4	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.44Å; Q120-A141 PolarHBondContact N-O 3.12Å; Q120-A141 PolarHBondContact O-N 2.85Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.23Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.34Å
142	Y	98.8	Very high	97.9	Very high	11 Å²	11	59.9 Å²	59.9	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.9	177.6	-175.5	-116.5	0	0	0	110.1	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.05Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.11Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.58Å; L105-Y142 HydrophobicContact CD1-CE2 3.91Å; L105-Y142 HydrophobicContact CD1-CG 4.09Å; L105-Y142 HydrophobicContact CD2-CG 4.49Å; L105-Y142 HydrophobicContact CG-CD2 4.33Å; L105-Y142 HydrophobicContact CG-CE2 4.41Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.54Å; Y109-Y142 HydrophobicContact CD2-CE1 3.54Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CE1 3.85Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.45Å; Q111-Y142 PolarHBondContact OE1-OH 3.36Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.24Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 2.93Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.35Å; T118-Y142 WeakPolarHBondContact O-CD2 3.42Å; Y142-G144 PolarHBondContact O-N 2.77Å; Y142-K145 PolarHBondContact N-O 3.12Å; Y142-K145 PolarHBondContact O-N 3.43Å
143	D	98.3	Very high	98.1	Very high	62 Å²	62	55.4 Å²	55.4	33%	0.332	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.6	-175	-66.2	-22.4	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.35Å; H117-D143 WeakPolarHBondContact CA-OD1 3.44Å; H117-D143 WeakPolarHBondContact CB-OD1 3.44Å; H117-D143 IonicContact CE1-OD2 3.41Å; H117-D143 IonicContact CG-OD1 3.52Å; H117-D143 IonicContact CG-OD2 3.67Å; H117-D143 IonicContact ND1-OD1 2.73Å; H117-D143 PolarHBondContact ND1-OD1 3.34Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.9Å; T118-D143 PolarHBondContact N-OD1 3.17Å; T118-D143 PolarHBondContact O-N 3.28Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 3.49Å
144	G	97.5	Very high	98.2	Very high	59 Å²	59	53.3 Å²	53.3	61%	0.608	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	8.6	177.8	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 2.77Å
145	K	98.5	Very high	98.3	Very high	162 Å²	162	55.4 Å²	55.4	70%	0.704	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.4	176.7	-62.2	-179.9	-177.5	178.2	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.23Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.34Å; Y142-K145 PolarHBondContact N-O 3.12Å; Y142-K145 PolarHBondContact O-N 3.43Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 3.49Å; K145-Y147 PolarHBondContact O-N 2.9Å
146	D	98.7	Very high	98.3	Very high	127 Å²	127	52.9 Å²	52.9	68%	0.679	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.3	135.6	174	-66.1	-33	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.47Å; D146-A160 WeakPolarHBondContact O-CB 3.43Å
147	Y	98.8	Very high	98.4	Very high	10 Å²	10	53.1 Å²	53.1	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-61.9	-179.8	179.2	-106.5	0	0	0	110.4	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.37Å; L105-Y147 HydrophobicContact CD2-CD2 3.96Å; L105-Y147 HydrophobicContact CD2-CE1 3.83Å; L105-Y147 HydrophobicContact CD2-CE2 3.33Å; L105-Y147 HydrophobicContact CD2-CG 4.44Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.17Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.11Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.42Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.32Å; S140-Y147 WeakPolarHBondContact O-CB 3.34Å; S140-Y147 PolarHBondContact O-N 2.85Å; K145-Y147 PolarHBondContact O-N 2.9Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 2.87Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 2.8Å; Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.36Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.85Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	55 Å²	55	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	141.4	179.7	-160.8	171.4	0	0	0	110.4	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.37Å; S140-I148 PolarHBondContact N-O 3.12Å; S140-I148 PolarHBondContact O-N 2.7Å; I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.32Å; I148-W157 HydrophobicContact CG1-CE3 4.1Å; I148-T158 WeakPolarHBondContact CA-O 3.13Å; I148-T167 HydrophobicContact CD1-CG2 3.99Å; I148-Q168 HydrophobicContact CD1-CB 3.99Å; I148-W171 HydrophobicContact CD1-CE3 4Å; I148-W171 HydrophobicContact CD1-CZ3 4.25Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 4.04Å; I148-W171 HydrophobicContact CG2-CZ3 3.73Å
149	A	98.8	Very high	98.4	Very high	30 Å²	30	56 Å²	56	25%	0.248	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.5	178.6	0	0	0	0	0	111.7	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.85Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.35Å; A149-T158 PolarHBondContact N-O 2.86Å; A149-T158 PolarHBondContact O-N 3.46Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	128.3	168.5	-175	65.5	0	0	0	108.5	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 4.07Å; D138-L150 HydrophobicContact CB-CD2 4.28Å; D138-L150 WeakPolarHBondContact O-CB 3.38Å; D138-L150 PolarHBondContact O-N 3.36Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; L150-W157 HydrophobicContact CB-CE3 4Å; L150-W157 HydrophobicContact CB-CH2 4.05Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.3Å; L150-W157 HydrophobicContact CD1-CH2 4.02Å; L150-W157 HydrophobicContact CD1-CZ2 3.92Å; L150-W157 HydrophobicContact CD1-CZ3 4.19Å; L150-W157 HydrophobicContact CG-CZ3 4.47Å; L150-A177 HydrophobicContact CD1-CB 3.97Å; L150-W180 HydrophobicContact CD2-CB 4.04Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å
151	N	98.6	Very high	98.4	Very high	43 Å²	43	57 Å²	57	23%	0.23	32%	0.316	C	S	.	.			trans	-72.9	163.2	-179.8	-67.8	-29.5	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.75Å; N151-D153 VanDerWaalsContact O-N 3.07Å; N151-L154 WeakPolarHBondContact O-CA 3.31Å; N151-L154 PolarHBondContact O-N 2.82Å; N151-S156 WeakPolarHBondContact CB-O 3.3Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 2.76Å; N151-S156 PolarHBondContact ND2-O 3.17Å; N151-S156 PolarHBondContact ND2-OG 3.05Å; N151-T158 PolarHBondContact ND2-OG1 2.89Å; N151-T158 WeakPolarHBondContact OD1-CB 3.28Å; N151-T158 PolarHBondContact OD1-OG1 2.74Å
152	E	97.4	Very high	98.3	Very high	136 Å²	136	61.6 Å²	61.6	64%	0.636	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.5	179.9	-66.8	178.6	-163.7	0	0	113.7	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.45Å; R135-E152 VanDerWaalsContact CZ-CG 3.47Å; R135-E152 IonicContact CZ-OE1 2.78Å; R135-E152 IonicContact NH1-OE1 3.47Å; R135-E152 PolarHBondContact NH1-OE1 3.41Å; R135-E152 IonicContact NH1-OE2 2.96Å; R135-E152 IonicContact NH2-OE1 3.04Å; R135-E152 PolarHBondContact NH2-OE1 2.8Å; E152-L154 PolarHBondContact O-N 2.83Å
153	D	97.4	Very high	98.3	Very high	78 Å²	78	61.3 Å²	61.3	42%	0.417	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.2	174.6	69.8	4.1	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.75Å; N151-D153 VanDerWaalsContact O-N 3.07Å; D153-R155 VanDerWaalsContact O-CG 3.32Å; D153-R155 WeakPolarHBondContact O-CG 3.43Å; D153-R155 PolarHBondContact O-N 2.91Å; D153-R155 PolarHBondContact OD1-N 3.15Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.75Å; D153-S156 PolarHBondContact OD1-OG 2.9Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
154	L	98	Very high	98.3	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.052	33%	0.327	C	S	.	.	S	Bend	trans	52.8	28.7	-174.9	-53.7	-179.1	0	0	0	113.5	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.24Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; N151-L154 WeakPolarHBondContact O-CA 3.31Å; N151-L154 PolarHBondContact O-N 2.82Å; E152-L154 PolarHBondContact O-N 2.83Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.89Å; L154-R181 HydrophobicContact CD1-CG 4.24Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; L154-E185 HydrophobicContact CD1-CG 4.3Å
155	R	97.6	Very high	98.4	Very high	167 Å²	167	59 Å²	59	63%	0.63	31%	0.314	S	S	*	.	S	Bend	trans	-135.2	-30.1	-173.6	-71.9	168.8	-175.9	-109.7	11.5	112.9	D153 A177 R181	D153-R155 VanDerWaalsContact O-CG 3.32Å; D153-R155 WeakPolarHBondContact O-CG 3.43Å; D153-R155 PolarHBondContact O-N 2.91Å; D153-R155 PolarHBondContact OD1-N 3.15Å; R155-A177 WeakPolarHBondContact O-CB 3.39Å; R155-R181 VanDerWaalsContact CZ-NH1 3.33Å
156	S	98	Very high	98.4	Very high	40 Å²	40	54.1 Å²	54.1	28%	0.28	30%	0.295	S	S	.	.			trans	-118.8	162.4	-177.3	63.4	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.3Å; N151-S156 WeakPolarHBondContact CB-OG 3.31Å; N151-S156 PolarHBondContact N-O 2.76Å; N151-S156 PolarHBondContact ND2-O 3.17Å; N151-S156 PolarHBondContact ND2-OG 3.05Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.75Å; D153-S156 PolarHBondContact OD1-OG 2.9Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
157	W	98.7	Very high	98.4	Very high	10 Å²	10	48.9 Å²	48.9	4%	0.038	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.9	-178.2	-60.9	92.5	0	0	0	110.8	I148 A149 L150 Q168 W171 E176 A177	I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.32Å; I148-W157 HydrophobicContact CG1-CE3 4.1Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.35Å; L150-W157 HydrophobicContact CB-CE3 4Å; L150-W157 HydrophobicContact CB-CH2 4.05Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.3Å; L150-W157 HydrophobicContact CD1-CH2 4.02Å; L150-W157 HydrophobicContact CD1-CZ2 3.92Å; L150-W157 HydrophobicContact CD1-CZ3 4.19Å; L150-W157 HydrophobicContact CG-CZ3 4.47Å; W157-Q168 HydrophobicContact CB-CG 4.17Å; W157-Q168 PolarHBondContact O-NE2 2.91Å; W157-W171 AromaticContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CZ3 4.38Å; W157-W171 AromaticContact CE2-CE3 3.72Å; W157-W171 AromaticContact CE3-CE3 3.75Å; W157-W171 HydrophobicContact CE3-CE3 3.75Å; W157-W171 AromaticContact CE3-CZ3 3.8Å; W157-W171 HydrophobicContact CE3-CZ3 3.8Å; W157-W171 AromaticContact CH2-CE3 3.43Å; W157-W171 HydrophobicContact CH2-CE3 3.43Å; W157-W171 VanDerWaalsContact CH2-CE3 3.43Å; W157-W171 HydrophobicContact CH2-CH2 4.49Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.41Å; W157-W171 AromaticContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CZ3 4Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CH2 4.49Å; W157-W171 AromaticContact CZ3-CZ3 3.28Å; W157-W171 HydrophobicContact CZ3-CZ3 3.28Å; W157-E176 HydrophobicContact CZ2-CB 4.19Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	50.3 Å²	50.3	49%	0.485	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.4	166.1	-66.8	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.13Å; A149-T158 PolarHBondContact N-O 2.86Å; A149-T158 PolarHBondContact O-N 3.46Å; N151-T158 PolarHBondContact ND2-OG1 2.89Å; N151-T158 WeakPolarHBondContact OD1-CB 3.28Å; N151-T158 PolarHBondContact OD1-OG1 2.74Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	57.4 Å²	57.4	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.9	175.5	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 3.99Å; A159-Q168 HydrophobicContact CB-CB 4.39Å
160	A	98.5	Very high	98.3	Very high	61 Å²	61	61.4 Å²	61.4	50%	0.504	31%	0.313	S	S	.	.	S	Bend	trans	-74.4	-31.2	-176.7	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.47Å; D146-A160 WeakPolarHBondContact O-CB 3.43Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 2.87Å
161	D	98.3	Very high	98.3	Very high	55 Å²	55	63.4 Å²	63.4	29%	0.294	32%	0.319	S	S	.	.	S	Bend	trans	-151.1	-175.4	-178.1	67.7	29.2	0	0	0	113.3	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.98Å; Y109-D161 PolarHBondContact OH-OD2 2.81Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.12Å; D161-A163 WeakPolarHBondContact OD1-CA 2.98Å; D161-A163 WeakPolarHBondContact OD1-CB 3.38Å; D161-A163 PolarHBondContact OD1-N 2.86Å; D161-A164 PolarHBondContact O-N 3.35Å; D161-A164 PolarHBondContact OD1-N 2.98Å; D161-Q165 WeakPolarHBondContact O-CG 3.47Å; D161-Q165 PolarHBondContact O-N 3.02Å
162	T	98.3	Very high	98.3	Very high	112 Å²	112	65.9 Å²	65.9	69%	0.687	33%	0.329	S	S	*	.	H	α-helix	trans	-65.3	-27.7	-179.2	51.6	0	0	0	0	114
163	A	98.1	Very high	98.3	Very high	5 Å²	5	63.5 Å²	63.5	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-73.8	-43.6	175.3	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.16Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.92Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 2.8Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.12Å; D161-A163 WeakPolarHBondContact OD1-CA 2.98Å; D161-A163 WeakPolarHBondContact OD1-CB 3.38Å; D161-A163 PolarHBondContact OD1-N 2.86Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.86Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.46Å; A163-I166 PolarHBondContact O-N 3.04Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-34.7	173.7	0	0	0	0	0	113.1	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 3.36Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 3.35Å; D161-A164 PolarHBondContact OD1-N 2.98Å; A164-I166 PolarHBondContact O-N 3.25Å; A164-T167 WeakPolarHBondContact O-CB 3.34Å; A164-T167 PolarHBondContact O-N 3.21Å; A164-Q168 PolarHBondContact O-N 3.32Å
165	Q	98.7	Very high	98.4	Very high	73 Å²	73	69.1 Å²	69.1	34%	0.341	36%	0.359	S	S	.	.	H	α-helix	trans	-59.8	-27.5	173.3	-73.2	174.4	11.1	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.99Å; D161-Q165 WeakPolarHBondContact O-CG 3.47Å; D161-Q165 PolarHBondContact O-N 3.02Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 2.86Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.5Å; Q165-R169 PolarHBondContact O-N 2.83Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.4	Very high	98.4	Very high	58 Å²	58	63.7 Å²	63.7	30%	0.297	34%	0.341	S	S	.	.	H	α-helix	trans	-67.3	-44.9	174.1	-56.9	171.1	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.08Å; Y108-I166 HydrophobicContact CE1-CD1 4.38Å; Y108-I166 HydrophobicContact CE1-CG2 4.08Å; Y108-I166 HydrophobicContact CE2-CB 4.3Å; Y108-I166 HydrophobicContact CE2-CG2 4.17Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.46Å; A163-I166 PolarHBondContact O-N 3.04Å; A164-I166 PolarHBondContact O-N 3.25Å; I166-K170 WeakPolarHBondContact O-CG 3.35Å; I166-K170 PolarHBondContact O-N 3.34Å
167	T	98.4	Very high	98.4	Very high	18 Å²	18	62.2 Å²	62.2	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-45.8	174.7	-68.5	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.85Å; I148-T167 HydrophobicContact CD1-CG2 3.99Å; A164-T167 WeakPolarHBondContact O-CB 3.34Å; A164-T167 PolarHBondContact O-N 3.21Å; T167-R169 PolarHBondContact O-N 2.85Å; T167-K170 WeakPolarHBondContact O-CB 3.38Å; T167-K170 PolarHBondContact O-N 2.9Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.17Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.41Å; T167-W171 HydrophobicContact CG2-CZ2 3.94Å; T167-W171 HydrophobicContact CG2-CZ3 4.5Å; T167-W171 PolarHBondContact O-N 3.33Å
168	Q	98.6	Very high	98.4	Very high	39 Å²	39	67.1 Å²	67.1	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-51.3	-52.8	177.4	176.2	174.9	17.5	0	0	111.7	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.99Å; W157-Q168 HydrophobicContact CB-CG 4.17Å; W157-Q168 PolarHBondContact O-NE2 2.91Å; A159-Q168 HydrophobicContact CB-CB 4.39Å; A164-Q168 PolarHBondContact O-N 3.32Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.62Å; Q168-W171 PolarHBondContact O-N 2.85Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.47Å; Q168-E172 PolarHBondContact NE2-OE1 2.94Å; Q168-E172 WeakPolarHBondContact O-CB 3.4Å; Q168-E172 WeakPolarHBondContact O-CG 3.21Å; Q168-E172 PolarHBondContact O-N 3.17Å
169	R	98.7	Very high	98.3	Very high	154 Å²	154	69.3 Å²	69.3	58%	0.581	36%	0.359	S	S	*	.	H	α-helix	trans	-60	-37.5	179.6	-68.6	170.1	-166.2	149.3	8.7	112.6	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.5Å; Q165-R169 PolarHBondContact O-N 2.83Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 2.85Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.35Å; R169-A173 PolarHBondContact O-N 3.48Å; R169-A173 VanDerWaalsContact O-N 3.08Å
170	K	98.2	Very high	98.3	Very high	113 Å²	113	70.2 Å²	70.2	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-66.5	-44.9	176.6	-72.5	176.6	175.3	-174.5	0	111.3	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.86Å; I166-K170 WeakPolarHBondContact O-CG 3.35Å; I166-K170 PolarHBondContact O-N 3.34Å; T167-K170 WeakPolarHBondContact O-CB 3.38Å; T167-K170 PolarHBondContact O-N 2.9Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.62Å; K170-A173 PolarHBondContact O-N 3.07Å; K170-A174 WeakPolarHBondContact O-CB 3.25Å; K170-A174 PolarHBondContact O-N 3.19Å
171	W	98.3	Very high	98.3	Very high	57 Å²	57	70.8 Å²	70.8	22%	0.216	35%	0.346	C	S	.	.	H	α-helix	trans	-70.2	-37.3	-179	-74.8	5	0	0	0	112.7	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 4Å; I148-W171 HydrophobicContact CD1-CZ3 4.25Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 4.04Å; I148-W171 HydrophobicContact CG2-CZ3 3.73Å; W157-W171 AromaticContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CE3 3.86Å; W157-W171 HydrophobicContact CD2-CZ3 4.38Å; W157-W171 AromaticContact CE2-CE3 3.72Å; W157-W171 AromaticContact CE3-CE3 3.75Å; W157-W171 HydrophobicContact CE3-CE3 3.75Å; W157-W171 AromaticContact CE3-CZ3 3.8Å; W157-W171 HydrophobicContact CE3-CZ3 3.8Å; W157-W171 AromaticContact CH2-CE3 3.43Å; W157-W171 HydrophobicContact CH2-CE3 3.43Å; W157-W171 VanDerWaalsContact CH2-CE3 3.43Å; W157-W171 HydrophobicContact CH2-CH2 4.49Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.41Å; W157-W171 AromaticContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CZ3 4Å; W157-W171 AromaticContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CE3 3.56Å; W157-W171 HydrophobicContact CZ3-CH2 4.49Å; W157-W171 AromaticContact CZ3-CZ3 3.28Å; W157-W171 HydrophobicContact CZ3-CZ3 3.28Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.17Å; T167-W171 HydrophobicContact CG2-CG 4.06Å; T167-W171 HydrophobicContact CG2-CH2 4.41Å; T167-W171 HydrophobicContact CG2-CZ2 3.94Å; T167-W171 HydrophobicContact CG2-CZ3 4.5Å; T167-W171 PolarHBondContact O-N 3.33Å; Q168-W171 PolarHBondContact O-N 2.85Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; W171-A174 CarbonylContact O-C 3.51Å; W171-A174 PolarHBondContact O-N 2.6Å; W171-R175 PolarHBondContact O-N 3.43Å; W171-E176 HydrophobicContact CB-CB 3.96Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CD2-CG 4.44Å; W171-E176 HydrophobicContact CG-CB 4.16Å; W171-E176 HydrophobicContact CG-CG 3.8Å; W171-E176 PolarHBondContact O-N 3.21Å
172	E	98.5	Very high	98.3	Very high	95 Å²	95	71.3 Å²	71.3	44%	0.444	36%	0.358	S	S	.	.	H	α-helix	trans	-64	-45.5	172	-73.2	170.5	174.9	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.47Å; Q168-E172 PolarHBondContact NE2-OE1 2.94Å; Q168-E172 WeakPolarHBondContact O-CB 3.4Å; Q168-E172 WeakPolarHBondContact O-CG 3.21Å; Q168-E172 PolarHBondContact O-N 3.17Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.4Å; E172-R175 PolarHBondContact O-N 2.82Å; E172-R175 VanDerWaalsContact O-N 3.14Å
173	A	98.4	Very high	98.3	Very high	87 Å²	87	67.8 Å²	67.8	72%	0.719	33%	0.333	S	S	*	.	H	α-helix	trans	-62.9	-35.1	176.3	0	0	0	0	0	112.7	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.35Å; R169-A173 PolarHBondContact O-N 3.48Å; R169-A173 VanDerWaalsContact O-N 3.08Å; K170-A173 PolarHBondContact O-N 3.07Å
174	A	98.1	Very high	98.3	Very high	51 Å²	51	67.6 Å²	67.6	42%	0.421	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.2	176.9	0	0	0	0	0	114.1	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.25Å; K170-A174 PolarHBondContact O-N 3.19Å; W171-A174 CarbonylContact O-C 3.51Å; W171-A174 PolarHBondContact O-N 2.6Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.4Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 3.06Å
175	R	97.9	Very high	98.3	Very high	155 Å²	155	71.9 Å²	71.9	59%	0.585	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	38.5	-176.6	-56.5	-178.9	172.6	-153.6	2.3	113.8	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.43Å; E172-R175 PolarHBondContact O-N 2.82Å; E172-R175 VanDerWaalsContact O-N 3.14Å; R175-A177 PolarHBondContact O-N 3.45Å; R175-E178 HydrophobicContact CB-CG 4.27Å; R175-E178 IonicContact NH1-OE1 2.9Å; R175-E178 PolarHBondContact NH1-OE1 3.05Å; R175-E178 IonicContact NH1-OE2 3.27Å; R175-E178 WeakPolarHBondContact O-CB 3.13Å; R175-E178 PolarHBondContact O-N 3.07Å
176	E	97.9	Very high	98.2	Very high	53 Å²	53	69.5 Å²	69.5	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-57.5	-35.1	-178.8	-68.7	-74	175.8	0	0	112.4	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.19Å; W171-E176 HydrophobicContact CB-CB 3.96Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CD2-CG 4.44Å; W171-E176 HydrophobicContact CG-CB 4.16Å; W171-E176 HydrophobicContact CG-CG 3.8Å; W171-E176 PolarHBondContact O-N 3.21Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.08Å; A174-E176 PolarHBondContact O-N 3.06Å; E176-E178 PolarHBondContact O-N 2.87Å; E176-Q179 PolarHBondContact O-N 3.44Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; E176-W180 VanDerWaalsContact O-CD1 3.32Å; E176-W180 PolarHBondContact O-N 3.28Å
177	A	98.4	Very high	98.2	Very high	8 Å²	8	71 Å²	71	7%	0.066	35%	0.352	C	S	.	.	H	α-helix	trans	-60	-33.8	178.1	0	0	0	0	0	112.7	L150 R155 W157 R175 Q179 W180 R181	L150-A177 HydrophobicContact CD1-CB 3.97Å; R155-A177 WeakPolarHBondContact O-CB 3.39Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; R175-A177 PolarHBondContact O-N 3.45Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.08Å; A177-W180 PolarHBondContact O-N 3.27Å; A177-R181 WeakPolarHBondContact O-CB 3.38Å; A177-R181 PolarHBondContact O-N 3.5Å
178	E	98.2	Very high	98.2	Very high	114 Å²	114	70.2 Å²	70.2	53%	0.533	35%	0.346	S	S	.	.	H	α-helix	trans	-66.4	-38.1	177.3	-64.2	177.7	-175.5	0	0	111.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.27Å; R175-E178 IonicContact NH1-OE1 2.9Å; R175-E178 PolarHBondContact NH1-OE1 3.05Å; R175-E178 IonicContact NH1-OE2 3.27Å; R175-E178 WeakPolarHBondContact O-CB 3.13Å; R175-E178 PolarHBondContact O-N 3.07Å; E176-E178 PolarHBondContact O-N 2.87Å; E178-A182 WeakPolarHBondContact O-CB 3.46Å; E178-A182 PolarHBondContact O-N 3.48Å; E178-A182 VanDerWaalsContact O-N 3.08Å
179	Q	97.6	Very high	98.2	Very high	124 Å²	124	68.6 Å²	68.6	58%	0.579	34%	0.339	S	S	*	.	H	α-helix	trans	-68.9	-45.6	177.1	-59.5	-177.3	31.4	0	0	111.2	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.44Å; E176-Q179 VanDerWaalsContact O-N 3.11Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.08Å; Q179-A182 PolarHBondContact O-N 2.04Å; Q179-Y183 PolarHBondContact O-N 3.16Å
180	W	98.1	Very high	98.1	Very high	43 Å²	43	67.4 Å²	67.4	16%	0.163	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-41.7	177.1	-80.7	102.1	0	0	0	112.1	Y123 D138 L150 E176 A177 A182 Y183 L184	Y123-W180 HydrophobicContact CD2-CH2 4.35Å; Y123-W180 AromaticContact CD2-CZ3 3.78Å; Y123-W180 HydrophobicContact CD2-CZ3 3.78Å; Y123-W180 HydrophobicContact CE2-CZ3 4.29Å; Y123-W180 HydrophobicContact CG-CH2 4.3Å; Y123-W180 AromaticContact CG-CZ3 3.96Å; Y123-W180 HydrophobicContact CG-CZ3 3.96Å; D138-W180 HydrophobicContact CB-CD2 4.31Å; D138-W180 HydrophobicContact CB-CE3 4.28Å; D138-W180 PolarHBondContact OD2-NE1 3.34Å; L150-W180 HydrophobicContact CD2-CB 4.04Å; E176-W180 VanDerWaalsContact O-CD1 3.32Å; E176-W180 PolarHBondContact O-N 3.28Å; A177-W180 PolarHBondContact O-N 3.27Å; W180-A182 VanDerWaalsContact C-N 3.34Å; W180-A182 PolarHBondContact O-N 3.01Å; W180-Y183 HydrophobicContact CE3-CD1 4.06Å; W180-Y183 AromaticContact CZ3-CD1 3.88Å; W180-Y183 HydrophobicContact CZ3-CD1 3.88Å; W180-Y183 HydrophobicContact CZ3-CE1 4.23Å; W180-Y183 PolarHBondContact O-N 3.46Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.33Å; W180-L184 WeakPolarHBondContact O-CG 3.4Å; W180-L184 PolarHBondContact O-N 2.87Å
181	R	98.4	Very high	98.1	Very high	72 Å²	72	64 Å²	64	27%	0.272	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-44.7	174.5	-174.1	171	-179.1	-133.4	-14.4	112.1	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.89Å; L154-R181 HydrophobicContact CD1-CG 4.24Å; R155-R181 VanDerWaalsContact CZ-NH1 3.33Å; A177-R181 WeakPolarHBondContact O-CB 3.38Å; A177-R181 PolarHBondContact O-N 3.5Å; R181-Y183 VanDerWaalsContact C-N 3.35Å; R181-Y183 PolarHBondContact O-N 3.27Å; R181-L184 PolarHBondContact O-N 2.83Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 IonicContact CZ-OE1 3.85Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.83Å; R181-E185 IonicContact NE-OE1 2.81Å; R181-E185 PolarHBondContact NE-OE1 3.27Å; R181-E185 IonicContact NE-OE2 3.73Å; R181-E185 PolarHBondContact NE-OE2 3.43Å; R181-E185 IonicContact NH2-OE1 3.66Å; R181-E185 PolarHBondContact NH2-OE1 3.44Å; R181-E185 IonicContact NH2-OE2 3.96Å; R181-E185 PolarHBondContact NH2-OE2 3.49Å; R181-E185 WeakPolarHBondContact O-CB 3.47Å; R181-E185 WeakPolarHBondContact O-CG 3.49Å; R181-E185 PolarHBondContact O-N 3.04Å
182	A	98.4	Very high	98.1	Very high	66 Å²	66	61.2 Å²	61.2	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-61.6	-41.7	177.1	0	0	0	0	0	112.4	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.46Å; E178-A182 PolarHBondContact O-N 3.48Å; E178-A182 VanDerWaalsContact O-N 3.08Å; Q179-A182 PolarHBondContact O-N 2.04Å; W180-A182 VanDerWaalsContact C-N 3.34Å; W180-A182 PolarHBondContact O-N 3.01Å; A182-G186 PolarHBondContact O-N 3.08Å; A182-G186 VanDerWaalsContact O-N 3.07Å
183	Y	98.3	Very high	98	Very high	39 Å²	39	62.4 Å²	62.4	15%	0.153	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-47	174.7	171	-96.4	0	0	0	112.2	Y123 Q179 W180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.87Å; Y123-Y183 HydrophobicContact CD2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CE1 3.8Å; Y123-Y183 HydrophobicContact CE2-CE1 3.8Å; Y123-Y183 AromaticContact CE2-CZ 3.95Å; Q179-Y183 PolarHBondContact O-N 3.16Å; W180-Y183 HydrophobicContact CE3-CD1 4.06Å; W180-Y183 AromaticContact CZ3-CD1 3.88Å; W180-Y183 HydrophobicContact CZ3-CD1 3.88Å; W180-Y183 HydrophobicContact CZ3-CE1 4.23Å; W180-Y183 PolarHBondContact O-N 3.46Å; R181-Y183 VanDerWaalsContact C-N 3.35Å; R181-Y183 PolarHBondContact O-N 3.27Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-G186 PolarHBondContact O-N 3.38Å; Y183-E187 HydrophobicContact CD2-CB 3.77Å; Y183-E187 HydrophobicContact CE2-CB 3.95Å; Y183-E187 PolarHBondContact O-N 2.91Å; Y183-E187 VanDerWaalsContact O-N 3.15Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.87Å; Y183-C188 WeakPolarHBondContact O-CB 3.17Å; Y183-C188 PolarHBondContact O-N 2.85Å
184	L	98.5	Very high	97.9	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70.9	-37.9	-174.9	-69.9	170.7	0	0	0	112.8	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.34Å; L150-L184 HydrophobicContact CD2-CD1 3.91Å; L154-L184 HydrophobicContact CD2-CD1 3.97Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.33Å; W180-L184 WeakPolarHBondContact O-CG 3.4Å; W180-L184 PolarHBondContact O-N 2.87Å; R181-L184 PolarHBondContact O-N 2.83Å; L184-V189 WeakPolarHBondContact O-CG2 3.04Å
185	E	97.9	Very high	97.9	Very high	91 Å²	91	61.6 Å²	61.6	43%	0.425	28%	0.282	S	S	.	.	H	α-helix	trans	-80.2	-21.2	176.2	-67.9	-179.7	170.3	0	0	112.9	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L154-E185 HydrophobicContact CD1-CG 4.3Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 IonicContact CZ-OE1 3.85Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.83Å; R181-E185 IonicContact NE-OE1 2.81Å; R181-E185 PolarHBondContact NE-OE1 3.27Å; R181-E185 IonicContact NE-OE2 3.73Å; R181-E185 PolarHBondContact NE-OE2 3.43Å; R181-E185 IonicContact NH2-OE1 3.66Å; R181-E185 PolarHBondContact NH2-OE1 3.44Å; R181-E185 IonicContact NH2-OE2 3.96Å; R181-E185 PolarHBondContact NH2-OE2 3.49Å; R181-E185 WeakPolarHBondContact O-CB 3.47Å; R181-E185 WeakPolarHBondContact O-CG 3.49Å; R181-E185 PolarHBondContact O-N 3.04Å
186	G	97.8	Very high	97.8	Very high	22 Å²	22	54.9 Å²	54.9	23%	0.227	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-95.7	-177	0	0	0	0	0	113	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.08Å; A182-G186 VanDerWaalsContact O-N 3.07Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-G186 PolarHBondContact O-N 3.38Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.14Å; G186-V189 PolarHBondContact O-N 2.96Å; G186-E190 PolarHBondContact O-N 3.35Å
187	E	97.6	Very high	97.6	Very high	91 Å²	91	58.3 Å²	58.3	43%	0.425	27%	0.273	S	S	.	.	H	α-helix	trans	-51.7	-43.3	-171.4	-72.8	-174	-131.8	0	0	113.1	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.77Å; Y183-E187 HydrophobicContact CE2-CB 3.95Å; Y183-E187 PolarHBondContact O-N 2.91Å; Y183-E187 VanDerWaalsContact O-N 3.15Å; E187-V189 PolarHBondContact O-N 3.36Å; E187-E190 PolarHBondContact O-N 3.06Å; E187-W191 WeakPolarHBondContact O-CB 3.34Å; E187-W191 PolarHBondContact O-N 2.98Å
188	C	98.3	Very high	97.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-46.9	-179.4	-170.1	0	0	0	0	111.7	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.3Å; M29-C188 WeakPolarHBondContact CE-SG 3.43Å; C125-C188 HydrophobicContact CB-CB 3.94Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 3.05Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.2Å; C125-C188 PolarHBondContact SG-O 3.44Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.93Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.87Å; Y183-C188 WeakPolarHBondContact O-CB 3.17Å; Y183-C188 PolarHBondContact O-N 2.85Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.14Å; C188-L192 WeakPolarHBondContact O-CB 3.43Å; C188-L192 PolarHBondContact O-N 3.38Å
189	V	98.1	Very high	97.4	Very high	5 Å²	5	55 Å²	55	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-43.3	178.9	175.2	0	0	0	0	110.9	L127 L133 L184 G186 E187 R193	L127-V189 HydrophobicContact CD2-CB 4.21Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.86Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.08Å; L184-V189 WeakPolarHBondContact O-CG2 3.04Å; G186-V189 PolarHBondContact O-N 2.96Å; E187-V189 PolarHBondContact O-N 3.36Å; V189-R193 VanDerWaalsContact CG1-CZ 3.43Å; V189-R193 WeakPolarHBondContact O-CG 3.06Å; V189-R193 PolarHBondContact O-N 2.92Å
190	E	97.8	Very high	97.1	Very high	129 Å²	129	54.3 Å²	54.3	60%	0.603	25%	0.254	S	S	*	.	H	α-helix	trans	-63.1	-46.2	179.3	-70	-179.3	173.4	0	0	112.1	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 3.35Å; E187-E190 PolarHBondContact O-N 3.06Å; E190-R193 PolarHBondContact O-N 2.88Å; E190-R194 PolarHBondContact O-N 3.16Å; E190-R194 VanDerWaalsContact O-N 3.08Å
191	W	97.9	Very high	96.8	Very high	41 Å²	41	60.8 Å²	60.8	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-43.4	177.9	-81.4	107.5	0	0	0	112.2	M29 Y83 E187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.34Å; Y83-W191 AromaticContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CZ2 4.31Å; Y83-W191 AromaticContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CE2-CE3 4.27Å; Y83-W191 AromaticContact CE2-CH2 3.94Å; Y83-W191 HydrophobicContact CE2-CH2 3.94Å; Y83-W191 AromaticContact CE2-CZ3 3.76Å; Y83-W191 HydrophobicContact CE2-CZ3 3.76Å; E187-W191 WeakPolarHBondContact O-CB 3.34Å; E187-W191 PolarHBondContact O-N 2.98Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.31Å; W191-R194 WeakPolarHBondContact O-CB 3.27Å; W191-R194 PolarHBondContact O-N 2.89Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.44Å; W191-Y195 AromaticContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE2 4.29Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.93Å; W191-Y195 HydrophobicContact CZ3-CE1 3.93Å; W191-Y195 VanDerWaalsContact O-CD2 3.32Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.14Å
192	L	98	Very high	96.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-44.4	177.3	175.3	50.7	0	0	0	111.4	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.34Å; M29-L192 HydrophobicContact SD-CB 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.24Å; C188-L192 WeakPolarHBondContact O-CB 3.43Å; C188-L192 PolarHBondContact O-N 3.38Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.72Å; L192-Y195 PolarHBondContact O-N 2.82Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.01Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.35Å; L192-L196 PolarHBondContact O-N 3.15Å
193	R	96.4	Very high	95.9	Very high	120 Å²	120	56.8 Å²	56.8	45%	0.453	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-43	174.4	-72.3	175.3	-174.8	156.1	-0.3	112.5	L127 G131 V189 E190 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 4.01Å; G131-R193 PolarHBondContact O-NE 2.93Å; G131-R193 VanDerWaalsContact O-NE 3.12Å; G131-R193 PolarHBondContact O-NH2 3.42Å; V189-R193 VanDerWaalsContact CG1-CZ 3.43Å; V189-R193 WeakPolarHBondContact O-CG 3.06Å; V189-R193 PolarHBondContact O-N 2.92Å; E190-R193 PolarHBondContact O-N 2.88Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.31Å; R193-L196 PolarHBondContact O-N 3.29Å; R193-E197 PolarHBondContact O-N 3.07Å
194	R	96.7	Very high	95.4	Very high	120 Å²	120	59.3 Å²	59.3	45%	0.453	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-44.4	176.6	178.9	179.2	175.1	121.4	-4.5	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.43Å; E79-R194 IonicContact OE1-NE 3.49Å; E79-R194 PolarHBondContact OE1-NE 2.78Å; E79-R194 IonicContact OE1-NH2 2.76Å; E79-R194 PolarHBondContact OE1-NH2 2.85Å; E79-R194 VanDerWaalsContact OE1-NH2 3.17Å; E79-R194 IonicContact OE2-CZ 3.71Å; E79-R194 IonicContact OE2-NE 3.71Å; E79-R194 IonicContact OE2-NH2 2.76Å; E79-R194 PolarHBondContact OE2-NH2 2.87Å; E190-R194 PolarHBondContact O-N 3.16Å; E190-R194 VanDerWaalsContact O-N 3.08Å; W191-R194 WeakPolarHBondContact O-CB 3.27Å; W191-R194 PolarHBondContact O-N 2.89Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.72Å; R194-E197 PolarHBondContact O-N 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.3Å; R194-N198 PolarHBondContact O-N 2.68Å; R194-N198 PolarHBondContact O-OD1 2.96Å
195	Y	97.2	Very high	95	Very high	1 Å²	1	63.7 Å²	63.7	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-67.2	-39.3	178.5	-61.9	-29.3	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 3.9Å; V52-Y195 HydrophobicContact CG2-CG 4.41Å; F57-Y195 HydrophobicContact CE2-CD2 4.47Å; F57-Y195 AromaticContact CE2-CE2 3.78Å; F57-Y195 HydrophobicContact CE2-CE2 3.78Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.37Å; F57-Y195 AromaticContact CZ-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CE2 3.79Å; W75-Y195 HydrophobicContact CE3-CD1 4.31Å; W75-Y195 HydrophobicContact CH2-CD2 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.13Å; W75-Y195 AromaticContact CZ3-CD1 3.63Å; W75-Y195 HydrophobicContact CZ3-CD1 3.63Å; W75-Y195 HydrophobicContact CZ3-CD2 4.29Å; W75-Y195 HydrophobicContact CZ3-CE1 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; V76-Y195 HydrophobicContact CG2-CE1 4.42Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.17Å; Y83-Y195 PolarHBondContact OH-OH 3.01Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.44Å; W191-Y195 AromaticContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE2 4.29Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.93Å; W191-Y195 HydrophobicContact CZ3-CE1 3.93Å; W191-Y195 VanDerWaalsContact O-CD2 3.32Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.14Å; L192-Y195 PolarHBondContact O-N 2.82Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.47Å; Y195-N198 PolarHBondContact O-N 2.72Å; Y195-G199 WeakPolarHBondContact O-CA 3.16Å; Y195-G199 PolarHBondContact O-N 2.93Å; Y195-L203 WeakPolarHBondContact O-CD1 3.22Å
196	L	95.6	Very high	94.6	Very high	14 Å²	14	61.3 Å²	61.3	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-35.6	174.7	-71.3	169.6	0	0	0	112.5	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.43Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.01Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.35Å; L192-L196 PolarHBondContact O-N 3.15Å; R193-L196 PolarHBondContact O-N 3.29Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.48Å; L196-K200 WeakPolarHBondContact O-CB 3.3Å; L196-K200 PolarHBondContact O-N 2.91Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.16Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 PolarHBondContact O-NE2 3.07Å
197	E	95.4	Very high	94.4	Very high	124 Å²	124	63.2 Å²	63.2	58%	0.579	29%	0.291	S	S	*	.	H	α-helix	trans	-72.1	-47.6	174.5	-171.3	60.4	-150.8	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.07Å; R194-E197 PolarHBondContact O-N 3.24Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.47Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 2.83Å; E197-K200 WeakPolarHBondContact O-CB 3.43Å; E197-K200 PolarHBondContact O-N 2.86Å
198	N	96.2	Very high	94.2	Very high	51 Å²	51	64.2 Å²	64.2	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-40.4	179.1	-70.7	-6.9	0	0	0	112.6	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.42Å; Q78-N198 VanDerWaalsContact NE2-CB 3.27Å; Q78-N198 PolarHBondContact NE2-ND2 2.86Å; Q78-N198 PolarHBondContact NE2-OD1 2.86Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.13Å; E79-N198 PolarHBondContact OE1-ND2 3.3Å; R194-N198 WeakPolarHBondContact O-CB 3.3Å; R194-N198 PolarHBondContact O-N 2.68Å; R194-N198 PolarHBondContact O-OD1 2.96Å; Y195-N198 PolarHBondContact O-N 2.72Å
199	G	94.9	Very high	94.2	Very high	2 Å²	2	64.3 Å²	64.3	2%	0.021	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	19.2	-176	0	0	0	0	0	113.7	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.16Å; Y195-G199 PolarHBondContact O-N 2.93Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 2.83Å; G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 3.1Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.33Å; G199-T202 PolarHBondContact O-N 2.94Å; G199-T202 PolarHBondContact O-OG1 3.48Å; G199-L203 WeakPolarHBondContact O-CB 3.44Å; G199-L203 PolarHBondContact O-N 2.99Å
200	K	92.7	Very high	94.1	Very high	109 Å²	109	71 Å²	71	47%	0.474	33%	0.325	S	S	.	.	H	α-helix	trans	-49.3	-44.4	-171.7	-177.7	173.3	-175.1	172.3	0	113.9	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.48Å; L196-K200 WeakPolarHBondContact O-CB 3.3Å; L196-K200 PolarHBondContact O-N 2.91Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.43Å; E197-K200 PolarHBondContact O-N 2.86Å; K200-T202 PolarHBondContact O-N 3.5Å; K200-Q204 WeakPolarHBondContact O-CB 3.39Å; K200-Q204 PolarHBondContact O-N 2.98Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
201	E	90.1	Very high	94.1	Very high	180 Å²	180	66.5 Å²	66.5	84%	0.841	31%	0.307	S	S	*	.	H	α-helix	trans	-64	-26.5	179.8	-62.8	-174.5	165.7	0	0	113.3	G199 R205	G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 3.1Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 WeakPolarHBondContact O-CD 3.47Å
202	T	89.2	Confident	94.1	Very high	49 Å²	49	68.3 Å²	68.3	30%	0.301	32%	0.317	S	S	.	.	H	α-helix	trans	-104.6	-32.9	-176.1	51.5	0	0	0	0	114.5	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.25Å; G199-T202 CarbonylContact O-C 3.57Å; G199-T202 WeakPolarHBondContact O-CA 3.33Å; G199-T202 PolarHBondContact O-N 2.94Å; G199-T202 PolarHBondContact O-OG1 3.48Å; K200-T202 PolarHBondContact O-N 3.5Å; T202-R205 WeakPolarHBondContact O-CG 3.33Å; T202-R205 PolarHBondContact O-NE 3.32Å; T202-R205 VanDerWaalsContact O-NE 3.15Å
203	L	90.4	Very high	94.1	Very high	5 Å²	5	69.3 Å²	69.3	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-96.4	-28	-173.1	-63.9	172.5	0	0	0	112.4	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.41Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.19Å; W75-L203 HydrophobicContact CZ2-CG 4.44Å; Y195-L203 WeakPolarHBondContact O-CD1 3.22Å; L196-L203 HydrophobicContact CD2-CB 4.16Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 WeakPolarHBondContact O-CB 3.44Å; G199-L203 PolarHBondContact O-N 2.99Å
204	Q	87.6	Confident	94.1	Very high	92 Å²	92	65.2 Å²	65.2	43%	0.43	31%	0.311	S	S	.	.	S	Bend	trans	-103.9	19.8	177.9	-57.7	178.5	32.8	0	0	111.8	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.07Å; K200-Q204 WeakPolarHBondContact O-CB 3.39Å; K200-Q204 PolarHBondContact O-N 2.98Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
205	R	88.4	Confident	94.1	Very high	91 Å²	91	62.1 Å²	62.1	34%	0.343	30%	0.301	S	S	.	.			trans	-93	145.7	170.7	72.9	-173.8	171.6	152.1	11.8	109.1	E201 T202 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.47Å; T202-R205 WeakPolarHBondContact O-CG 3.33Å; T202-R205 PolarHBondContact O-NE 3.32Å; T202-R205 VanDerWaalsContact O-NE 3.15Å; R205-E207 IonicContact CZ-OE1 3.49Å; R205-E207 IonicContact NE-OE1 2.77Å; R205-E207 IonicContact NH1-OE1 3.52Å; R205-E207 PolarHBondContact NH1-OE1 3.21Å; R205-E207 IonicContact NH2-OE1 2.67Å; R205-E207 PolarHBondContact NH2-OE1 2.81Å; R205-Y233 HydrophobicContact CG-CD1 4.25Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.34Å
206	A	90.5	Very high	93.9	Very high	42 Å²	42	65.8 Å²	65.8	35%	0.347	32%	0.319	S	S	.	.			trans	-117.5	119.3	165.3	0	0	0	0	0	108.5	Y233 E288	A206-Y233 CarbonylContact C-O 3.59Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; A206-E288 HydrophobicContact CB-CG 4.46Å
207	E	92.9	Very high	93.8	Very high	62 Å²	62	69.9 Å²	69.9	29%	0.29	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-95.8	119.1	173.9	-67	-169.2	-153.9	0	0	108.7	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.49Å; R205-E207 IonicContact NE-OE1 2.77Å; R205-E207 IonicContact NH1-OE1 3.52Å; R205-E207 PolarHBondContact NH1-OE1 3.21Å; R205-E207 IonicContact NH2-OE1 2.67Å; R205-E207 PolarHBondContact NH2-OE1 2.81Å; E207-F232 WeakPolarHBondContact O-CA 3.42Å; E207-F232 WeakPolarHBondContact O-CB 3.39Å; E207-Y233 PolarHBondContact N-O 2.91Å; E207-Y233 PolarHBondContact O-N 3.16Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; E207-H287 PolarHBondContact O-CE1 3.11Å
208	H	94.3	Very high	93.6	Very high	111 Å²	111	68.5 Å²	68.5	51%	0.514	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-70.4	145.7	-178.4	58.4	-97.5	0	0	0	111.8	K210 L290	H208-K210 PolarHBondContact O-N 3.38Å; H208-L290 HydrophobicContact CB-CD2 3.94Å
209	P	97.3	Very high	93.4	Very high	3 Å²	3	68.6 Å²	68.6	2%	0.019	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.9	132.3	177.9	28	-34.7	0	0	0	111.5	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.93Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.63Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.97Å; P209-F232 HydrophobicContact CB-CG 4.21Å; P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 4.02Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	97.6	Very high	93.1	Very high	146 Å²	146	75.7 Å²	75.7	64%	0.635	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	109.9	163.7	-65.5	171.6	-172.8	164.3	0	108	H208 L230	H208-K210 PolarHBondContact O-N 3.38Å; K210-L230 PolarHBondContact N-O 3.42Å; K210-L230 PolarHBondContact O-N 3.04Å
211	T	97.7	Very high	93.1	Very high	34 Å²	34	77.3 Å²	77.3	21%	0.209	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	142.7	-171.9	58.3	0	0	0	0	113.2	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.93Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 2.63Å; T211-W228 WeakPolarHBondContact CA-O 3.49Å; T211-W228 WeakPolarHBondContact CB-O 3.22Å; T211-A229 HydrophobicContact CG2-CB 4.32Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; T211-L294 HydrophobicContact CG2-CD1 4.3Å; T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.11Å
212	H	97	Very high	93.3	Very high	79 Å²	79	73.3 Å²	73.3	37%	0.366	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	159.3	171.5	63.1	-76	0	0	0	110.8	W228	H212-W228 AromaticContact CD2-CD1 4Å; H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.17Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 3.4Å
213	V	98	Very high	93.6	Very high	21 Å²	21	71 Å²	71	13%	0.127	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.3	176.6	-179.6	0	0	0	0	109.4	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.38Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-R226 WeakPolarHBondContact CA-O 3.25Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.35Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; V213-L296 HydrophobicContact CG2-CB 3.87Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.83Å
214	T	96.6	Very high	94	Very high	33 Å²	33	71.9 Å²	71.9	20%	0.202	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.4	176.5	53.8	0	0	0	0	110	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.3Å; T214-H216 VanDerWaalsContact OG1-CE1 3.29Å; T214-L225 WeakPolarHBondContact O-CA 3.49Å; T214-R226 PolarHBondContact N-O 3.04Å; T214-R226 PolarHBondContact O-N 3.07Å; T214-R226 WeakPolarHBondContact OG1-CB 3.42Å; T214-R226 PolarHBondContact OG1-O 3.32Å; T214-R226 VanDerWaalsContact OG1-O 3.09Å; T214-W228 PolarHBondContact OG1-NE1 3.48Å
215	H	95.8	Very high	94.4	Very high	55 Å²	55	67.5 Å²	67.5	26%	0.255	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.6	-178.5	169.6	-90.7	0	0	0	109.9	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.3Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.14Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.83Å
216	H	94.1	Very high	94.9	Very high	79 Å²	79	65.7 Å²	65.7	37%	0.366	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	105.4	-178.7	-58.1	83	0	0	0	109.1	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.3Å; T214-H216 VanDerWaalsContact OG1-CE1 3.29Å; H216-V218 PolarHBondContact O-N 3.17Å; H216-A223 CarbonylContact O-C 3.42Å; H216-A223 WeakPolarHBondContact O-CA 3.19Å; H216-T224 PolarHBondContact N-O 3.17Å; H216-T224 PolarHBondContact O-N 3.42Å; H216-R226 PolarHBondContact CE1-NH1 3.08Å
217	P	93.4	Very high	95.3	Very high	100 Å²	100	63.7 Å²	63.7	65%	0.649	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	130.2	172.9	-19.1	29.7	0	0	0	110.4
218	V	90.7	Very high	95.5	Very high	95 Å²	95	62.9 Å²	62.9	58%	0.576	32%	0.32	S	S	*	.			trans	-103.2	-41.6	176.1	-179.2	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.17Å; V218-E222 PolarHBondContact N-O 2.83Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.43Å
219	S	91.6	Very high	95.7	Very high	53 Å²	53	57.6 Å²	57.6	37%	0.371	30%	0.296	S	S	.	.	S	Bend	trans	-147.3	-178.5	175	72.6	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.46Å; S219-H221 PolarHBondContact OG-N 2.85Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; S219-E222 PolarHBondContact N-O 3.25Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.49Å
220	D	89.1	Confident	95.8	Very high	150 Å²	150	60 Å²	60	80%	0.802	31%	0.308	S	S	*	.	S	Bend	trans	-63.1	-19.8	172.6	-65.9	-22.3	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 2.87Å; D220-S275 VanDerWaalsContact O-OG 3.08Å
221	H	92.6	Very high	95.7	Very high	144 Å²	144	54 Å²	54	67%	0.667	29%	0.287	S	S	*	.	S	Bend	trans	-108	-15.1	-174.2	-55.3	-48	0	0	0	113.9	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.46Å; S219-H221 PolarHBondContact OG-N 2.85Å; S219-H221 VanDerWaalsContact OG-N 3.17Å; H221-P274 WeakPolarHBondContact O-CA 3.5Å; H221-S275 PolarHBondContact O-N 2.86Å; H221-S275 PolarHBondContact O-OG 2.85Å
222	E	95.1	Very high	95.6	Very high	96 Å²	96	52.3 Å²	52.3	45%	0.449	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	145	-171.9	-66.3	179.6	170.1	0	0	112.4	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.83Å; S219-E222 PolarHBondContact N-O 3.25Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.49Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; E222-V273 WeakPolarHBondContact CA-O 3.43Å; E222-S275 PolarHBondContact N-OG 3.16Å
223	A	95.6	Very high	95.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155.5	171.3	0	0	0	0	0	110.8	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.32Å; H216-A223 CarbonylContact O-C 3.42Å; H216-A223 WeakPolarHBondContact O-CA 3.19Å; A223-V272 WeakPolarHBondContact O-CA 3.28Å; A223-V273 HydrophobicContact CB-CG2 4.4Å; A223-V273 PolarHBondContact N-O 3.32Å; A223-V273 WeakPolarHBondContact O-CG2 3.31Å; A223-V273 PolarHBondContact O-N 3.45Å
224	T	97.3	Very high	95.3	Very high	22 Å²	22	48.6 Å²	48.6	14%	0.135	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.4	170.1	-54.8	0	0	0	0	109.6	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.17Å; H216-T224 PolarHBondContact O-N 3.42Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.43Å; T224-A270 HydrophobicContact CG2-CB 3.91Å; T224-V271 WeakPolarHBondContact CA-O 3.46Å
225	L	97.9	Very high	95.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.8	165.5	-63.4	-175.9	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.38Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 WeakPolarHBondContact O-CA 3.49Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.51Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 2.81Å; L225-V271 PolarHBondContact O-N 3.13Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.09Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.34Å; L225-W298 HydrophobicContact CD1-CB 4.45Å; L225-W298 HydrophobicContact CD2-CB 3.85Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 3.99Å
226	R	98.2	Very high	95	Very high	53 Å²	53	52.7 Å²	52.7	20%	0.2	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117	176.1	-179.1	-176.2	-60.4	116.6	3.2	110.2	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.25Å; T214-R226 PolarHBondContact N-O 3.04Å; T214-R226 PolarHBondContact O-N 3.07Å; T214-R226 WeakPolarHBondContact OG1-CB 3.42Å; T214-R226 PolarHBondContact OG1-O 3.32Å; T214-R226 VanDerWaalsContact OG1-O 3.09Å; H216-R226 PolarHBondContact CE1-NH1 3.08Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.08Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.19Å; R226-A269 WeakPolarHBondContact CA-O 3.45Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.14Å
227	C	98.3	Very high	95.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123	175.1	-174.6	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.45Å; C227-W268 WeakPolarHBondContact O-CB 3.23Å; C227-A269 PolarHBondContact N-O 2.82Å; C227-A269 PolarHBondContact O-N 3.26Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.37Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.81Å
228	W	98.3	Very high	95.2	Very high	46 Å²	46	47.4 Å²	47.4	17%	0.174	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.5	-180	-69.4	89.5	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.49Å; T211-W228 WeakPolarHBondContact CB-O 3.22Å; H212-W228 AromaticContact CD2-CD1 4Å; H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.17Å; H212-W228 AromaticContact NE2-CD1 3.49Å; H212-W228 AromaticContact NE2-CG 3.72Å; H212-W228 PolarHBondContact O-N 3.4Å; T214-W228 PolarHBondContact OG1-NE1 3.48Å; R226-W228 HydrophobicContact CG-CZ2 4.42Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.4Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.69Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å
229	A	98.3	Very high	95.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.9	162.5	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.32Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.86Å; A229-F232 WeakPolarHBondContact O-CE1 3.22Å; A229-I237 HydrophobicContact CB-CD1 3.66Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.21Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.48Å; A229-K267 PolarHBondContact N-O 2.74Å; A229-K267 PolarHBondContact O-N 3.13Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98	Very high	95.8	Very high	53 Å²	53	42.5 Å²	42.5	28%	0.277	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.6	-174.5	-57.8	176.5	0	0	0	110.8	K210 W228 Q266	K210-L230 PolarHBondContact N-O 3.42Å; K210-L230 PolarHBondContact O-N 3.04Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.4Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231	G	96.7	Very high	96.3	Very high	19 Å²	19	35.5 Å²	35.5	20%	0.196	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69	34.7	168.7	0	0	0	0	0	113.7	F265	G231-F265 PolarHBondContact N-O 2.89Å
232	F	96.2	Very high	96.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	155.7	179	60.2	-90.7	0	0	0	112.2	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.42Å; E207-F232 WeakPolarHBondContact O-CB 3.39Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.97Å; P209-F232 HydrophobicContact CB-CG 4.21Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.86Å; A229-F232 WeakPolarHBondContact O-CE1 3.22Å; F232-P234 WeakPolarHBondContact CD2-O 3.21Å; F232-I237 HydrophobicContact CD1-CD1 3.85Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CD2-CG2 4.49Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.38Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.97Å; F232-I237 HydrophobicContact CE2-CG1 4.47Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.5Å; F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.8Å; F232-T264 WeakPolarHBondContact O-CA 3.43Å; F232-F265 WeakPolarHBondContact CD1-O 3.28Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; 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 4.45Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 3.08Å; F232-F265 PolarHBondContact O-N 3.47Å; F232-K267 HydrophobicContact CE1-CB 4.34Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.73Å; F232-H287 AromaticContact CD2-NE2 3.64Å
233	Y	93.9	Very high	96.6	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.016	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-152.4	135.1	173.8	177.2	-83.3	0	0	0	108.5	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.13Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.46Å; T55-Y233 PolarHBondContact OG1-OH 3.11Å; R205-Y233 HydrophobicContact CG-CD1 4.25Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.34Å; A206-Y233 CarbonylContact C-O 3.59Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; E207-Y233 PolarHBondContact N-O 2.91Å; E207-Y233 PolarHBondContact O-N 3.16Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; Y233-G263 WeakPolarHBondContact CD2-O 3.36Å; Y233-F265 HydrophobicContact CD2-CD2 4.48Å; Y233-F265 AromaticContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CE2-CE2 4.5Å; Y233-H287 PolarHBondContact O-CE1 2.98Å
234	P	92.9	Very high	96.6	Very high	18 Å²	18	34.1 Å²	34.1	12%	0.117	18%	0.175	C	C	.	.	S	Bend	cis	-74.5	-177.8	4.6	31.3	-36.7	0	0	0	113.5	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.31Å; D54-P234 WeakPolarHBondContact OD2-CB 3.48Å; F232-P234 WeakPolarHBondContact CD2-O 3.21Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 2.88Å; P234-H287 PolarHBondContact O-NE2 2.79Å; P234-E288 HydrophobicContact CG-CB 4.46Å; P234-E288 WeakPolarHBondContact CG-OE2 3.48Å
235	T	93.6	Very high	96.3	Very high	34 Å²	34	35.5 Å²	35.5	21%	0.209	19%	0.193	C	C	.	.	S	Bend	trans	-68.9	-25.1	-175	-158	0	0	0	0	113.7	D54 I237 T257 F265	D54-T235 VanDerWaalsContact CG-CG2 3.43Å; D54-T235 WeakPolarHBondContact OD1-CG2 3.46Å; D54-T235 WeakPolarHBondContact OD2-CB 3.42Å; D54-T235 VanDerWaalsContact OD2-CG2 3.28Å; D54-T235 WeakPolarHBondContact OD2-CG2 3.09Å; D54-T235 PolarHBondContact OD2-N 3.03Å; T235-I237 PolarHBondContact O-N 3.15Å; T235-T257 VanDerWaalsContact OG1-CG2 3.3Å; T235-T257 WeakPolarHBondContact OG1-CG2 3.49Å; T235-F265 WeakPolarHBondContact OG1-CD1 3.42Å
236	E	93.9	Very high	96.1	Very high	139 Å²	139	42.4 Å²	42.4	65%	0.65	23%	0.225	S	C	*	.			trans	-68.8	113.9	-176.6	-170.4	58.2	-139.4	0	0	110.1	P234 H287	P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 2.88Å; E236-H287 PolarHBondContact O-CD2 3.25Å
237	I	95.3	Very high	96	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	140.2	-178.4	-166	167.9	0	0	0	109.7	P209 A229 F232 T235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.66Å; F232-I237 HydrophobicContact CD1-CD1 3.85Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CD2-CG2 4.49Å; F232-I237 HydrophobicContact CE1-CD1 3.79Å; F232-I237 HydrophobicContact CE1-CG2 4.38Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.97Å; F232-I237 HydrophobicContact CE2-CG1 4.47Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.5Å; T235-I237 PolarHBondContact O-N 3.15Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 4.15Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; I237-H287 HydrophobicContact CD1-CB 4.12Å; I237-H287 HydrophobicContact CG1-CB 3.97Å
238	T	96.6	Very high	95.8	Very high	58 Å²	58	45.6 Å²	45.6	36%	0.356	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122	174.5	-63.2	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.03Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; T238-Q286 PolarHBondContact N-O 3.24Å; T238-Q286 PolarHBondContact O-N 2.9Å
239	L	97.6	Very high	95.4	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.9	172.6	-86.8	62.3	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.21Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.59Å; I237-L239 HydrophobicContact CG2-CD1 4.15Å; L239-L254 HydrophobicContact CB-CD1 4.14Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.03Å; L239-A269 HydrophobicContact CD2-CB 4.28Å; L239-H284 WeakPolarHBondContact CA-O 3.44Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.3	Very high	94.9	Very high	40 Å²	40	57.7 Å²	57.7	25%	0.245	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142	178.7	48.8	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.03Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; T240-H284 PolarHBondContact N-O 2.91Å; T240-H284 PolarHBondContact O-N 2.97Å; T240-H284 WeakPolarHBondContact OG1-CB 3.3Å
241	W	98.1	Very high	94.4	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.9	169.8	-83	106.2	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.35Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.79Å; W241-A269 PolarHBondContact NE1-O 3.09Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.02Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.07Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å
242	Q	97.7	Very high	94.2	Very high	43 Å²	43	60.9 Å²	60.9	20%	0.201	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146	171.9	-70.4	-174	-4.4	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.48Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.32Å; Q242-D247 PolarHBondContact NE2-OD1 3.24Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.21Å; Q242-T282 PolarHBondContact N-O 3.17Å; Q242-T282 PolarHBondContact O-N 2.78Å; Q242-H284 PolarHBondContact OE1-NE2 2.88Å
243	R	97.2	Very high	94.2	Very high	70 Å²	70	66.3 Å²	66.3	26%	0.264	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.2	168.6	-176	-172.4	-175.6	179.4	0.7	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.44Å; R243-E246 PolarHBondContact N-O 3.35Å; R243-E246 PolarHBondContact O-N 2.89Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; R243-E277 IonicContact CZ-OE2 3.79Å; R243-E277 IonicContact NE-OE2 2.8Å; R243-E277 IonicContact NH2-OE1 2.67Å; R243-E277 IonicContact NH2-OE2 3.56Å; R243-E277 PolarHBondContact NH2-OE2 3.36Å; R243-R280 WeakPolarHBondContact CA-O 3.25Å; R243-R280 HydrophobicContact CG-CB 4.38Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.48Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å
244	D	94.8	Very high	94.4	Very high	100 Å²	100	70.4 Å²	70.4	54%	0.535	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	29.7	-175.4	-53.1	-52.2	0	0	0	114.3	R280	D244-R280 PolarHBondContact N-O 2.91Å; D244-R280 IonicContact OD1-NE 3.78Å; D244-R280 PolarHBondContact OD1-NE 3.31Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 3.99Å; D244-R280 PolarHBondContact OD2-NE 3.43Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 2.85Å
245	G	91.1	Very high	94.5	Very high	50 Å²	50	71.1 Å²	71.1	52%	0.515	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-0.2	-177.8	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.44Å
246	E	95.1	Very high	94.6	Very high	146 Å²	146	77.7 Å²	77.7	68%	0.682	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.2	175.8	-63.3	-174	170.8	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.48Å; R243-E246 PolarHBondContact N-O 3.35Å; R243-E246 PolarHBondContact O-N 2.89Å; E246-Q248 PolarHBondContact O-NE2 3.12Å
247	D	94.9	Very high	94.8	Very high	95 Å²	95	73.1 Å²	73.1	51%	0.508	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	133.8	-179.6	-68.6	-22.1	0	0	0	112.5	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.32Å; Q242-D247 PolarHBondContact NE2-OD1 3.24Å
248	Q	94.6	Very high	94.8	Very high	24 Å²	24	77 Å²	77	11%	0.112	40%	0.4	C	S	.	.			trans	-104.4	39.1	-177.5	-57.3	-60.6	-68.9	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 2.79Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; E246-Q248 PolarHBondContact O-NE2 3.12Å; Q248-Q250 VanDerWaalsContact C-N 3.33Å; Q248-Q250 PolarHBondContact O-N 3.42Å; Q248-D251 PolarHBondContact O-N 3.32Å; Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.22Å; Q248-T252 PolarHBondContact O-N 3.15Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.87Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å
249	T	88.6	Confident	94.8	Very high	108 Å²	108	78.8 Å²	78.8	66%	0.663	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-36.7	-169	-46.1	0	0	0	0	114.1
250	Q	88.5	Confident	94.7	Very high	192 Å²	192	80.9 Å²	80.9	90%	0.897	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-31.9	-178	-66.3	-174.8	10.9	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.33Å; Q248-Q250 PolarHBondContact O-N 3.42Å; Q250-T252 VanDerWaalsContact C-N 3.33Å
251	D	86.8	Confident	94.4	Very high	115 Å²	115	82.5 Å²	82.5	62%	0.615	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-0	-178.2	-57.4	-51	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 3.32Å
252	T	94.3	Very high	94	Very high	24 Å²	24	87.8 Å²	87.8	15%	0.147	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.6	179.6	-64	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 VanDerWaalsContact O-CB 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.22Å; Q248-T252 PolarHBondContact O-N 3.15Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.87Å; Q250-T252 VanDerWaalsContact C-N 3.33Å; T252-L254 HydrophobicContact CG2-CB 4.41Å; T252-L254 PolarHBondContact O-N 2.87Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.48Å
253	E	96.3	Very high	93.6	Very high	115 Å²	115	87.7 Å²	87.7	54%	0.537	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	106.1	163.1	-173.9	-174.8	-172.5	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.43Å; E253-A269 CarbonylContact O-C 3.52Å; E253-A269 WeakPolarHBondContact O-CA 3.39Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3Å; E253-A270 PolarHBondContact O-N 2.86Å
254	L	96.4	Very high	93.5	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	-109.8	119.6	177.4	-173.8	68.4	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.14Å; T252-L254 HydrophobicContact CG2-CB 4.41Å; T252-L254 PolarHBondContact O-N 2.87Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
255	V	96.1	Very high	93.6	Very high	33 Å²	33	81 Å²	81	20%	0.2	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-84.3	154	175.2	-66.5	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.19Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 2.84Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 4.01Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.72Å; V255-W268 HydrophobicContact CG2-CE3 4.43Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.34Å; V255-W268 WeakPolarHBondContact CG2-O 3.49Å; V255-W268 PolarHBondContact N-O 2.97Å
256	E	95.8	Very high	93.9	Very high	172 Å²	172	80.9 Å²	80.9	80%	0.804	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-57.6	147.1	167.2	-67.6	-176.9	173.2	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 2.81Å
257	T	96.8	Very high	94.1	Very high	42 Å²	42	74.9 Å²	74.9	26%	0.258	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-68.3	131.5	174.6	-54.8	0	0	0	0	108.5	F232 T235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.8Å; T235-T257 VanDerWaalsContact OG1-CG2 3.3Å; T235-T257 WeakPolarHBondContact OG1-CG2 3.49Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 4.03Å; T257-F265 HydrophobicContact CG2-CG 4.17Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 3.4Å; T257-K267 VanDerWaalsContact OG1-NZ 3.14Å
258	R	96.2	Very high	94.2	Very high	92 Å²	92	71.5 Å²	71.5	35%	0.347	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.2	-173.9	68.5	-165.3	-179.2	-166.6	2.1	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.81Å; R258-F265 WeakPolarHBondContact O-CA 3.35Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 2.83Å; R258-Q266 WeakPolarHBondContact O-CG 3.33Å; R258-Q266 PolarHBondContact O-N 3.42Å
259	P	96.3	Very high	94.4	Very high	96 Å²	96	70.4 Å²	70.4	62%	0.623	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.8	178	28.3	-34.3	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.35Å
260	A	95.3	Very high	94.8	Very high	49 Å²	49	65.3 Å²	65.3	41%	0.405	37%	0.365	S	S	.	.			trans	-88	-18.8	172.3	0	0	0	0	0	112.8	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.45Å; A260-T264 WeakPolarHBondContact CB-O 3.47Å; A260-T264 PolarHBondContact N-O 3.47Å
261	G	90.9	Very high	95.3	Very high	75 Å²	75	56.3 Å²	56.3	77%	0.773	32%	0.323	S	S	*	.	S	Bend	trans	96.3	-6.7	178.5	0	0	0	0	0	115
262	D	90.6	Very high	95.8	Very high	113 Å²	113	54.5 Å²	54.5	60%	0.604	32%	0.316	S	S	*	.	S	Bend	trans	-104	12	175.2	60.6	1.3	0	0	0	113	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.45Å; D262-T264 WeakPolarHBondContact OD1-CB 3.5Å; D262-T264 PolarHBondContact OD1-N 2.99Å; D262-T264 PolarHBondContact OD1-OG1 2.66Å
263	G	88.7	Confident	95.9	Very high	41 Å²	41	53.4 Å²	53.4	42%	0.423	31%	0.309	S	S	.	.	S	Bend	trans	90.3	-1.8	-174.1	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.36Å
264	T	95	Very high	95.8	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.037	30%	0.298	C	S	.	.			trans	-104.7	172.8	174.6	73.6	0	0	0	0	112.6	F232 A260 D262	F232-T264 WeakPolarHBondContact O-CA 3.43Å; A260-T264 WeakPolarHBondContact CB-O 3.47Å; A260-T264 PolarHBondContact N-O 3.47Å; D262-T264 WeakPolarHBondContact OD1-CB 3.5Å; D262-T264 PolarHBondContact OD1-N 2.99Å; D262-T264 PolarHBondContact OD1-OG1 2.66Å
265	F	97.1	Very high	95.7	Very high	24 Å²	24	48.5 Å²	48.5	11%	0.105	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	162.9	-177.3	-63	-83.8	0	0	0	112.6	D54 G231 F232 Y233 T235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.81Å; D54-F265 HydrophobicContact CB-CZ 3.72Å; G231-F265 PolarHBondContact N-O 2.89Å; F232-F265 WeakPolarHBondContact CD1-O 3.28Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; 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 4.45Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 3.08Å; F232-F265 PolarHBondContact O-N 3.47Å; Y233-F265 HydrophobicContact CD2-CD2 4.48Å; Y233-F265 AromaticContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CE2-CE2 4.5Å; T235-F265 WeakPolarHBondContact OG1-CD1 3.42Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 4.03Å; T257-F265 HydrophobicContact CG2-CG 4.17Å; R258-F265 WeakPolarHBondContact O-CA 3.35Å; P259-F265 HydrophobicContact CB-CE1 4.35Å
266	Q	97.9	Very high	95.4	Very high	46 Å²	46	50.1 Å²	50.1	22%	0.215	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.9	174.4	39.7	163.8	-16.6	0	0	110.4	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.48Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 2.83Å; R258-Q266 WeakPolarHBondContact O-CG 3.33Å; R258-Q266 PolarHBondContact O-N 3.42Å
267	K	98.4	Very high	95.4	Very high	21 Å²	21	44.6 Å²	44.6	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.8	177	-162.4	-176.5	-171.2	69.5	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.74Å; A229-K267 PolarHBondContact O-N 3.13Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.34Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L254-K267 HydrophobicContact CD1-CD 4.46Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 WeakPolarHBondContact O-CE 3.19Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 2.84Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 3.4Å; T257-K267 VanDerWaalsContact OG1-NZ 3.14Å
268	W	98.1	Very high	95.3	Very high	24 Å²	24	43.5 Å²	43.5	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.8	169.1	59	-97.9	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.99Å; R226-W268 HydrophobicContact CG-CD2 4.08Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.19Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.45Å; C227-W268 WeakPolarHBondContact O-CB 3.23Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.69Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.43Å; V255-W268 HydrophobicContact CB-CD2 4.5Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 4.01Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.72Å; V255-W268 HydrophobicContact CG2-CE3 4.43Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.34Å; V255-W268 WeakPolarHBondContact CG2-O 3.49Å; V255-W268 PolarHBondContact N-O 2.97Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.2	Very high	95.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.7	173.7	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.45Å; C227-A269 PolarHBondContact N-O 2.82Å; C227-A269 PolarHBondContact O-N 3.26Å; L239-A269 HydrophobicContact CB-CB 4.03Å; L239-A269 HydrophobicContact CD2-CB 4.28Å; W241-A269 PolarHBondContact NE1-O 3.09Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.52Å; E253-A269 WeakPolarHBondContact O-CA 3.39Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
270	A	97.8	Very high	95.3	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.3	179.5	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.91Å; L225-A270 CarbonylContact O-C 3.51Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.14Å; T252-A270 CarbonylContact C-O 3.54Å; T252-A270 VanDerWaalsContact CA-O 3.3Å; T252-A270 WeakPolarHBondContact CA-O 3.48Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 3Å; E253-A270 PolarHBondContact O-N 2.86Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	97.7	Very high	95.4	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.5	176.3	63.4	0	0	0	0	109.1	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.46Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 2.81Å; L225-V271 PolarHBondContact O-N 3.13Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.02Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V271-Y281 HydrophobicContact CG1-CD1 4.02Å; V271-Y281 HydrophobicContact CG1-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.05Å
272	V	97.1	Very high	95.7	Very high	77 Å²	77	38.6 Å²	38.6	47%	0.467	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.7	171.8	-178.1	0	0	0	0	108.2	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; A223-V272 WeakPolarHBondContact O-CA 3.28Å
273	V	96.4	Very high	96.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146	-175.5	-52	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.43Å; A223-V273 HydrophobicContact CB-CG2 4.4Å; A223-V273 PolarHBondContact N-O 3.32Å; A223-V273 WeakPolarHBondContact O-CG2 3.31Å; A223-V273 PolarHBondContact O-N 3.45Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.09Å; L225-V273 HydrophobicContact CG-CG1 4.15Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V273-E278 HydrophobicContact CG2-CG 3.95Å; V273-Y281 HydrophobicContact CB-CD2 4.05Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.1	Very high	96.5	Very high	46 Å²	46	32.8 Å²	32.8	30%	0.299	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139.6	170.1	-19.7	32.1	0	0	0	111.4	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.5Å; P274-G276 PolarHBondContact O-N 2.81Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.2Å; P274-E277 PolarHBondContact O-N 3.08Å
275	S	92.4	Very high	96.6	Very high	56 Å²	56	32.5 Å²	32.5	39%	0.392	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	127.2	175.1	-63.2	0	0	0	0	110.9	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 2.87Å; D220-S275 VanDerWaalsContact O-OG 3.08Å; H221-S275 PolarHBondContact O-N 2.86Å; H221-S275 PolarHBondContact O-OG 2.85Å; E222-S275 PolarHBondContact N-OG 3.16Å; S275-E278 WeakPolarHBondContact CA-OE1 3.49Å
276	G	91.3	Very high	96.6	Very high	66 Å²	66	35.1 Å²	35.1	68%	0.68	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	-6.2	-178.4	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 2.81Å; G276-E278 WeakPolarHBondContact CA-OE2 3.24Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.85Å; G276-E278 PolarHBondContact N-OE2 3.36Å
277	E	95.3	Very high	96.4	Very high	56 Å²	56	33.1 Å²	33.1	26%	0.262	18%	0.183	S	C	.	.			trans	-100.8	4.6	175.7	-65.5	-160.1	-155.7	0	0	113.6	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.79Å; R243-E277 IonicContact NE-OE2 2.8Å; R243-E277 IonicContact NH2-OE1 2.67Å; R243-E277 IonicContact NH2-OE2 3.56Å; R243-E277 PolarHBondContact NH2-OE2 3.36Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.2Å; P274-E277 PolarHBondContact O-N 3.08Å; E277-Q279 PolarHBondContact O-N 2.87Å; E277-R280 WeakPolarHBondContact O-CB 3.24Å; E277-R280 PolarHBondContact O-N 3.27Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 IonicContact OE2-CZ 3.53Å; E277-R280 IonicContact OE2-NE 3.43Å; E277-R280 IonicContact OE2-NH1 3.85Å; E277-R280 PolarHBondContact OE2-NH1 2.83Å; E277-Y281 HydrophobicContact CB-CE2 4.44Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å
278	E	94.8	Very high	96	Very high	19 Å²	19	35.6 Å²	35.6	9%	0.089	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-57.4	-32.9	-171.1	-56.9	81.3	-177.9	0	0	112.6	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.3Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.34Å; V273-E278 HydrophobicContact CG2-CG 3.95Å; S275-E278 WeakPolarHBondContact CA-OE1 3.49Å; G276-E278 WeakPolarHBondContact CA-OE2 3.24Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 2.85Å; G276-E278 PolarHBondContact N-OE2 3.36Å; E278-R280 PolarHBondContact O-N 3.31Å; E278-Y281 PolarHBondContact O-N 3.25Å; E278-Y281 VanDerWaalsContact O-N 3.17Å; E278-W298 HydrophobicContact CB-CD2 4.42Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.85Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.78Å
279	Q	95	Very high	95.6	Very high	91 Å²	91	35.4 Å²	35.4	43%	0.425	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-72.5	-14.8	-179.1	-62.9	-57.5	-46.6	0	0	114.1	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 2.87Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-W298 PolarHBondContact NE2-O 2.94Å
280	R	96.6	Very high	95.4	Very high	99 Å²	99	36 Å²	36	37%	0.374	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-77.1	-16	172.6	-63.3	174.5	67.2	179.7	5.3	112.2	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.25Å; R243-R280 HydrophobicContact CG-CB 4.38Å; D244-R280 PolarHBondContact N-O 2.91Å; D244-R280 IonicContact OD1-NE 3.78Å; D244-R280 PolarHBondContact OD1-NE 3.31Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 3.99Å; D244-R280 PolarHBondContact OD2-NE 3.43Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 2.85Å; E277-R280 WeakPolarHBondContact O-CB 3.24Å; E277-R280 PolarHBondContact O-N 3.27Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 IonicContact OE2-CZ 3.53Å; E277-R280 IonicContact OE2-NE 3.43Å; E277-R280 IonicContact OE2-NH1 3.85Å; E277-R280 PolarHBondContact OE2-NH1 2.83Å; E278-R280 PolarHBondContact O-N 3.31Å
281	Y	97.4	Very high	95.1	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.027	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.8	-177.1	-68.9	-100.5	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.21Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.48Å; R243-Y281 HydrophobicContact CG-CE1 4.11Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å; V271-Y281 HydrophobicContact CG1-CD1 4.02Å; V271-Y281 HydrophobicContact CG1-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.05Å; V273-Y281 HydrophobicContact CB-CD2 4.05Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.44Å; E277-Y281 WeakPolarHBondContact O-CD2 3.39Å; E278-Y281 PolarHBondContact O-N 3.25Å; E278-Y281 VanDerWaalsContact O-N 3.17Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	97.9	Very high	94.8	Very high	12 Å²	12	49.2 Å²	49.2	7%	0.074	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.4	175.6	46.9	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3.17Å; Q242-T282 PolarHBondContact O-N 2.78Å; T282-H284 PolarHBondContact OG1-NE2 3.29Å; T282-T295 HydrophobicContact CG2-CG2 3.95Å; T282-L296 CarbonylContact C-O 3.51Å; T282-L296 WeakPolarHBondContact CA-O 3.4Å; T282-R297 HydrophobicContact CG2-CG 3.61Å; T282-R297 VanDerWaalsContact CG2-NE 3.29Å
283	C	98.1	Very high	94.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.1	169.9	174.6	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.37Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.81Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.39Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.07Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.37Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.13Å; C283-L296 PolarHBondContact O-N 3.03Å
284	H	97.8	Very high	94.7	Very high	33 Å²	33	51.2 Å²	51.2	15%	0.153	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.3	176.3	-63.7	-100.8	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.44Å; T240-H284 PolarHBondContact N-O 2.91Å; T240-H284 PolarHBondContact O-N 2.97Å; T240-H284 WeakPolarHBondContact OG1-CB 3.3Å; Q242-H284 PolarHBondContact OE1-NE2 2.88Å; T282-H284 PolarHBondContact OG1-NE2 3.29Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.29Å; H284-T295 PolarHBondContact CE1-OG1 2.83Å; H284-T295 PolarHBondContact ND1-OG1 3.28Å
285	V	97.8	Very high	94.7	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.1	-178.1	-175	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.3Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.27Å; V285-P293 WeakPolarHBondContact O-CA 3.39Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.28Å; V285-L294 PolarHBondContact O-N 2.87Å; V285-L296 HydrophobicContact CG2-CD1 3.84Å
286	Q	96.4	Very high	94.9	Very high	79 Å²	79	52 Å²	52	37%	0.369	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.6	174.5	-56.2	177.7	15.5	0	0	108.9	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; T238-Q286 PolarHBondContact N-O 3.24Å; T238-Q286 PolarHBondContact O-N 2.9Å; Q286-P293 HydrophobicContact CG-CB 4Å; Q286-P293 HydrophobicContact CG-CG 4.12Å
287	H	94.5	Very high	95.2	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.014	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	138.2	-175.8	-179	-96	0	0	0	110.4	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.1Å; W23-H287 WeakPolarHBondContact CZ3-O 3.38Å; E207-H287 PolarHBondContact O-CE1 3.11Å; P209-H287 HydrophobicContact CG-CB 4.02Å; F232-H287 AromaticContact CD2-CD2 3.73Å; F232-H287 AromaticContact CD2-NE2 3.64Å; Y233-H287 PolarHBondContact O-CE1 2.98Å; P234-H287 PolarHBondContact O-NE2 2.79Å; E236-H287 PolarHBondContact O-CD2 3.25Å; I237-H287 HydrophobicContact CD1-CB 4.12Å; I237-H287 HydrophobicContact CG1-CB 3.97Å; H287-G289 PolarHBondContact CE1-N 3.06Å; H287-G289 PolarHBondContact ND1-N 2.84Å; H287-G289 PolarHBondContact O-N 3.21Å; H287-L290 HydrophobicContact CB-CD1 4.05Å; H287-L290 HydrophobicContact CB-CG 4.32Å; H287-L290 WeakPolarHBondContact O-CB 3.35Å; H287-L290 PolarHBondContact O-N 3.38Å
288	E	90.3	Very high	95.2	Very high	74 Å²	74	55.3 Å²	55.3	35%	0.346	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-28.5	-176	-167.2	-179.2	160.7	0	0	115.5	W23 C25 A206 P234 L290	W23-E288 HydrophobicContact CE3-CB 4.28Å; W23-E288 HydrophobicContact CE3-CG 4.02Å; W23-E288 VanDerWaalsContact CH2-CA 3.48Å; W23-E288 HydrophobicContact CZ3-CB 4.32Å; W23-E288 HydrophobicContact CZ3-CG 4.41Å; W23-E288 WeakPolarHBondContact CZ3-O 3.34Å; C25-E288 PolarHBondContact SG-OE1 2.94Å; A206-E288 HydrophobicContact CB-CG 4.46Å; P234-E288 HydrophobicContact CG-CB 4.46Å; P234-E288 WeakPolarHBondContact CG-OE2 3.48Å; E288-L290 VanDerWaalsContact C-N 3.25Å; E288-L290 PolarHBondContact O-N 3.01Å
289	G	89.9	Confident	94.9	Very high	20 Å²	20	62.3 Å²	62.3	21%	0.206	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.7	177.7	0	0	0	0	0	114.8	H287	H287-G289 PolarHBondContact CE1-N 3.06Å; H287-G289 PolarHBondContact ND1-N 2.84Å; H287-G289 PolarHBondContact O-N 3.21Å
290	L	92.8	Very high	94.3	Very high	13 Å²	13	61.7 Å²	61.7	7%	0.068	31%	0.314	C	S	.	.			trans	-99.7	128.2	-177.3	-65.9	170.8	0	0	0	111.4	W23 H208 P209 V285 H287 E288 E292 L294	W23-L290 HydrophobicContact CH2-CB 4.46Å; W23-L290 WeakPolarHBondContact CH2-O 3.47Å; W23-L290 WeakPolarHBondContact CZ3-O 3.44Å; H208-L290 HydrophobicContact CB-CD2 3.94Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.27Å; H287-L290 HydrophobicContact CB-CD1 4.05Å; H287-L290 HydrophobicContact CB-CG 4.32Å; H287-L290 WeakPolarHBondContact O-CB 3.35Å; H287-L290 PolarHBondContact O-N 3.38Å; E288-L290 VanDerWaalsContact C-N 3.25Å; E288-L290 PolarHBondContact O-N 3.01Å; L290-E292 PolarHBondContact O-N 2.99Å; L290-L294 HydrophobicContact CD1-CD1 3.98Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.46Å; L290-L294 HydrophobicContact CD2-CG 3.9Å; L290-L294 HydrophobicContact CG-CD1 4.5Å
291	P	90.8	Very high	92.8	Very high	132 Å²	132	61.6 Å²	61.6	86%	0.857	33%	0.328	S	S	*	.	S	Bend	trans	-65.4	-31	175.4	27	-34	0	0	0	112.4
292	E	92	Very high	90.5	Very high	150 Å²	150	66.6 Å²	66.6	70%	0.701	36%	0.364	S	S	*	.	S	Bend	trans	-141.4	149.4	175.5	-66.3	-176.7	178	0	0	109.5	L290 L294	L290-E292 PolarHBondContact O-N 2.99Å; E292-L294 PolarHBondContact O-N 2.8Å
293	P	94.8	Very high	88	Confident	60 Å²	60	73.6 Å²	73.6	39%	0.39	40%	0.396	S	S	.	.			trans	-54.5	136.1	174.3	-27.5	36.3	0	0	0	112.8	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.39Å; Q286-P293 HydrophobicContact CG-CB 4Å; Q286-P293 HydrophobicContact CG-CG 4.12Å
294	L	96.4	Very high	85.5	Confident	60 Å²	60	78.6 Å²	78.6	31%	0.314	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	140.9	176	-63.6	177.5	0	0	0	110.6	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.3Å; H284-L294 CarbonylContact C-O 3.56Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.29Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.28Å; V285-L294 PolarHBondContact O-N 2.87Å; L290-L294 HydrophobicContact CD1-CD1 3.98Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.46Å; L290-L294 HydrophobicContact CD2-CG 3.9Å; L290-L294 HydrophobicContact CG-CD1 4.5Å; E292-L294 PolarHBondContact O-N 2.8Å
295	T	97.3	Very high	83.2	Confident	83 Å²	83	83.4 Å²	83.4	51%	0.509	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.6	170.8	-56.8	0	0	0	0	108.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.95Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.37Å; H284-T295 PolarHBondContact CE1-OG1 2.83Å; H284-T295 PolarHBondContact ND1-OG1 3.28Å
296	L	96.9	Very high	81.2	Confident	34 Å²	34	88.3 Å²	88.3	18%	0.178	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.2	-174.1	-61.8	144.7	0	0	0	110	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.48Å; T211-L296 HydrophobicContact CG2-CD1 4.11Å; V213-L296 HydrophobicContact CG2-CB 3.87Å; T282-L296 CarbonylContact C-O 3.51Å; T282-L296 WeakPolarHBondContact CA-O 3.4Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.13Å; C283-L296 PolarHBondContact O-N 3.03Å; V285-L296 HydrophobicContact CG2-CD1 3.84Å
297	R	95.9	Very high	79.4	Confident	145 Å²	145	88.7 Å²	88.7	55%	0.547	50%	0.495	S	S	.	.			trans	-117.7	161.9	166.6	-70.7	-175.3	177.5	157.7	0.4	109.3	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.61Å; T282-R297 VanDerWaalsContact CG2-NE 3.29Å; R297-E299 PolarHBondContact O-N 2.81Å
298	W	95.5	Very high	77.8	Confident	47 Å²	47	94.2 Å²	94.2	18%	0.178	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-69.8	122	168	170.6	57.3	0	0	0	110.1	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.83Å; H215-W298 HydrophobicContact CB-CD2 4.12Å; H215-W298 HydrophobicContact CB-CG 4.14Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.83Å; L225-W298 HydrophobicContact CD1-CB 4.45Å; L225-W298 HydrophobicContact CD2-CB 3.85Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 3.99Å; E278-W298 HydrophobicContact CB-CD2 4.42Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.85Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.78Å; Q279-W298 PolarHBondContact NE2-O 2.94Å; W298-P300 HydrophobicContact CE3-CG 4.4Å; W298-P300 HydrophobicContact CH2-CB 4.27Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 4.06Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.09Å
299	E	89.1	Confident	76.5	Confident	166 Å²	166	96.6 Å²	96.6	78%	0.776	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-99.7	119.9	169.8	-73.3	-178.5	178.8	0	0	109.4	R297 S301	R297-E299 PolarHBondContact O-N 2.81Å; E299-S301 PolarHBondContact O-N 3.16Å
300	P	81.3	Confident	75.4	Confident	78 Å²	78	97.7 Å²	97.7	51%	0.506	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-59.2	126.7	171	-19.5	30.4	0	0	0	109	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.4Å; W298-P300 HydrophobicContact CH2-CB 4.27Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 4.06Å; W298-P300 HydrophobicContact CZ2-CG 4.06Å; W298-P300 HydrophobicContact CZ3-CG 4.09Å; P300-S302 PolarHBondContact O-N 3.28Å
301	S	65.6	Low	74.5	Confident	97 Å²	97	101.6 Å²	101.6	68%	0.678	57%	0.574	S	S	*	*			trans	-51	105.9	176.6	140.3	0	0	0	0	110	E299 Q303	E299-S301 PolarHBondContact O-N 3.16Å; S301-Q303 PolarHBondContact O-N 3.44Å
302	S	49.2	Very low	73.8	Confident	112 Å²	112	99.6 Å²	99.6	78%	0.783	56%	0.559	S	S	*	*			trans	-79.4	65.6	166.3	61.1	0	0	0	0	108.4	P300 P304	P300-S302 PolarHBondContact O-N 3.28Å; S302-P304 WeakPolarHBondContact O-CD 3.47Å
303	Q	45.8	Very low	73	Confident	160 Å²	160	95 Å²	95	75%	0.748	55%	0.546	S	S	*	.			trans	-70.1	111.7	154.5	-80.8	-169.3	-13.9	0	0	105.2	S301 T305	S301-Q303 PolarHBondContact O-N 3.44Å; Q303-T305 PolarHBondContact O-N 3.21Å
304	P	45	Very low	72.3	Confident	105 Å²	105	93.8 Å²	93.8	68%	0.682	55%	0.545	S	S	*	.			trans	-59.3	116	165.3	25.2	-29.6	0	0	0	105.1	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.47Å; P304-I306 PolarHBondContact O-N 3.43Å
305	T	50.9	Low	71.8	Confident	134 Å²	134	96.1 Å²	96.1	82%	0.822	56%	0.557	S	S	*	*			trans	-62.1	82.3	160	-43.4	0	0	0	0	105.1	Q303 P307	Q303-T305 PolarHBondContact O-N 3.21Å; T305-P307 VanDerWaalsContact O-CD 3.26Å; T305-P307 WeakPolarHBondContact O-CD 3.13Å
306	I	55.5	Low	71.1	Confident	102 Å²	102	94.8 Å²	94.8	52%	0.523	56%	0.555	S	S	.	*			trans	-51.6	118.5	166.6	-63.5	175.4	0	0	0	102.9	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.43Å; I306-I308 PolarHBondContact O-N 2.9Å; I306-I311 HydrophobicContact CG2-CD1 3.82Å
307	P	58.2	Low	70.5	Confident	87 Å²	87	97.3 Å²	97.3	57%	0.565	57%	0.571	S	S	*	*			trans	-72.8	81.6	-175.9	28.8	-32.5	0	0	0	106.7	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.26Å; T305-P307 WeakPolarHBondContact O-CD 3.13Å; P307-V309 PolarHBondContact O-N 3.49Å; P307-V309 VanDerWaalsContact O-N 3.15Å; P307-G310 WeakPolarHBondContact O-CA 3.29Å; P307-G310 PolarHBondContact O-N 3.05Å; P307-I311 PolarHBondContact O-N 3.43Å; P307-I311 VanDerWaalsContact O-N 3.13Å
308	I	61	Low	69.9	Low	120 Å²	120	96 Å²	96	62%	0.615	57%	0.574	S	S	*	*	H	α-helix	trans	-54.5	-34.9	177.7	-66.7	168.2	0	0	0	108.4	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.9Å; I308-G310 PolarHBondContact O-N 2.94Å; I308-I311 PolarHBondContact O-N 2.67Å; I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.19Å; I308-V312 WeakPolarHBondContact O-CG2 3.35Å; I308-V312 PolarHBondContact O-N 2.72Å
309	V	62.7	Low	69.4	Low	123 Å²	123	96.3 Å²	96.3	75%	0.745	59%	0.587	S	S	*	*	H	α-helix	trans	-60.5	-41.4	172.6	178.5	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.49Å; P307-V309 VanDerWaalsContact O-N 3.15Å; V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.31Å; V309-A313 PolarHBondContact O-N 2.88Å
310	G	66.8	Low	69.2	Low	43 Å²	43	92.7 Å²	92.7	44%	0.443	58%	0.576	S	S	.	*	H	α-helix	trans	-69.1	-38.5	179.3	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.29Å; P307-G310 PolarHBondContact O-N 3.05Å; I308-G310 PolarHBondContact O-N 2.94Å; G310-G314 PolarHBondContact O-N 3.34Å
311	I	73.5	Confident	69.4	Low	96 Å²	96	93.8 Å²	93.8	49%	0.492	58%	0.577	S	S	.	*	H	α-helix	trans	-69.2	-44.2	176.3	-61.5	174.7	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.82Å; P307-I311 PolarHBondContact O-N 3.43Å; P307-I311 VanDerWaalsContact O-N 3.13Å; I308-I311 PolarHBondContact O-N 2.67Å; I311-G314 PolarHBondContact O-N 3.29Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.44Å; I311-L315 WeakPolarHBondContact O-CG 3.39Å; I311-L315 PolarHBondContact O-N 2.95Å
312	V	75.4	Confident	70.2	Confident	90 Å²	90	92.3 Å²	92.3	55%	0.545	57%	0.571	S	S	.	*	H	α-helix	trans	-65.1	-42.7	178.3	172.8	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.27Å; I308-V312 WeakPolarHBondContact O-CB 3.19Å; I308-V312 WeakPolarHBondContact O-CG2 3.35Å; I308-V312 PolarHBondContact O-N 2.72Å; V312-L315 PolarHBondContact O-N 3.28Å; V312-A316 WeakPolarHBondContact O-CB 3.37Å; V312-A316 PolarHBondContact O-N 2.88Å
313	A	75.4	Confident	71.7	Confident	52 Å²	52	91.6 Å²	91.6	43%	0.43	56%	0.562	S	S	.	*	H	α-helix	trans	-63.4	-43.2	175.1	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.31Å; V309-A313 PolarHBondContact O-N 2.88Å; A313-A316 PolarHBondContact O-N 2.9Å; A313-V317 WeakPolarHBondContact O-CG2 3.36Å; A313-V317 PolarHBondContact O-N 3.28Å
314	G	81.1	Confident	73.4	Confident	35 Å²	35	88.7 Å²	88.7	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-61.7	-43.8	176.9	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.34Å; I311-G314 PolarHBondContact O-N 3.29Å; G314-V317 PolarHBondContact O-N 2.73Å; G314-L318 PolarHBondContact O-N 3.44Å
315	L	84.9	Confident	75.1	Confident	110 Å²	110	85.6 Å²	85.6	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-67	-38.3	176.9	-72.3	172.9	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.44Å; I311-L315 WeakPolarHBondContact O-CG 3.39Å; I311-L315 PolarHBondContact O-N 2.95Å; V312-L315 PolarHBondContact O-N 3.28Å; L315-L318 PolarHBondContact O-N 3.21Å; L315-A319 WeakPolarHBondContact O-CB 3.23Å; L315-A319 PolarHBondContact O-N 3.09Å
316	A	82.4	Confident	76.5	Confident	55 Å²	55	81.8 Å²	81.8	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-63.2	-43.1	175.6	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.37Å; V312-A316 PolarHBondContact O-N 2.88Å; A313-A316 PolarHBondContact O-N 2.9Å; A316-A319 PolarHBondContact O-N 3.32Å; A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 3.2Å
317	V	84.6	Confident	77.6	Confident	87 Å²	87	80.9 Å²	80.9	53%	0.527	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-44.2	176.4	173.2	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.36Å; A313-V317 PolarHBondContact O-N 3.28Å; G314-V317 PolarHBondContact O-N 2.73Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.02Å; V317-V320 PolarHBondContact O-N 3.44Å; V317-L321 HydrophobicContact CG1-CD1 4.01Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.37Å; V317-L321 PolarHBondContact O-N 3.19Å
318	L	84.8	Confident	78.5	Confident	116 Å²	116	80.7 Å²	80.7	61%	0.607	52%	0.516	S	S	*	.	H	α-helix	trans	-61.2	-41.3	176.3	-83.8	165.2	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.44Å; L315-L318 PolarHBondContact O-N 3.21Å; L318-L321 PolarHBondContact O-N 3.41Å; L318-A322 WeakPolarHBondContact O-CB 3.43Å; L318-A322 PolarHBondContact O-N 3.13Å
319	A	84.6	Confident	79.1	Confident	55 Å²	55	77.5 Å²	77.5	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-43.6	176.4	0	0	0	0	0	111.8	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.23Å; L315-A319 PolarHBondContact O-N 3.09Å; A316-A319 PolarHBondContact O-N 3.32Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.02Å; A319-A322 PolarHBondContact O-N 3.49Å; A319-V323 WeakPolarHBondContact O-CG2 3.38Å; A319-V323 PolarHBondContact O-N 3Å
320	V	84.7	Confident	79.7	Confident	89 Å²	89	75.5 Å²	75.5	54%	0.539	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-43.9	176.5	172.1	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.45Å; A316-V320 PolarHBondContact O-N 3.2Å; V317-V320 PolarHBondContact O-N 3.44Å; V320-A322 PolarHBondContact O-N 3Å; V320-V323 PolarHBondContact O-N 2.94Å; V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 WeakPolarHBondContact O-CG 3.33Å; V320-L324 PolarHBondContact O-N 3.41Å
321	L	84.9	Confident	80	Confident	102 Å²	102	77.4 Å²	77.4	53%	0.534	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-38.9	177.4	-70.8	174.2	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.01Å; V317-L321 HydrophobicContact CG1-CG 4.41Å; V317-L321 WeakPolarHBondContact O-CG 3.37Å; V317-L321 PolarHBondContact O-N 3.19Å; L318-L321 PolarHBondContact O-N 3.41Å; L321-L324 PolarHBondContact O-N 3.23Å; L321-G325 PolarHBondContact O-N 2.9Å
322	A	82.6	Confident	79.9	Confident	66 Å²	66	79 Å²	79	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-64.3	-42.1	175.8	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.43Å; L318-A322 PolarHBondContact O-N 3.13Å; A319-A322 PolarHBondContact O-N 3.49Å; V320-A322 PolarHBondContact O-N 3Å; A322-G325 PolarHBondContact O-N 3.35Å; A322-A326 WeakPolarHBondContact O-CB 3.48Å; A322-A326 PolarHBondContact O-N 2.96Å
323	V	81.8	Confident	79.2	Confident	96 Å²	96	79 Å²	79	58%	0.582	51%	0.508	S	S	*	.	H	α-helix	trans	-64.5	-45.1	175.9	173.2	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.38Å; A319-V323 PolarHBondContact O-N 3Å; V320-V323 PolarHBondContact O-N 2.94Å; V323-G325 PolarHBondContact O-N 3.34Å; V323-A326 PolarHBondContact O-N 3.47Å; V323-V327 HydrophobicContact CG1-CG2 4.48Å; V323-V327 VanDerWaalsContact O-CG2 3.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 2.76Å
324	L	81.4	Confident	78.6	Confident	99 Å²	99	85.6 Å²	85.6	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-61.5	-43.5	175.9	-73.9	168.9	0	0	0	111.7	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.96Å; V320-L324 WeakPolarHBondContact O-CG 3.33Å; V320-L324 PolarHBondContact O-N 3.41Å; L321-L324 PolarHBondContact O-N 3.23Å; L324-A326 PolarHBondContact O-N 2.91Å; L324-V327 PolarHBondContact O-N 3.39Å; L324-V328 WeakPolarHBondContact O-CG2 3.07Å; L324-V328 PolarHBondContact O-N 2.72Å
325	G	80.8	Confident	77.4	Confident	41 Å²	41	93.9 Å²	93.9	42%	0.423	54%	0.543	S	S	.	.	H	α-helix	trans	-59.7	-43.5	175	0	0	0	0	0	112.7	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 2.9Å; A322-G325 PolarHBondContact O-N 3.35Å; V323-G325 PolarHBondContact O-N 3.34Å; G325-V328 PolarHBondContact O-N 3.27Å; G325-A329 WeakPolarHBondContact O-CB 3.49Å; G325-A329 PolarHBondContact O-N 3.46Å
326	A	78.8	Confident	75.8	Confident	54 Å²	54	97.4 Å²	97.4	45%	0.446	55%	0.553	S	S	.	*	H	α-helix	trans	-64.5	-41.8	176	0	0	0	0	0	112.2	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.48Å; A322-A326 PolarHBondContact O-N 2.96Å; V323-A326 PolarHBondContact O-N 3.47Å; L324-A326 PolarHBondContact O-N 2.91Å; A326-A329 PolarHBondContact O-N 3.15Å; A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.16Å; A326-V330 PolarHBondContact O-N 2.6Å
327	V	79.2	Confident	74.3	Confident	82 Å²	82	99.3 Å²	99.3	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-63.3	-44.8	176.4	171.7	0	0	0	0	110.8	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.48Å; V323-V327 VanDerWaalsContact O-CG2 3.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 2.76Å; L324-V327 PolarHBondContact O-N 3.39Å; V327-A329 PolarHBondContact O-N 2.62Å; V327-V330 PolarHBondContact O-N 2.72Å; V327-V331 HydrophobicContact CG1-CG2 4.38Å; V327-V331 WeakPolarHBondContact O-CB 3.44Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.46Å; V327-V331 PolarHBondContact O-N 3.26Å
328	V	77.8	Confident	72.6	Confident	84 Å²	84	100.1 Å²	100.1	51%	0.509	57%	0.573	S	S	.	*	H	α-helix	trans	-61.7	-44	176.1	172.6	0	0	0	0	110.9	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.07Å; L324-V328 PolarHBondContact O-N 2.72Å; G325-V328 PolarHBondContact O-N 3.27Å; V328-V330 PolarHBondContact O-N 2.97Å; V328-V331 PolarHBondContact O-N 3.12Å; V328-M332 HydrophobicContact CG1-CG 4.38Å; V328-M332 HydrophobicContact CG1-SD 4.2Å; V328-M332 WeakPolarHBondContact O-CB 3.31Å; V328-M332 WeakPolarHBondContact O-CG 3.41Å; V328-M332 PolarHBondContact O-N 3.31Å
329	A	73.8	Confident	70.6	Confident	53 Å²	53	97.6 Å²	97.6	44%	0.438	58%	0.575	S	S	.	*	H	α-helix	trans	-61.2	-43.3	176.6	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.49Å; G325-A329 PolarHBondContact O-N 3.46Å; A326-A329 PolarHBondContact O-N 3.15Å; V327-A329 PolarHBondContact O-N 2.62Å; A329-M332 PolarHBondContact O-N 2.74Å; A329-C333 WeakPolarHBondContact O-CB 3.11Å; A329-C333 PolarHBondContact O-N 3.35Å; A329-C333 PolarHBondContact O-SG 3.04Å
330	V	74.1	Confident	68.4	Low	81 Å²	81	98.7 Å²	98.7	49%	0.491	59%	0.591	S	S	.	*	H	α-helix	trans	-65.3	-41.6	176.3	170.3	0	0	0	0	111.5	A326 V327 V328 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.3Å; A326-V330 WeakPolarHBondContact O-CG2 3.16Å; A326-V330 PolarHBondContact O-N 2.6Å; V327-V330 PolarHBondContact O-N 2.72Å; V328-V330 PolarHBondContact O-N 2.97Å; V330-C333 PolarHBondContact O-N 2.72Å; V330-R334 WeakPolarHBondContact O-CB 3.42Å; V330-R334 WeakPolarHBondContact O-CG 3.37Å; V330-R334 PolarHBondContact O-N 2.86Å
331	V	72.9	Confident	66	Low	82 Å²	82	105 Å²	105	50%	0.497	61%	0.611	S	S	.	*	H	α-helix	trans	-66.5	-40.5	177.3	171.1	0	0	0	0	111.1	V327 V328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.38Å; V327-V331 WeakPolarHBondContact O-CB 3.44Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.46Å; V327-V331 PolarHBondContact O-N 3.26Å; V328-V331 PolarHBondContact O-N 3.12Å; V331-R334 PolarHBondContact O-N 3.33Å; V331-R335 WeakPolarHBondContact O-CB 3.23Å; V331-R335 PolarHBondContact O-N 3.04Å
332	M	71.3	Confident	63.5	Low	129 Å²	129	104.1 Å²	104.1	64%	0.635	63%	0.627	S	S	*	*	H	α-helix	trans	-66.4	-41.1	174.6	-73.5	-171.1	71.8	0	0	112.1	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.38Å; V328-M332 HydrophobicContact CG1-SD 4.2Å; V328-M332 WeakPolarHBondContact O-CB 3.31Å; V328-M332 WeakPolarHBondContact O-CG 3.41Å; V328-M332 PolarHBondContact O-N 3.31Å; A329-M332 PolarHBondContact O-N 2.74Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 3.06Å; M332-R335 PolarHBondContact O-N 2.93Å; M332-K336 WeakPolarHBondContact O-CB 3.3Å; M332-K336 PolarHBondContact O-N 3.14Å
333	C	62.4	Low	61.1	Low	90 Å²	90	104.9 Å²	104.9	61%	0.608	64%	0.642	S	S	*	*	H	α-helix	trans	-62.4	-37.9	172.8	-81.5	0	0	0	0	112.1	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.11Å; A329-C333 PolarHBondContact O-N 3.35Å; A329-C333 PolarHBondContact O-SG 3.04Å; V330-C333 PolarHBondContact O-N 2.72Å; C333-K336 PolarHBondContact O-N 3.1Å; C333-S337 PolarHBondContact O-N 3.15Å; C333-S337 VanDerWaalsContact O-N 3.12Å; C333-S337 PolarHBondContact O-OG 3.17Å
334	R	61.2	Low	58.9	Low	191 Å²	191	105.9 Å²	105.9	72%	0.721	65%	0.653	S	S	*	*	H	α-helix	trans	-72.3	-31	174.7	-78.9	-173.5	150.5	168.5	-4.1	113.7	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.42Å; V330-R334 WeakPolarHBondContact O-CG 3.37Å; V330-R334 PolarHBondContact O-N 2.86Å; V331-R334 PolarHBondContact O-N 3.33Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 3.06Å; R334-K336 VanDerWaalsContact C-N 3.34Å; R334-S337 PolarHBondContact O-OG 3.18Å
335	R	57.1	Low	56.6	Low	209 Å²	209	106.7 Å²	106.7	79%	0.789	67%	0.665	S	S	*	*	H	α-helix	trans	-72	-28.6	170.9	-112.1	-178.3	174.3	175	-1.1	112.5	V331 M332	V331-R335 WeakPolarHBondContact O-CB 3.23Å; V331-R335 PolarHBondContact O-N 3.04Å; M332-R335 PolarHBondContact O-N 2.93Å
336	K	49.8	Very low	54.2	Low	185 Å²	185	110.4 Å²	110.4	80%	0.804	69%	0.685	S	S	*	*	H	α-helix	trans	-83.8	-19.7	179.1	-163.1	167.6	-179.2	178	0	113.3	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.3Å; M332-K336 PolarHBondContact O-N 3.14Å; C333-K336 PolarHBondContact O-N 3.1Å; R334-K336 VanDerWaalsContact C-N 3.34Å
337	S	51.7	Low	52.3	Low	94 Å²	94	116.9 Å²	116.9	66%	0.657	71%	0.706	S	S	*	*	S	Bend	trans	-90.6	2.4	178.3	58	0	0	0	0	115.4	C333 R334	C333-S337 PolarHBondContact O-N 3.15Å; C333-S337 VanDerWaalsContact O-N 3.12Å; C333-S337 PolarHBondContact O-OG 3.17Å; R334-S337 PolarHBondContact O-OG 3.18Å
338	S	49.2	Very low	49.9	Very low	105 Å²	105	117.4 Å²	117.4	73%	0.734	72%	0.719	S	S	*	*	S	Bend	trans	-94.4	23.1	173.6	74.1	0	0	0	0	114.4
339	G	43	Very low	47.7	Very low	63 Å²	63	117.6 Å²	117.6	65%	0.649	73%	0.729	S	S	*	*	S	Bend	trans	-151	93.9	177.8	0	0	0	0	0	114.1
340	G	37.5	Very low	46	Very low	77 Å²	77	120.4 Å²	120.4	79%	0.794	75%	0.746	S	S	*	*			trans	81.9	89.8	142.3	0	0	0	0	0	120.6
341	K	34.4	Very low	44	Very low	221 Å²	221	122.4 Å²	122.4	96%	0.961	76%	0.763	S	S	*	*				45.5	118.3	122	-146.8	157	-175.1	172.2	0	121.1
342	G	33.8	Very low	42.4	Very low	84 Å²	84	126.3 Å²	126.3	87%	0.866	78%	0.781	S	S	*	*			trans	137.3	121.1	135.9	0	0	0	0	0	117.7
343	G	31	Very low	40.8	Very low	83 Å²	83	125.6 Å²	125.6	86%	0.856	79%	0.789	S	S	*	*			trans	132.9	93.1	147.6	0	0	0	0	0	119.7
344	S	36.1	Very low	39.6	Very low	116 Å²	116	125.9 Å²	125.9	81%	0.811	80%	0.798	S	S	*	*			trans	-20.3	129.7	159.4	-168.5	0	0	0	0	119.4
345	C	32.3	Very low	38.4	Very low	116 Å²	116	126.6 Å²	126.6	78%	0.784	81%	0.809	S	S	*	*				75.5	130.2	96.8	-141.1	0	0	0	0	113.8
346	S	32.1	Very low	37	Very low	120 Å²	120	120.1 Å²	120.1	84%	0.839	81%	0.808	S	S	*	*				-171.7	174	62.6	46.6	0	0	0	0	114.1
347	Q	37.4	Very low	36.5	Very low	190 Å²	190	116.8 Å²	116.8	89%	0.888	81%	0.808	S	S	*	*			trans	-113.8	146.9	-164.7	-179.3	-175.9	12.3	0	0	111.7
348	A	28.6	Very low	35.8	Very low	92 Å²	92	119.9 Å²	119.9	76%	0.76	82%	0.817	S	S	*	*			trans	-175.3	111.4	147.9	0	0	0	0	0	108.7
349	A	33.1	Very low	34.9	Very low	89 Å²	89	123.7 Å²	123.7	74%	0.736	82%	0.823	S	S	*	*				62.9	94.4	80.7	0	0	0	0	0	113
350	S	38.3	Very low	34.4	Very low	112 Å²	112	125 Å²	125	78%	0.783	82%	0.822	S	S	*	*				80.2	130.3	94.8	76.8	0	0	0	0	115.9
351	S	31.6	Very low	34.3	Very low	122 Å²	122	129.2 Å²	129.2	85%	0.853	83%	0.826	S	S	*	*			trans	-173.5	139.4	131.5	38.4	0	0	0	0	113.5
352	N	38.7	Very low	34.3	Very low	164 Å²	164	126.1 Å²	126.1	88%	0.877	82%	0.818	S	S	*	*			trans	-92.3	156.6	166.5	-85.9	-24.3	0	0	0	110.6
353	S	37.2	Very low	34.4	Very low	115 Å²	115	126.8 Å²	126.8	80%	0.804	82%	0.815	S	S	*	*			trans	-169.5	118.5	148.4	1.9	0	0	0	0	106.7
354	A	37.8	Very low	34.4	Very low	96 Å²	96	128.7 Å²	128.7	79%	0.793	81%	0.814	S	S	*	*				87.5	136.5	59.2	0	0	0	0	0	114.5
355	Q	35	Very low	34.3	Very low	205 Å²	205	133.2 Å²	133.2	96%	0.958	82%	0.819	S	S	*	*			trans	88.8	131.5	165.7	-133.6	156.4	20.5	0	0	115.9
356	G	28.2	Very low	34.3	Very low	73 Å²	73	136 Å²	136	75%	0.753	85%	0.85	S	S	*	*			cis	-168.6	175.1	19	0	0	0	0	0	112.3
357	S	40.2	Very low	34.4	Very low	115 Å²	115	136.8 Å²	136.8	80%	0.804	85%	0.851	S	S	*	*			trans	-94.3	163.6	-174.9	-40.3	0	0	0	0	114.1
358	D	36.7	Very low	34.3	Very low	159 Å²	159	133.9 Å²	133.9	85%	0.85	85%	0.849	S	S	*	*			trans	68.4	118.9	162.6	-64.7	-20.6	0	0	0	119.9
359	E	30.2	Very low	34.6	Very low	186 Å²	186	136.3 Å²	136.3	87%	0.869	85%	0.854	S	S	*	*				179.6	158.9	92.1	-129.5	-172.9	162.5	0	0	111.8
360	S	31.7	Very low	34.7	Very low	90 Å²	90	139.1 Å²	139.1	63%	0.629	86%	0.861	S	S	*	*			trans	-53.4	149.7	179.1	54.2	0	0	0	0	116.7
361	L	35.6	Very low	34.4	Very low	165 Å²	165	140.8 Å²	140.8	86%	0.864	87%	0.865	S	S	*	*				-179	149.2	119.3	-98.3	162.4	0	0	0	113.4
362	I	35.8	Very low	34.6	Very low	156 Å²	156	142 Å²	142	80%	0.8	87%	0.866	S	S	*	*			trans	-66	141.6	-178.5	-67	157.2	0	0	0	112.3
363	A	34.1	Very low	34.3	Very low	98 Å²	98	140.4 Å²	140.4	81%	0.81	87%	0.866	S	S	*	*			trans	-164.8	126.7	141.8	0	0	0	0	0	112.6
364	C	32	Very low	34.1	Very low	123 Å²	123	142.4 Å²	142.4	83%	0.831	87%	0.87	S	S	*	*			trans	-79.8	145.4	169.9	-71.4	0	0	0	0	112.8
365	K	33.5	Very low	33.8	Very low	212 Å²	212	146.3 Å²	146.3	92%	0.922	88%	0.877	S	S	*	*			trans	157.9	135.1	139.8	-94.9	176.4	174.8	177.9	0	107.1
366	A	32.7	Very low	33.7	Very low	173 Å²	173	140.9 Å²	140.9	100%	1.43	87%	0.869	S	S	*	*			cis	-139	0	20.3	0	0	0	0	0	111.1

Retrieved 366 of 366 residues in 1614.3 ms (Link to these results)

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