A0A090KM67_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KM67, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	43.8	Very low	240 Å²	240	144.5 Å²	144.5	100%	1.182	73%	0.726	S	S	*	*				0	101.2	0	-74.4	166.3	168.2	0	0	108
2	R	35.7	Very low	44	Very low	250 Å²	250	143.5 Å²	143.5	94%	0.943	72%	0.724	S	S	*	*			trans	-87.1	109.9	170.6	-99.1	-179.4	174.3	167	-2	106.6	M4	R2-M4 PolarHBondContact O-N 3.14Å; R2-M4 VanDerWaalsContact O-N 3.14Å
3	V	39	Very low	43.6	Very low	139 Å²	139	140.3 Å²	140.3	84%	0.842	71%	0.709	S	S	*	*			trans	-73.3	102.3	170.9	179.9	0	0	0	0	106.6	A5	V3-A5 PolarHBondContact O-N 3.22Å
4	M	40.8	Very low	43.5	Very low	177 Å²	177	134.9 Å²	134.9	87%	0.872	69%	0.691	S	S	*	*			trans	-71.4	103.1	165.3	-91.4	168.7	48.5	0	0	107.3	R2	R2-M4 PolarHBondContact O-N 3.14Å; R2-M4 VanDerWaalsContact O-N 3.14Å
5	A	46	Very low	43.4	Very low	66 Å²	66	128.2 Å²	128.2	55%	0.545	67%	0.668	S	S	.	*			trans	-62.2	134.7	162.2	0	0	0	0	0	108.2	V3 R7	V3-A5 PolarHBondContact O-N 3.22Å; A5-R7 PolarHBondContact O-N 3.28Å
6	P	45.8	Very low	43.1	Very low	70 Å²	70	123.6 Å²	123.6	46%	0.455	65%	0.654	S	S	.	*			trans	-68.1	124.8	-177.1	19.4	-18.2	0	0	0	109.2	T8 L9	P6-T8 PolarHBondContact O-N 2.89Å; P6-L9 HydrophobicContact CG-CB 4.29Å; P6-L9 HydrophobicContact CG-CD1 4.07Å; P6-L9 PolarHBondContact O-N 3Å
7	R	49.5	Very low	42.7	Very low	219 Å²	219	122.8 Å²	122.8	83%	0.826	65%	0.65	S	S	*	*	H	α-helix	trans	-52.7	-22.6	177.5	-87.3	177.1	161.2	150.8	-6.8	113.5	A5 L11	A5-R7 PolarHBondContact O-N 3.28Å; R7-L11 PolarHBondContact O-N 3.45Å
8	T	50.3	Low	42.5	Very low	99 Å²	99	119.2 Å²	119.2	61%	0.607	64%	0.64	S	S	*	*	H	α-helix	trans	-68.5	-31.6	173.6	23.1	0	0	0	0	113.8	P6 L12	P6-T8 PolarHBondContact O-N 2.89Å; T8-L12 PolarHBondContact O-N 3.18Å
9	L	42.7	Very low	42.2	Very low	104 Å²	104	117.9 Å²	117.9	55%	0.545	63%	0.633	S	S	.	*	H	α-helix	trans	-75.2	-31.6	179	-126.4	112	0	0	0	111.9	P6 L13	P6-L9 HydrophobicContact CG-CB 4.29Å; P6-L9 HydrophobicContact CG-CD1 4.07Å; P6-L9 PolarHBondContact O-N 3Å; L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.33Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.33Å
10	I	47.7	Very low	42	Very low	99 Å²	99	116.9 Å²	116.9	51%	0.508	63%	0.631	S	S	.	*	H	α-helix	trans	-70.4	-39.9	178.2	-62.7	172.8	0	0	0	110.3	L13 S14	I10-L13 PolarHBondContact O-N 2.96Å; I10-S14 PolarHBondContact O-N 3.39Å; I10-S14 PolarHBondContact O-OG 2.88Å
11	L	49.8	Very low	41.8	Very low	127 Å²	127	119 Å²	119	67%	0.665	64%	0.637	S	S	*	*	H	α-helix	trans	-67.7	-36.1	176.9	-76.3	163.6	0	0	0	113.4	R7 S14 G15	R7-L11 PolarHBondContact O-N 3.45Å; L11-S14 PolarHBondContact O-N 3.02Å; L11-G15 PolarHBondContact O-N 3.38Å
12	L	45.6	Very low	42.2	Very low	132 Å²	132	112.1 Å²	112.1	69%	0.691	61%	0.609	S	S	*	*	H	α-helix	trans	-67.5	-37.6	174.9	-77.2	164.1	0	0	0	112.1	T8 A16	T8-L12 PolarHBondContact O-N 3.18Å; L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 2.91Å; L12-A16 VanDerWaalsContact O-N 3.08Å
13	L	38.6	Very low	42.9	Very low	102 Å²	102	104.4 Å²	104.4	53%	0.534	58%	0.579	S	S	.	*	H	α-helix	trans	-69.3	-36.1	173.7	-77	160.4	0	0	0	111.9	L9 I10 L17	L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.33Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.33Å; I10-L13 PolarHBondContact O-N 2.96Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 2.65Å
14	S	42.6	Very low	43.7	Very low	65 Å²	65	100.2 Å²	100.2	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-63.7	-41.9	173.4	-55	0	0	0	0	112.9	I10 L11 A18	I10-S14 PolarHBondContact O-N 3.39Å; I10-S14 PolarHBondContact O-OG 2.88Å; L11-S14 PolarHBondContact O-N 3.02Å; S14-A18 WeakPolarHBondContact O-CB 3.44Å; S14-A18 PolarHBondContact O-N 3Å
15	G	42.5	Very low	45.1	Very low	34 Å²	34	94.2 Å²	94.2	35%	0.351	53%	0.534	S	S	.	.	H	α-helix	trans	-68.5	-40.4	177.6	0	0	0	0	0	112.7	L11 A18 L19	L11-G15 PolarHBondContact O-N 3.38Å; G15-A18 PolarHBondContact O-N 3.18Å; G15-L19 WeakPolarHBondContact O-CB 3.25Å; G15-L19 WeakPolarHBondContact O-CD1 3.44Å; G15-L19 WeakPolarHBondContact O-CG 3.38Å; G15-L19 PolarHBondContact O-N 2.7Å
16	A	38.8	Very low	47.3	Very low	54 Å²	54	94.3 Å²	94.3	45%	0.446	53%	0.531	S	S	.	.	H	α-helix	trans	-69.8	-35	176.4	0	0	0	0	0	113	L12 T20	L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 2.91Å; L12-A16 VanDerWaalsContact O-N 3.08Å; A16-T20 WeakPolarHBondContact O-CG2 3.4Å; A16-T20 PolarHBondContact O-N 2.95Å; A16-T20 VanDerWaalsContact O-N 3.14Å; A16-T20 PolarHBondContact O-OG1 3.08Å
17	L	34.9	Very low	49.6	Very low	111 Å²	111	92.1 Å²	92.1	58%	0.581	51%	0.514	S	S	*	.	H	α-helix	trans	-70.2	-39	173.6	-80.6	159.9	0	0	0	111.8	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 2.65Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.43Å; L17-T20 PolarHBondContact O-N 3.05Å; L17-T20 PolarHBondContact O-OG1 2.88Å; L17-E21 PolarHBondContact O-N 2.89Å; L17-E21 VanDerWaalsContact O-N 3.14Å
18	A	39.1	Very low	51.9	Low	58 Å²	58	82.5 Å²	82.5	48%	0.479	48%	0.481	S	S	.	.	H	α-helix	trans	-66.3	-34.2	174.2	0	0	0	0	0	112.7	S14 G15	S14-A18 WeakPolarHBondContact O-CB 3.44Å; S14-A18 PolarHBondContact O-N 3Å; G15-A18 PolarHBondContact O-N 3.18Å
19	L	37.7	Very low	54.2	Low	94 Å²	94	77.8 Å²	77.8	49%	0.492	45%	0.452	S	S	.	.	H	α-helix	trans	-75.2	-22.8	176.7	-82.6	159.7	0	0	0	113.8	G15 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.25Å; G15-L19 WeakPolarHBondContact O-CD1 3.44Å; G15-L19 WeakPolarHBondContact O-CG 3.38Å; G15-L19 PolarHBondContact O-N 2.7Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3Å; L19-T22 PolarHBondContact O-OG1 3.46Å
20	T	37.5	Very low	56.8	Low	97 Å²	97	75.9 Å²	75.9	60%	0.595	44%	0.439	S	S	*	.	H	α-helix	trans	-91.6	-25.9	179.3	43.8	0	0	0	0	112.8	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.4Å; A16-T20 PolarHBondContact O-N 2.95Å; A16-T20 VanDerWaalsContact O-N 3.14Å; A16-T20 PolarHBondContact O-OG1 3.08Å; L17-T20 WeakPolarHBondContact CA-OG1 3.43Å; L17-T20 PolarHBondContact O-N 3.05Å; L17-T20 PolarHBondContact O-OG1 2.88Å; T20-T22 VanDerWaalsContact C-N 3.33Å; T20-T22 PolarHBondContact O-N 3.16Å
21	E	37.6	Very low	59.3	Low	162 Å²	162	71.7 Å²	71.7	76%	0.757	42%	0.417	S	S	*	.	H	α-helix	trans	-70.7	-24.1	174.7	-100.6	-176.2	162.4	0	0	113.8	L17 W23	L17-E21 PolarHBondContact O-N 2.89Å; L17-E21 VanDerWaalsContact O-N 3.14Å; E21-W23 PolarHBondContact O-N 3.14Å
22	T	43.3	Very low	61.6	Low	96 Å²	96	69.6 Å²	69.6	59%	0.589	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-10	-175.6	50	0	0	0	0	115.2	L19 T20	L19-T22 PolarHBondContact O-OG1 3.46Å; T20-T22 VanDerWaalsContact C-N 3.33Å; T20-T22 PolarHBondContact O-N 3.16Å
23	W	52	Low	64.1	Low	88 Å²	88	64 Å²	64	33%	0.333	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	24.2	-178.7	-60.6	103	0	0	0	112.9	E21 C25 Q286 H287 E288	E21-W23 PolarHBondContact O-N 3.14Å; W23-C25 VanDerWaalsContact C-N 3.34Å; W23-C25 PolarHBondContact O-N 3.35Å; W23-Q286 HydrophobicContact CZ2-CB 4.42Å; W23-H287 VanDerWaalsContact CZ2-C 3.42Å; W23-E288 HydrophobicContact CD2-CB 4.42Å; W23-E288 HydrophobicContact CD2-CG 4.48Å; W23-E288 HydrophobicContact CE3-CB 3.33Å; W23-E288 HydrophobicContact CE3-CG 3.52Å; W23-E288 HydrophobicContact CH2-CB 4.14Å; W23-E288 HydrophobicContact CZ3-CB 3.21Å; W23-E288 HydrophobicContact CZ3-CG 3.96Å
24	A	54.4	Low	67	Low	50 Å²	50	61.3 Å²	61.3	41%	0.413	36%	0.36	S	S	.	.			trans	-70.3	96.8	170	0	0	0	0	0	107.7	S26 P129	A24-S26 PolarHBondContact O-N 3.48Å; A24-P129 HydrophobicContact CB-CG 3.5Å
25	C	71.6	Confident	69.7	Low	52 Å²	52	58.3 Å²	58.3	35%	0.351	34%	0.339	S	S	.	.			trans	-46.9	102.8	-173.4	-155.9	0	0	0	0	110.8	W23 P129 E288	W23-C25 VanDerWaalsContact C-N 3.34Å; W23-C25 PolarHBondContact O-N 3.35Å; C25-P129 WeakPolarHBondContact O-CA 3.45Å; C25-E288 PolarHBondContact SG-OE1 3.03Å
26	S	90.4	Very high	72.3	Confident	67 Å²	67	59.1 Å²	59.1	47%	0.469	34%	0.338	S	S	.	.			trans	-111.6	141.3	-178.7	71.9	0	0	0	0	108.1	A24 L127	A24-S26 PolarHBondContact O-N 3.48Å; S26-L127 WeakPolarHBondContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CB-O 3.46Å
27	H	95	Very high	75.2	Confident	24 Å²	24	57.4 Å²	57.4	11%	0.111	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.9	-177.9	-66.4	-73.8	0	0	0	110.9	D53 N126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 2.8Å; H27-D53 IonicContact CG-OD2 2.99Å; H27-D53 IonicContact ND1-OD1 3.56Å; H27-D53 IonicContact ND1-OD2 2.67Å; H27-D53 PolarHBondContact ND1-OD2 2.82Å; H27-N126 CarbonylContact O-C 3.44Å; H27-N126 WeakPolarHBondContact O-CA 3.39Å; H27-L127 PolarHBondContact N-O 3.47Å; H27-L127 VanDerWaalsContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 2.86Å; H27-L192 HydrophobicContact CB-CD1 4.43Å; H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.24Å
28	S	97.1	Very high	78.1	Confident	17 Å²	17	55.6 Å²	55.6	12%	0.119	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.6	179.5	67	0	0	0	0	111.8	V52 D53 C125 N126	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.48Å; S28-D53 PolarHBondContact N-OD1 3.46Å; S28-D53 PolarHBondContact O-N 2.88Å; S28-D53 PolarHBondContact OG-OD1 3.26Å; S28-C125 CarbonylContact C-O 3.55Å; S28-C125 VanDerWaalsContact CA-O 3.32Å; S28-C125 WeakPolarHBondContact CA-O 3.03Å; S28-N126 WeakPolarHBondContact CB-OD1 3.35Å
29	M	98.5	Very high	80.7	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.1	167.6	-175.7	171.9	61.8	0	0	108	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.24Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4.03Å; M29-Y51 WeakPolarHBondContact CA-O 3.47Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.36Å; M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.15Å; M29-C125 PolarHBondContact N-O 3.3Å; M29-C125 PolarHBondContact O-N 2.94Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.04Å; M29-C188 WeakPolarHBondContact CE-SG 3.45Å; M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.42Å; M29-L192 HydrophobicContact CB-CB 4.04Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.98Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.43Å; M29-Y195 HydrophobicContact SD-CD2 3.69Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30	K	98.5	Very high	83.3	Confident	63 Å²	63	55.3 Å²	55.3	27%	0.274	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.1	-177.3	-64.8	175	-173.5	161.6	0	110.5	F32 G50 Y51 M122	K30-F32 HydrophobicContact CB-CD2 4.49Å; K30-F32 HydrophobicContact CB-CE2 3.68Å; K30-F32 HydrophobicContact CB-CZ 3.95Å; K30-F32 HydrophobicContact CD-CZ 4.13Å; K30-G50 WeakPolarHBondContact O-CA 3.04Å; K30-Y51 PolarHBondContact N-O 3.14Å; K30-Y51 PolarHBondContact O-N 3Å; K30-M122 HydrophobicContact CG-SD 4.49Å
31	Y	98.8	Very high	86	Confident	11 Å²	11	60.7 Å²	60.7	4%	0.043	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135	168.6	-68.9	-92	0	0	0	109.2	M29 F33 V49 F57 V58 M122 C123	M29-Y31 HydrophobicContact CE-CE2 4.24Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4.03Å; Y31-F33 HydrophobicContact CD1-CZ 4.45Å; Y31-F33 HydrophobicContact CG-CZ 4.29Å; Y31-V49 WeakPolarHBondContact CA-O 3.35Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE2-CZ 4.45Å; Y31-F57 AromaticContact CZ-CZ 3.68Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.32Å; Y31-V58 HydrophobicContact CD1-CG1 4.48Å; Y31-V58 HydrophobicContact CE1-CG1 3.85Å; Y31-M122 WeakPolarHBondContact O-CA 3.28Å; Y31-C123 PolarHBondContact N-O 3.05Å; Y31-C123 PolarHBondContact O-N 3.45Å; Y31-C123 VanDerWaalsContact O-N 3.09Å
32	F	98.8	Very high	88.6	Confident	83 Å²	83	55.8 Å²	55.8	36%	0.364	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.6	175	-56.5	-94.6	0	0	0	108.4	K30 S48 V49 Y51 M122	K30-F32 HydrophobicContact CB-CD2 4.49Å; K30-F32 HydrophobicContact CB-CE2 3.68Å; K30-F32 HydrophobicContact CB-CZ 3.95Å; K30-F32 HydrophobicContact CD-CZ 4.13Å; F32-S48 CarbonylContact O-C 3.59Å; F32-S48 VanDerWaalsContact O-CA 3.29Å; F32-S48 WeakPolarHBondContact O-CA 3.38Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 3.05Å; F32-V49 PolarHBondContact O-N 3.35Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.24Å; F32-M122 HydrophobicContact CE1-CG 3.44Å; F32-M122 VanDerWaalsContact CE1-CG 3.44Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 4.1Å
33	F	98.8	Very high	91.1	Very high	16 Å²	16	55.6 Å²	55.6	7%	0.07	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.7	177.7	-51.1	-91.1	0	0	0	108.6	Y31 F46 I47 S48 Y91 Q94 Q120 W121	Y31-F33 HydrophobicContact CD1-CZ 4.45Å; Y31-F33 HydrophobicContact CG-CZ 4.29Å; F33-F46 HydrophobicContact CB-CE2 4.18Å; F33-F46 HydrophobicContact CB-CZ 4.45Å; F33-F46 HydrophobicContact CD1-CE1 4.42Å; F33-F46 HydrophobicContact CD1-CE2 4.03Å; F33-F46 AromaticContact CD1-CZ 3.5Å; F33-F46 HydrophobicContact CD1-CZ 3.5Å; F33-F46 HydrophobicContact CE1-CZ 4.22Å; F33-F46 HydrophobicContact CG-CZ 4.41Å; F33-I47 CarbonylContact C-O 3.51Å; F33-I47 WeakPolarHBondContact CA-O 3.11Å; F33-S48 VanDerWaalsContact CD1-CB 3.49Å; F33-S48 WeakPolarHBondContact CD1-OG 3.37Å; F33-S48 WeakPolarHBondContact CE1-OG 3.48Å; F33-Y91 AromaticContact CE1-CD1 3.99Å; F33-Y91 HydrophobicContact CE1-CD1 3.99Å; F33-Y91 AromaticContact CE1-CE1 3.94Å; F33-Y91 HydrophobicContact CE1-CE1 3.94Å; F33-Q94 HydrophobicContact CD1-CG 4.45Å; F33-Q120 CarbonylContact O-C 3.6Å; F33-Q120 VanDerWaalsContact O-CA 3.26Å; F33-Q120 WeakPolarHBondContact O-CA 3.39Å; F33-W121 HydrophobicContact CB-CB 4.2Å; F33-W121 HydrophobicContact CB-CE3 4.47Å; F33-W121 HydrophobicContact CD2-CB 4.15Å; F33-W121 AromaticContact CD2-CD2 3.73Å; F33-W121 HydrophobicContact CD2-CD2 3.73Å; F33-W121 AromaticContact CD2-CE3 3.33Å; F33-W121 HydrophobicContact CD2-CE3 3.33Å; F33-W121 HydrophobicContact CD2-CG 4.1Å; F33-W121 AromaticContact CD2-CZ3 3.97Å; F33-W121 HydrophobicContact CD2-CZ3 3.97Å; F33-W121 WeakPolarHBondContact CD2-O 3.44Å; F33-W121 HydrophobicContact CE2-CD2 4.06Å; F33-W121 AromaticContact CE2-CE3 3.59Å; F33-W121 HydrophobicContact CE2-CE3 3.59Å; F33-W121 HydrophobicContact CE2-CH2 4.36Å; F33-W121 AromaticContact CE2-CZ3 3.74Å; F33-W121 HydrophobicContact CE2-CZ3 3.74Å; F33-W121 AromaticContact CG-CE3 3.89Å; F33-W121 HydrophobicContact CG-CE3 3.89Å; F33-W121 HydrophobicContact CZ-CE3 4.3Å; F33-W121 HydrophobicContact CZ-CZ3 4.1Å; F33-W121 PolarHBondContact N-O 3.44Å; F33-W121 PolarHBondContact O-N 2.91Å
34	T	98.9	Very high	93.3	Very high	44 Å²	44	52.7 Å²	52.7	27%	0.27	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.8	177.6	-56.7	0	0	0	0	109.2	V36 F46 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 4.02Å; T34-F46 WeakPolarHBondContact O-CA 3.44Å; T34-I47 PolarHBondContact N-O 3.3Å; T34-I47 PolarHBondContact O-N 2.8Å; T34-T118 HydrophobicContact CG2-CG2 4.03Å; T34-Q120 HydrophobicContact CG2-CG 4.15Å
35	S	98.8	Very high	95.4	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.014	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.2	176.4	-75.6	0	0	0	0	110.3	R45 F46 D98 T118 L119	S35-R45 CarbonylContact C-O 3.51Å; S35-R45 VanDerWaalsContact CA-O 3.31Å; S35-R45 WeakPolarHBondContact CA-O 3.39Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.4Å; S35-D98 WeakPolarHBondContact OG-CB 3.44Å; S35-D98 PolarHBondContact OG-OD2 2.83Å; S35-T118 CarbonylContact O-C 3.58Å; S35-T118 WeakPolarHBondContact O-CA 3.4Å; S35-L119 PolarHBondContact N-O 2.94Å; S35-L119 PolarHBondContact O-N 3.01Å
36	V	98.6	Very high	96.7	Very high	52 Å²	52	52.2 Å²	52.2	32%	0.315	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.9	-178.4	-174.1	0	0	0	0	109.7	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 4.02Å; V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.46Å; V36-R45 PolarHBondContact N-O 3.32Å; V36-R45 PolarHBondContact O-N 3.08Å; V36-T118 HydrophobicContact CG2-CG2 4.22Å
37	S	98.1	Very high	97.1	Very high	17 Å²	17	51.4 Å²	51.4	12%	0.119	28%	0.28	C	S	.	.			trans	-70.2	142.9	174.5	77.2	0	0	0	0	110.5	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.38Å; S37-S116 PolarHBondContact O-OG 2.84Å; S37-H117 PolarHBondContact N-O 3.17Å; S37-H117 PolarHBondContact OG-N 3.1Å; S37-H117 PolarHBondContact OG-O 2.95Å
38	R	96.4	Very high	97.2	Very high	73 Å²	73	50.2 Å²	50.2	28%	0.275	28%	0.275	S	S	.	.			trans	-136.9	74.2	-177.7	53.1	174.9	175.7	-161.2	-10.6	111.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.38Å; R38-R41 HydrophobicContact CB-CB 4.11Å; R38-R41 WeakPolarHBondContact CD-O 3.32Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 2.84Å; R38-R41 PolarHBondContact O-N 2.85Å; R38-E43 VanDerWaalsContact CZ-O 3.3Å; R38-E43 PolarHBondContact NE-O 2.96Å; R38-E43 PolarHBondContact NH2-O 2.85Å; R38-D63 IonicContact CZ-OD1 3.48Å; R38-D63 IonicContact CZ-OD2 3.67Å; R38-D63 IonicContact NH1-OD1 3.36Å; R38-D63 PolarHBondContact NH1-OD1 2.93Å; R38-D63 IonicContact NH1-OD2 2.81Å; R38-D63 PolarHBondContact NH1-OD2 2.91Å; R38-D63 IonicContact NH2-OD1 2.75Å; R38-D63 PolarHBondContact NH2-OD1 3.36Å; R38-D63 IonicContact NH2-OD2 3.59Å
39	P	93.8	Very high	97.3	Very high	57 Å²	57	51 Å²	51	37%	0.37	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	130.9	-177.1	-26.8	34.6	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.24Å; P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.33Å; P39-E113 WeakPolarHBondContact CG-O 3.36Å; P39-G115 WeakPolarHBondContact CG-O 3.44Å
40	G	92.3	Very high	97.3	Very high	90 Å²	90	50.9 Å²	50.9	93%	0.928	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	1.2	-177.6	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.38Å
41	R	94.1	Very high	97.3	Very high	210 Å²	210	51.3 Å²	51.3	79%	0.792	28%	0.279	S	S	*	.	S	Bend	trans	-124.2	24.6	-180	-58.1	-175	-178.5	-172.2	0.6	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.11Å; R38-R41 WeakPolarHBondContact CD-O 3.32Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 2.84Å; R38-R41 PolarHBondContact O-N 2.85Å; P39-R41 PolarHBondContact O-N 3.24Å
42	G	92.8	Very high	97.3	Very high	59 Å²	59	50.8 Å²	50.8	61%	0.608	28%	0.277	S	S	*	.	S	Bend	trans	95.7	-161.4	178.7	0	0	0	0	0	114
43	E	95.3	Very high	97.1	Very high	91 Å²	91	48.3 Å²	48.3	43%	0.425	27%	0.267	S	S	.	.	S	Bend	trans	-69.3	155.5	-179	-63.8	-56.2	160.4	0	0	112.6	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.3Å; R38-E43 PolarHBondContact NE-O 2.96Å; R38-E43 PolarHBondContact NH2-O 2.85Å; E43-R45 PolarHBondContact O-N 3.26Å; E43-R99 IonicContact OE1-CZ 3.85Å; E43-R99 IonicContact OE1-NE 3.67Å; E43-R99 IonicContact OE1-NH1 3.18Å; E43-R99 PolarHBondContact OE1-NH1 3.41Å; E43-R99 IonicContact OE1-NH2 3.42Å; E43-R99 PolarHBondContact OE1-NH2 2.85Å; E43-R99 VanDerWaalsContact OE2-CD 3.3Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-CZ 3.5Å; E43-R99 IonicContact OE2-NE 2.74Å; E43-R99 PolarHBondContact OE2-NE 3.48Å; E43-R99 IonicContact OE2-NH1 3.56Å; E43-R99 IonicContact OE2-NH2 2.74Å; E43-R99 PolarHBondContact OE2-NH2 3.46Å
44	P	97.7	Very high	97	Very high	27 Å²	27	50.6 Å²	50.6	18%	0.175	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-51	133.9	172.6	-25.5	34.7	0	0	0	111.6	V36 R99 L102	V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.46Å; P44-R99 HydrophobicContact CG-CB 4.44Å; P44-R99 HydrophobicContact CG-CG 4.25Å; P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.79Å
45	R	98.4	Very high	96.8	Very high	90 Å²	90	50 Å²	50	34%	0.34	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.5	173.4	-176.9	-179	-177.4	-175.9	-1.3	108.3	S35 V36 E43 I47 D61 D63	S35-R45 CarbonylContact C-O 3.51Å; S35-R45 VanDerWaalsContact CA-O 3.31Å; S35-R45 WeakPolarHBondContact CA-O 3.39Å; V36-R45 PolarHBondContact N-O 3.32Å; V36-R45 PolarHBondContact O-N 3.08Å; E43-R45 PolarHBondContact O-N 3.26Å; R45-I47 HydrophobicContact CG-CG1 4.34Å; R45-D61 IonicContact CZ-OD1 3.06Å; R45-D61 IonicContact CZ-OD2 3.13Å; R45-D61 IonicContact NE-OD1 2.88Å; R45-D61 PolarHBondContact NE-OD1 2.88Å; R45-D61 VanDerWaalsContact NE-OD1 3.1Å; R45-D61 IonicContact NE-OD2 3.9Å; R45-D61 IonicContact NH2-OD1 2.62Å; R45-D61 PolarHBondContact NH2-OD1 2.94Å; R45-D61 IonicContact NH2-OD2 3.42Å; R45-D61 PolarHBondContact NH2-OD2 2.78Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.19Å; R45-D63 HydrophobicContact CG-CB 4.44Å; R45-D63 IonicContact NE-OD2 3.49Å
46	F	98.8	Very high	96.8	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.9	178	173.8	-86.7	0	0	0	109.7	F33 T34 S35 F60 S62 Y91 Q94 A95	F33-F46 HydrophobicContact CB-CE2 4.18Å; F33-F46 HydrophobicContact CB-CZ 4.45Å; F33-F46 HydrophobicContact CD1-CE1 4.42Å; F33-F46 HydrophobicContact CD1-CE2 4.03Å; F33-F46 AromaticContact CD1-CZ 3.5Å; F33-F46 HydrophobicContact CD1-CZ 3.5Å; F33-F46 HydrophobicContact CE1-CZ 4.22Å; F33-F46 HydrophobicContact CG-CZ 4.41Å; T34-F46 WeakPolarHBondContact O-CA 3.44Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.4Å; F46-F60 AromaticContact CD1-CD1 3.59Å; F46-F60 HydrophobicContact CD1-CD1 3.59Å; F46-F60 AromaticContact CD1-CE1 3.69Å; F46-F60 HydrophobicContact CD1-CE1 3.69Å; F46-F60 AromaticContact CE1-CD1 3.73Å; F46-F60 HydrophobicContact CE1-CD1 3.73Å; F46-F60 HydrophobicContact CE1-CE1 4.08Å; F46-S62 PolarHBondContact N-OG 2.83Å; F46-S62 PolarHBondContact O-N 2.8Å; F46-S62 PolarHBondContact O-OG 2.66Å; F46-Y91 HydrophobicContact CE1-CD1 4.42Å; F46-Q94 HydrophobicContact CE2-CB 4.03Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.86Å; F46-Q94 HydrophobicContact CZ-CG 3.93Å; F46-A95 HydrophobicContact CB-CB 3.72Å; F46-A95 HydrophobicContact CD1-CB 3.9Å; F46-A95 HydrophobicContact CD2-CB 3.85Å; F46-A95 HydrophobicContact CE1-CB 4.43Å; F46-A95 HydrophobicContact CE2-CB 4.42Å; F46-A95 HydrophobicContact CG-CB 3.56Å
47	I	98.8	Very high	96.8	Very high	50 Å²	50	49.9 Å²	49.9	26%	0.256	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135	175	-58.4	174.6	0	0	0	107.9	F33 T34 R45 F60	F33-I47 CarbonylContact C-O 3.51Å; F33-I47 WeakPolarHBondContact CA-O 3.11Å; T34-I47 PolarHBondContact N-O 3.3Å; T34-I47 PolarHBondContact O-N 2.8Å; R45-I47 HydrophobicContact CG-CG1 4.34Å; I47-F60 WeakPolarHBondContact CA-O 2.94Å
48	S	98.7	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.5	169.5	-176.5	0	0	0	0	110.5	F32 F33 R59 F60 Y91	F32-S48 CarbonylContact O-C 3.59Å; F32-S48 VanDerWaalsContact O-CA 3.29Å; F32-S48 WeakPolarHBondContact O-CA 3.38Å; F33-S48 VanDerWaalsContact CD1-CB 3.49Å; F33-S48 WeakPolarHBondContact CD1-OG 3.37Å; F33-S48 WeakPolarHBondContact CE1-OG 3.48Å; S48-R59 CarbonylContact O-C 3.57Å; S48-R59 VanDerWaalsContact O-CA 3.3Å; S48-R59 WeakPolarHBondContact O-CA 3.46Å; S48-F60 PolarHBondContact N-O 3.14Å; S48-F60 PolarHBondContact O-N 3.31Å; S48-Y91 VanDerWaalsContact OG-CE1 3.27Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.49Å
49	V	98.8	Very high	96.9	Very high	32 Å²	32	49.5 Å²	49.5	19%	0.194	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.5	170.5	-63.1	0	0	0	0	109.7	Y31 F32 Y51 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.35Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 3.05Å; F32-V49 PolarHBondContact O-N 3.35Å; V49-Y51 HydrophobicContact CB-CE2 4.06Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; V49-R59 HydrophobicContact CG1-CG 4.29Å
50	G	98.6	Very high	97.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138	176	0	0	0	0	0	110.9	K30 Q56 F57 V58	K30-G50 WeakPolarHBondContact O-CA 3.04Å; G50-Q56 WeakPolarHBondContact O-CA 3.31Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 3.18Å; G50-V58 PolarHBondContact N-O 3Å; G50-V58 PolarHBondContact O-N 3.07Å
51	Y	98.5	Very high	97.4	Very high	72 Å²	72	43.4 Å²	43.4	28%	0.282	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.4	178.8	-75.2	-102.7	0	0	0	110.4	M29 K30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.47Å; K30-Y51 PolarHBondContact N-O 3.14Å; K30-Y51 PolarHBondContact O-N 3Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; V49-Y51 HydrophobicContact CB-CE2 4.06Å; V49-Y51 HydrophobicContact CG2-CD2 4.36Å; V49-Y51 HydrophobicContact CG2-CE2 3.81Å; Y51-T55 WeakPolarHBondContact CA-O 3.41Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CG 4.4Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.89Å; Y51-Q56 HydrophobicContact CG-CB 4.49Å
52	V	98.1	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.8	155.1	177.3	0	0	0	0	105.7	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.48Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; V52-D54 PolarHBondContact O-N 2.93Å; V52-T55 PolarHBondContact N-O 2.92Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 3.3Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; V52-W75 HydrophobicContact CB-CH2 4.43Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.88Å; V52-W75 HydrophobicContact CG2-CZ2 4.39Å; V52-L192 HydrophobicContact CG1-CD1 3.63Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.15Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å
53	D	95.5	Very high	97.8	Very high	30 Å²	30	35.5 Å²	35.5	16%	0.16	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-122.2	-168	-55.7	-40.9	0	0	0	110.7	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.39Å; H27-D53 IonicContact CE1-OD2 2.8Å; H27-D53 IonicContact CG-OD2 2.99Å; H27-D53 IonicContact ND1-OD1 3.56Å; H27-D53 IonicContact ND1-OD2 2.67Å; H27-D53 PolarHBondContact ND1-OD2 2.82Å; S28-D53 PolarHBondContact N-OD1 3.46Å; S28-D53 PolarHBondContact O-N 2.88Å; S28-D53 PolarHBondContact OG-OD1 3.26Å
54	D	95.5	Very high	97.9	Very high	65 Å²	65	32.8 Å²	32.8	35%	0.348	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	10.7	179.6	-61.5	-52.2	0	0	0	113.2	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.93Å; D54-Y233 HydrophobicContact CB-CE2 4.08Å; D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 VanDerWaalsContact OD2-CB 3.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.38Å; D54-A235 PolarHBondContact OD2-N 2.85Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.69Å
55	T	96.4	Very high	97.9	Very high	30 Å²	30	37.1 Å²	37.1	18%	0.184	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.3	-176.7	-57.4	0	0	0	0	111.9	Y51 V52 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.41Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; V52-T55 PolarHBondContact N-O 2.92Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 3.3Å; T55-F57 PolarHBondContact O-N 2.99Å; T55-L203 HydrophobicContact CG2-CD2 4.15Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.17Å; T55-Y233 PolarHBondContact OG1-OH 3Å
56	Q	97.5	Very high	97.8	Very high	52 Å²	52	36.6 Å²	36.6	24%	0.243	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	129.9	173.6	-166.5	-179.3	3.2	0	0	110.3	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.31Å; Y51-Q56 HydrophobicContact CD1-CB 4.01Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CG 4.4Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.11Å; Y51-Q56 HydrophobicContact CE2-CG 3.89Å; Y51-Q56 HydrophobicContact CG-CB 4.49Å; Q56-V58 PolarHBondContact NE2-O 3.18Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.56Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-21	179.5	75.4	-88.2	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.36Å; Y31-F57 AromaticContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE1-CZ 3.94Å; Y31-F57 HydrophobicContact CE2-CZ 4.45Å; Y31-F57 AromaticContact CZ-CZ 3.68Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.32Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 3.18Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; T55-F57 PolarHBondContact O-N 2.99Å; F57-R72 PolarHBondContact O-N 3.24Å; F57-A73 HydrophobicContact CB-CB 4.09Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 3.94Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 AromaticContact CD2-CH2 3.9Å; F57-W75 HydrophobicContact CD2-CH2 3.9Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.14Å; F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.43Å; F57-Y195 HydrophobicContact CE2-CD2 4.38Å; F57-Y195 AromaticContact CE2-CE2 3.7Å; F57-Y195 HydrophobicContact CE2-CE2 3.7Å; F57-Y195 AromaticContact CE2-CZ 3.93Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.71Å; F57-Y195 HydrophobicContact CZ-CE2 3.71Å
58	V	98.4	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.3	178.8	62.6	0	0	0	0	111.9	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CD1-CG1 4.48Å; Y31-V58 HydrophobicContact CE1-CG1 3.85Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; G50-V58 PolarHBondContact N-O 3Å; G50-V58 PolarHBondContact O-N 3.07Å; Q56-V58 PolarHBondContact NE2-O 3.18Å; V58-E70 WeakPolarHBondContact CA-O 3.31Å; V58-W84 HydrophobicContact CG2-CZ3 4.05Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.4Å; V58-Y91 HydrophobicContact CG2-CE2 4.24Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.49Å
59	R	98.4	Very high	97.6	Very high	83 Å²	83	43.2 Å²	43.2	31%	0.313	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.4	170.4	179.3	175.1	168.9	-179.5	-3.7	110.9	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.57Å; S48-R59 VanDerWaalsContact O-CA 3.3Å; S48-R59 WeakPolarHBondContact O-CA 3.46Å; V49-R59 HydrophobicContact CG1-CG 4.29Å; R59-D61 IonicContact NH2-OD2 3.06Å; R59-D61 PolarHBondContact NH2-OD2 2.03Å; R59-D61 VanDerWaalsContact NH2-OD2 3.11Å; R59-E70 PolarHBondContact N-O 3.49Å; R59-E70 PolarHBondContact O-N 2.92Å; R59-R72 HydrophobicContact CB-CG 3.94Å
60	F	98.8	Very high	97.5	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.013	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.1	164.8	178.4	-83	0	0	0	109.3	F46 I47 S48 P67 R68 T88 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.59Å; F46-F60 HydrophobicContact CD1-CD1 3.59Å; F46-F60 AromaticContact CD1-CE1 3.69Å; F46-F60 HydrophobicContact CD1-CE1 3.69Å; F46-F60 AromaticContact CE1-CD1 3.73Å; F46-F60 HydrophobicContact CE1-CD1 3.73Å; F46-F60 HydrophobicContact CE1-CE1 4.08Å; I47-F60 WeakPolarHBondContact CA-O 2.94Å; S48-F60 PolarHBondContact N-O 3.14Å; S48-F60 PolarHBondContact O-N 3.31Å; F60-P67 HydrophobicContact CE1-CB 4.47Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; F60-R68 VanDerWaalsContact CD2-C 3.5Å; F60-R68 WeakPolarHBondContact CD2-O 3.18Å; F60-T88 HydrophobicContact CE2-CG2 4.47Å; F60-Y91 HydrophobicContact CB-CD1 4.29Å; F60-Y91 HydrophobicContact CB-CD2 3.6Å; F60-Y91 HydrophobicContact CB-CE2 4.03Å; F60-Y91 HydrophobicContact CB-CG 3.77Å; F60-Y91 HydrophobicContact CD1-CG 4.39Å; F60-Y91 AromaticContact CD2-CD2 3.62Å; F60-Y91 HydrophobicContact CD2-CD2 3.62Å; F60-Y91 AromaticContact CD2-CG 3.89Å; F60-Y91 HydrophobicContact CD2-CG 3.89Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.76Å; F60-Y91 HydrophobicContact CG-CG 3.76Å; F60-K92 HydrophobicContact CE2-CG 4.35Å; F60-K92 HydrophobicContact CZ-CG 4.08Å
61	D	98.6	Very high	97.5	Very high	15 Å²	15	46.5 Å²	46.5	8%	0.08	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	120.5	175.8	-164	-26.5	0	0	0	109.5	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.06Å; R45-D61 IonicContact CZ-OD2 3.13Å; R45-D61 IonicContact NE-OD1 2.88Å; R45-D61 PolarHBondContact NE-OD1 2.88Å; R45-D61 VanDerWaalsContact NE-OD1 3.1Å; R45-D61 IonicContact NE-OD2 3.9Å; R45-D61 IonicContact NH2-OD1 2.62Å; R45-D61 PolarHBondContact NH2-OD1 2.94Å; R45-D61 IonicContact NH2-OD2 3.42Å; R45-D61 PolarHBondContact NH2-OD2 2.78Å; R59-D61 IonicContact NH2-OD2 3.06Å; R59-D61 PolarHBondContact NH2-OD2 2.03Å; R59-D61 VanDerWaalsContact NH2-OD2 3.11Å; D61-D63 PolarHBondContact O-N 3.44Å; D61-D63 PolarHBondContact OD1-N 2.97Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å; D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.37Å; D61-A64 PolarHBondContact O-N 3.35Å
62	S	98.3	Very high	97.4	Very high	34 Å²	34	48.4 Å²	48.4	24%	0.238	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.3	-178.9	67.2	0	0	0	0	113.5	F46 A64 P67	F46-S62 PolarHBondContact N-OG 2.83Å; F46-S62 PolarHBondContact O-N 2.8Å; F46-S62 PolarHBondContact O-OG 2.66Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-P67 WeakPolarHBondContact O-CG 3.1Å
63	D	97.6	Very high	97.3	Very high	70 Å²	70	48.7 Å²	48.7	37%	0.374	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-2.4	-179.7	-77.2	5.1	0	0	0	112.6	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.48Å; R38-D63 IonicContact CZ-OD2 3.67Å; R38-D63 IonicContact NH1-OD1 3.36Å; R38-D63 PolarHBondContact NH1-OD1 2.93Å; R38-D63 IonicContact NH1-OD2 2.81Å; R38-D63 PolarHBondContact NH1-OD2 2.91Å; R38-D63 IonicContact NH2-OD1 2.75Å; R38-D63 PolarHBondContact NH2-OD1 3.36Å; R38-D63 IonicContact NH2-OD2 3.59Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.19Å; R45-D63 HydrophobicContact CG-CB 4.44Å; R45-D63 IonicContact NE-OD2 3.49Å; D61-D63 PolarHBondContact O-N 3.44Å; D61-D63 PolarHBondContact OD1-N 2.97Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å
64	A	97.3	Very high	97.4	Very high	33 Å²	33	52.2 Å²	52.2	27%	0.273	29%	0.293	S	S	.	.	S	Bend	trans	-62	148.8	172.6	0	0	0	0	0	110.8	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.45Å; D61-A64 WeakPolarHBondContact O-CB 3.37Å; D61-A64 PolarHBondContact O-N 3.35Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 2.88Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 2.99Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å
65	A	96.8	Very high	97.4	Very high	118 Å²	118	49.8 Å²	49.8	98%	0.975	28%	0.279	S	S	*	.	S	Bend	trans	-58.3	-31.5	179.6	0	0	0	0	0	113
66	S	95.9	Very high	97.4	Very high	80 Å²	80	48.4 Å²	48.4	56%	0.559	27%	0.27	S	S	*	.	S	Bend	trans	-134	90.5	171.2	-173.8	0	0	0	0	109.2	A64 R68	A64-S66 PolarHBondContact O-N 2.88Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 3.28Å; S66-R68 VanDerWaalsContact O-N 3.1Å
67	P	97	Very high	97.3	Very high	35 Å²	35	51.8 Å²	51.8	23%	0.227	29%	0.286	C	S	.	.			trans	-65.2	111.8	-175.3	-23.8	35.2	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.47Å; F60-P67 HydrophobicContact CE2-CB 3.89Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; S62-P67 WeakPolarHBondContact O-CG 3.1Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 2.99Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å; P67-K92 VanDerWaalsContact O-CE 3.22Å; P67-K92 WeakPolarHBondContact O-CE 3.49Å; P67-K92 PolarHBondContact O-NZ 3.18Å
68	R	97.7	Very high	97.2	Very high	150 Å²	150	57.6 Å²	57.6	57%	0.566	31%	0.313	S	S	*	.			trans	-145.8	159.9	177.2	62.9	-175.9	171.6	178.1	-0.5	110.8	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.5Å; F60-R68 WeakPolarHBondContact CD2-O 3.18Å; S66-R68 PolarHBondContact O-N 3.28Å; S66-R68 VanDerWaalsContact O-N 3.1Å; R68-E70 HydrophobicContact CG-CG 4.35Å; R68-E70 PolarHBondContact O-N 2.96Å; R68-T88 HydrophobicContact CB-CG2 4.23Å
69	G	97.3	Very high	97.1	Very high	5 Å²	5	58.2 Å²	58.2	5%	0.052	32%	0.316	C	S	.	.			trans	-64.9	128.9	168.2	0	0	0	0	0	109.5	T88	G69-T88 PolarHBondContact N-OG1 2.82Å
70	E	97.7	Very high	96.9	Very high	55 Å²	55	55.9 Å²	55.9	26%	0.257	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.6	-178.3	-64.9	177.5	163.2	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.31Å; R59-E70 PolarHBondContact N-O 3.49Å; R59-E70 PolarHBondContact O-N 2.92Å; R68-E70 HydrophobicContact CG-CG 4.35Å; R68-E70 PolarHBondContact O-N 2.96Å; E70-R72 IonicContact OE2-CZ 2.73Å; E70-R72 IonicContact OE2-NH2 3.66Å; E70-R72 PolarHBondContact OE2-NH2 2.79Å
71	P	97.9	Very high	96.9	Very high	47 Å²	47	60.4 Å²	60.4	31%	0.305	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	144.9	173.5	28.5	-34	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.77Å; P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.96Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 3.81Å; P71-W84 HydrophobicContact CG-CH2 4.29Å; P71-W84 HydrophobicContact CG-CZ2 4.26Å
72	R	97.4	Very high	96.8	Very high	112 Å²	112	67.4 Å²	67.4	42%	0.423	38%	0.38	S	S	.	.			trans	-127.8	-0.3	175.4	-60.4	-64.4	172.2	179.2	-1.8	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.56Å; F57-R72 PolarHBondContact O-N 3.24Å; R59-R72 HydrophobicContact CB-CG 3.94Å; E70-R72 IonicContact OE2-CZ 2.73Å; E70-R72 IonicContact OE2-NH2 3.66Å; E70-R72 PolarHBondContact OE2-NH2 2.79Å
73	A	96	Very high	96.7	Very high	5 Å²	5	66.2 Å²	66.2	4%	0.041	37%	0.37	C	S	.	.	S	Bend	trans	-137.9	143.7	173.1	0	0	0	0	0	110.6	F57 W75 V76	F57-A73 HydrophobicContact CB-CB 4.09Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 2.8Å; A73-V76 VanDerWaalsContact O-CG1 3.22Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 3.01Å
74	P	96.1	Very high	96.8	Very high	104 Å²	104	64.7 Å²	64.7	68%	0.675	36%	0.359	S	S	*	.	H	α-helix	trans	-58.1	-37.9	-177.7	-26.9	35.1	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 2.92Å; P74-E77 WeakPolarHBondContact O-CB 3.47Å; P74-E77 PolarHBondContact O-N 2.82Å; P74-E77 VanDerWaalsContact O-N 3.08Å
75	W	95.8	Very high	96.8	Very high	15 Å²	15	68.1 Å²	68.1	6%	0.057	37%	0.373	C	S	.	.	H	α-helix	trans	-69	-13.8	-176	54	-107.1	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.43Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.88Å; V52-W75 HydrophobicContact CG2-CZ2 4.39Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.35Å; F57-W75 HydrophobicContact CB-CZ3 3.94Å; F57-W75 AromaticContact CD1-CH2 3.94Å; F57-W75 HydrophobicContact CD1-CH2 3.94Å; F57-W75 AromaticContact CD2-CH2 3.9Å; F57-W75 HydrophobicContact CD2-CH2 3.9Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CH2 3.41Å; F57-W75 VanDerWaalsContact CG-CH2 3.41Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.14Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 2.8Å; W75-Q78 WeakPolarHBondContact O-CG 3.12Å; W75-Q78 PolarHBondContact O-NE2 2.95Å; W75-Y195 HydrophobicContact CE3-CD1 4.28Å; W75-Y195 HydrophobicContact CE3-CG 4.48Å; W75-Y195 HydrophobicContact CH2-CD2 4.42Å; W75-Y195 HydrophobicContact CH2-CG 4.08Å; W75-Y195 AromaticContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD2 4.24Å; W75-Y195 HydrophobicContact CZ3-CE1 4.32Å; W75-Y195 AromaticContact CZ3-CG 3.56Å; W75-Y195 HydrophobicContact CZ3-CG 3.56Å; W75-N198 HydrophobicContact CB-CB 4.43Å; W75-T202 VanDerWaalsContact CD1-OG1 3.25Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.43Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.17Å; W75-L203 HydrophobicContact CZ2-CG 4.45Å
76	V	97.1	Very high	96.8	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-94.6	-15.9	173	73.3	0	0	0	0	112.2	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.42Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.11Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.43Å; P71-V76 HydrophobicContact CB-CG1 3.77Å; A73-V76 VanDerWaalsContact O-CG1 3.22Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 3.01Å; P74-V76 PolarHBondContact O-N 2.92Å; V76-Q78 PolarHBondContact O-N 3.46Å; V76-E79 HydrophobicContact CG2-CG 3.91Å; V76-E79 WeakPolarHBondContact O-CB 3.38Å; V76-E79 WeakPolarHBondContact O-CG 3.3Å; V76-E79 PolarHBondContact O-N 3.28Å; V76-Y83 HydrophobicContact CG2-CE1 4.17Å; V76-W84 HydrophobicContact CG1-CH2 4.02Å; V76-W84 HydrophobicContact CG1-CZ2 4.25Å; V76-W84 HydrophobicContact CG2-CH2 3.95Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.2Å; V76-Y195 HydrophobicContact CG2-CE1 4.43Å
77	E	95.6	Very high	96.9	Very high	124 Å²	124	64.1 Å²	64.1	58%	0.579	32%	0.321	S	S	*	.	H	α-helix	trans	-63.8	-25.1	-179.7	-65.3	-177.3	-179.3	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.96Å; P74-E77 WeakPolarHBondContact O-CB 3.47Å; P74-E77 PolarHBondContact O-N 2.82Å; P74-E77 VanDerWaalsContact O-N 3.08Å; E77-E79 PolarHBondContact O-N 2.94Å
78	Q	94.8	Very high	96.9	Very high	122 Å²	122	62.9 Å²	62.9	57%	0.57	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.5	175.2	67.3	-178.6	9.9	0	0	114.1	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.12Å; W75-Q78 PolarHBondContact O-NE2 2.95Å; V76-Q78 PolarHBondContact O-N 3.46Å; Q78-N198 PolarHBondContact NE2-ND2 3.16Å; Q78-N198 PolarHBondContact NE2-OD1 3.3Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.17Å
79	E	96.6	Very high	97	Very high	12 Å²	12	60.8 Å²	60.8	6%	0.056	31%	0.31	C	S	.	.	S	Bend	trans	-65.7	135	174.8	-66.4	-61.6	159.5	0	0	110.8	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.91Å; V76-E79 WeakPolarHBondContact O-CB 3.38Å; V76-E79 WeakPolarHBondContact O-CG 3.3Å; V76-E79 PolarHBondContact O-N 3.28Å; E77-E79 PolarHBondContact O-N 2.94Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.04Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; E79-W84 PolarHBondContact O-NE1 2.97Å; E79-R194 IonicContact OE1-CZ 3.25Å; E79-R194 IonicContact OE1-NE 2.74Å; E79-R194 PolarHBondContact OE1-NE 3.01Å; E79-R194 IonicContact OE1-NH2 3.66Å; E79-R194 PolarHBondContact OE1-NH2 2.9Å; E79-R194 IonicContact OE2-CZ 3.35Å; E79-R194 IonicContact OE2-NE 3.74Å; E79-R194 IonicContact OE2-NH2 2.77Å; E79-R194 PolarHBondContact OE2-NH2 2.9Å; E79-N198 PolarHBondContact OE1-ND2 2.89Å
80	G	95.8	Very high	97	Very high	35 Å²	35	63.6 Å²	63.6	36%	0.361	32%	0.32	S	S	.	.			trans	-69.4	169	-174.7	0	0	0	0	0	114.2	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.34Å; G80-Y83 WeakPolarHBondContact O-CB 3.21Å; G80-Y83 PolarHBondContact O-N 3.39Å; G80-W84 PolarHBondContact O-N 2.94Å
81	P	96.8	Very high	97	Very high	98 Å²	98	61.2 Å²	61.2	64%	0.636	31%	0.309	S	S	*	.	H	α-helix	trans	-57.4	-35.2	-178.7	22.7	-33.5	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.8Å; P81-W84 PolarHBondContact O-N 3.31Å; P81-D85 WeakPolarHBondContact O-CB 3.34Å; P81-D85 PolarHBondContact O-N 2.86Å
82	E	97.3	Very high	97	Very high	162 Å²	162	63 Å²	63	76%	0.757	31%	0.312	S	S	*	.	H	α-helix	trans	-60.4	-34.9	177.6	-62.8	-178.3	-179.5	0	0	113	G80 R86	G80-E82 PolarHBondContact O-N 3.34Å; E82-R86 WeakPolarHBondContact O-CB 3.38Å; E82-R86 PolarHBondContact O-N 3.07Å
83	Y	97.3	Very high	97.1	Very high	8 Å²	8	65.4 Å²	65.4	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-52.5	174.5	168.9	-92.1	0	0	0	110.1	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.17Å; E79-Y83 HydrophobicContact CB-CD1 3.51Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.13Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.04Å; E79-Y83 HydrophobicContact CG-CD2 4.43Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.21Å; G80-Y83 PolarHBondContact O-N 3.39Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 2.8Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.67Å; Y83-R86 PolarHBondContact O-N 2.83Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.73Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.44Å; Y83-E87 PolarHBondContact O-N 2.99Å; Y83-W191 AromaticContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CH2 3.47Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CZ2 4.2Å; Y83-W191 AromaticContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CE2-CE3 4.16Å; Y83-W191 AromaticContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CZ2 4.47Å; Y83-W191 AromaticContact CE2-CZ3 3.64Å; Y83-W191 HydrophobicContact CE2-CZ3 3.64Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.22Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.45Å; Y83-Y195 PolarHBondContact OH-OH 2.74Å
84	W	97.9	Very high	97.2	Very high	38 Å²	38	66.5 Å²	66.5	14%	0.144	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-38.4	-177.4	-67	112.3	0	0	0	113	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.05Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 3.81Å; P71-W84 HydrophobicContact CG-CH2 4.29Å; P71-W84 HydrophobicContact CG-CZ2 4.26Å; V76-W84 HydrophobicContact CG1-CH2 4.02Å; V76-W84 HydrophobicContact CG1-CZ2 4.25Å; V76-W84 HydrophobicContact CG2-CH2 3.95Å; V76-W84 HydrophobicContact CG2-CZ2 4.02Å; V76-W84 WeakPolarHBondContact O-CZ2 3.2Å; E79-W84 PolarHBondContact O-NE1 2.97Å; G80-W84 PolarHBondContact O-N 2.94Å; P81-W84 PolarHBondContact O-N 3.31Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 2.94Å; W84-T88 PolarHBondContact O-OG1 2.83Å
85	D	97.9	Very high	97.3	Very high	105 Å²	105	62.4 Å²	62.4	56%	0.561	30%	0.3	S	S	*	.	H	α-helix	trans	-64.3	-47.4	174.5	-76	-22	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.34Å; P81-D85 PolarHBondContact O-N 2.86Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 2.67Å; D85-T88 PolarHBondContact O-N 2.7Å; D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.32Å; D85-Q89 PolarHBondContact O-N 2.88Å
86	R	97.3	Very high	97.4	Very high	104 Å²	104	67 Å²	67	39%	0.392	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-46.8	178.6	-176.2	-177.9	65	-140.6	-5.9	112.1	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.38Å; E82-R86 PolarHBondContact O-N 3.07Å; Y83-R86 PolarHBondContact O-N 2.83Å; R86-Q89 PolarHBondContact O-N 3.29Å; R86-K90 WeakPolarHBondContact O-CG 3.46Å; R86-K90 PolarHBondContact O-N 2.93Å
87	E	97.4	Very high	97.4	Very high	10 Å²	10	70.4 Å²	70.4	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-65.2	-42.7	178.4	-66.3	-45.8	116.7	0	0	111.2	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.73Å; Y83-E87 HydrophobicContact CG-CG 4.46Å; Y83-E87 WeakPolarHBondContact O-CG 3.44Å; Y83-E87 PolarHBondContact O-N 2.99Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 2.97Å; E87-K90 WeakPolarHBondContact O-CB 3.49Å; E87-K90 PolarHBondContact O-N 3.38Å; E87-K90 VanDerWaalsContact O-N 3.09Å; E87-K90 WeakPolarHBondContact OE1-CE 3.37Å; E87-K90 IonicContact OE1-NZ 3.95Å; E87-K90 PolarHBondContact OE1-NZ 2.93Å; E87-K90 IonicContact OE2-NZ 3.47Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.38Å; E87-Y91 PolarHBondContact O-N 3.27Å
88	T	98.3	Very high	97.5	Very high	10 Å²	10	64.5 Å²	64.5	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-56.6	-44.1	173.7	-64.2	0	0	0	0	112.1	F60 R68 G69 W84 D85 Y91 K92	F60-T88 HydrophobicContact CE2-CG2 4.47Å; R68-T88 HydrophobicContact CB-CG2 4.23Å; G69-T88 PolarHBondContact N-OG1 2.82Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 2.94Å; W84-T88 PolarHBondContact O-OG1 2.83Å; D85-T88 PolarHBondContact O-N 2.7Å; T88-Y91 PolarHBondContact O-N 3.11Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CG 3.47Å; T88-K92 PolarHBondContact O-N 2.86Å
89	Q	98.2	Very high	97.7	Very high	106 Å²	106	62.3 Å²	62.3	50%	0.495	30%	0.302	S	S	.	.	H	α-helix	trans	-68.4	-34.4	177.2	-67.8	-57.7	-28.5	0	0	112.7	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.32Å; D85-Q89 PolarHBondContact O-N 2.88Å; R86-Q89 PolarHBondContact O-N 3.29Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 2.97Å; Q89-R93 WeakPolarHBondContact O-CB 3.39Å; Q89-R93 WeakPolarHBondContact O-CG 3.38Å; Q89-R93 PolarHBondContact O-N 3.42Å
90	K	97.3	Very high	97.8	Very high	64 Å²	64	65.2 Å²	65.2	28%	0.278	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-48.4	171.9	-73.3	172.9	179.1	172.9	0	111	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.46Å; R86-K90 PolarHBondContact O-N 2.93Å; E87-K90 WeakPolarHBondContact O-CB 3.49Å; E87-K90 PolarHBondContact O-N 3.38Å; E87-K90 VanDerWaalsContact O-N 3.09Å; E87-K90 WeakPolarHBondContact OE1-CE 3.37Å; E87-K90 IonicContact OE1-NZ 3.95Å; E87-K90 PolarHBondContact OE1-NZ 2.93Å; E87-K90 IonicContact OE2-NZ 3.47Å; K90-K92 PolarHBondContact O-N 3.34Å; K90-R93 PolarHBondContact O-N 2.82Å; K90-Q94 PolarHBondContact O-N 2.63Å
91	Y	98.4	Very high	97.9	Very high	4 Å²	4	65.3 Å²	65.3	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-44.3	177.3	-62.7	-47.7	0	0	0	112.3	F33 F46 S48 V58 F60 E87 T88 R93 Q94 A95	F33-Y91 AromaticContact CE1-CD1 3.99Å; F33-Y91 HydrophobicContact CE1-CD1 3.99Å; F33-Y91 AromaticContact CE1-CE1 3.94Å; F33-Y91 HydrophobicContact CE1-CE1 3.94Å; F46-Y91 HydrophobicContact CE1-CD1 4.42Å; S48-Y91 VanDerWaalsContact OG-CE1 3.27Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.49Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.4Å; V58-Y91 HydrophobicContact CG2-CE2 4.24Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.49Å; F60-Y91 HydrophobicContact CB-CD1 4.29Å; F60-Y91 HydrophobicContact CB-CD2 3.6Å; F60-Y91 HydrophobicContact CB-CE2 4.03Å; F60-Y91 HydrophobicContact CB-CG 3.77Å; F60-Y91 HydrophobicContact CD1-CG 4.39Å; F60-Y91 AromaticContact CD2-CD2 3.62Å; F60-Y91 HydrophobicContact CD2-CD2 3.62Å; F60-Y91 AromaticContact CD2-CG 3.89Å; F60-Y91 HydrophobicContact CD2-CG 3.89Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.76Å; F60-Y91 HydrophobicContact CG-CG 3.76Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.38Å; E87-Y91 PolarHBondContact O-N 3.27Å; T88-Y91 PolarHBondContact O-N 3.11Å; Y91-R93 PolarHBondContact O-N 3.16Å; Y91-Q94 PolarHBondContact O-N 2.88Å; Y91-A95 WeakPolarHBondContact O-CB 3.36Å; Y91-A95 PolarHBondContact O-N 3.33Å
92	K	98.3	Very high	98	Very high	86 Å²	86	61 Å²	61	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-41.7	177.1	-73.6	177.5	177.6	175.9	0	112.6	F60 P67 T88 K90 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.35Å; F60-K92 HydrophobicContact CZ-CG 4.08Å; P67-K92 VanDerWaalsContact O-CE 3.22Å; P67-K92 WeakPolarHBondContact O-CE 3.49Å; P67-K92 PolarHBondContact O-NZ 3.18Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CG 3.47Å; T88-K92 PolarHBondContact O-N 2.86Å; K90-K92 PolarHBondContact O-N 3.34Å; K92-A95 PolarHBondContact O-N 3Å; K92-Q96 PolarHBondContact O-N 3.17Å
93	R	98.2	Very high	98	Very high	162 Å²	162	60 Å²	60	61%	0.611	28%	0.277	S	S	*	.	H	α-helix	trans	-66	-40	175	-74.8	-173.6	-65.5	167	-0.3	112	Q89 K90 Y91 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.39Å; Q89-R93 WeakPolarHBondContact O-CG 3.38Å; Q89-R93 PolarHBondContact O-N 3.42Å; K90-R93 PolarHBondContact O-N 2.82Å; Y91-R93 PolarHBondContact O-N 3.16Å; R93-Q96 PolarHBondContact O-N 2.89Å; R93-T97 PolarHBondContact O-N 3.12Å; R93-T97 PolarHBondContact O-OG1 3.04Å
94	Q	98.3	Very high	98	Very high	27 Å²	27	63 Å²	63	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-43	176.8	-168.7	60	46.2	0	0	111.3	F33 F46 K90 Y91 Q96 T97 D98 W121	F33-Q94 HydrophobicContact CD1-CG 4.45Å; F46-Q94 HydrophobicContact CE2-CB 4.03Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.86Å; F46-Q94 HydrophobicContact CZ-CG 3.93Å; K90-Q94 PolarHBondContact O-N 2.63Å; Y91-Q94 PolarHBondContact O-N 2.88Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 2.89Å; Q94-T97 CarbonylContact O-C 3.6Å; Q94-T97 WeakPolarHBondContact O-CA 3.18Å; Q94-T97 WeakPolarHBondContact O-CB 3.37Å; Q94-T97 PolarHBondContact O-N 3.29Å; Q94-D98 PolarHBondContact NE2-OD1 3.22Å; Q94-D98 PolarHBondContact O-N 3.21Å; Q94-W121 HydrophobicContact CG-CE3 4.02Å; Q94-W121 HydrophobicContact CG-CZ3 3.83Å
95	A	98.3	Very high	98	Very high	18 Å²	18	61.5 Å²	61.5	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-56.7	-39.6	175.8	0	0	0	0	0	112.7	F46 Y91 K92 R99	F46-A95 HydrophobicContact CB-CB 3.72Å; F46-A95 HydrophobicContact CD1-CB 3.9Å; F46-A95 HydrophobicContact CD2-CB 3.85Å; F46-A95 HydrophobicContact CE1-CB 4.43Å; F46-A95 HydrophobicContact CE2-CB 4.42Å; F46-A95 HydrophobicContact CG-CB 3.56Å; Y91-A95 WeakPolarHBondContact O-CB 3.36Å; Y91-A95 PolarHBondContact O-N 3.33Å; K92-A95 PolarHBondContact O-N 3Å; A95-R99 WeakPolarHBondContact O-CB 3.33Å; A95-R99 PolarHBondContact O-N 2.9Å
96	Q	98.1	Very high	98	Very high	112 Å²	112	59.2 Å²	59.2	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-68.7	-38.7	174.1	-64.5	-54.8	-42	0	0	112.3	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.17Å; R93-Q96 PolarHBondContact O-N 2.89Å; Q94-Q96 VanDerWaalsContact C-N 3.27Å; Q94-Q96 PolarHBondContact O-N 2.89Å; Q96-R99 WeakPolarHBondContact O-CB 3.29Å; Q96-R99 PolarHBondContact O-N 2.66Å; Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 2.82Å
97	T	98	Very high	98	Very high	72 Å²	72	56.2 Å²	56.2	44%	0.442	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-44.4	177	-57	0	0	0	0	111.2	R93 Q94 R99 V100 S101	R93-T97 PolarHBondContact O-N 3.12Å; R93-T97 PolarHBondContact O-OG1 3.04Å; Q94-T97 CarbonylContact O-C 3.6Å; Q94-T97 WeakPolarHBondContact O-CA 3.18Å; Q94-T97 WeakPolarHBondContact O-CB 3.37Å; Q94-T97 PolarHBondContact O-N 3.29Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 3.13Å; T97-V100 PolarHBondContact O-N 3.08Å; T97-S101 WeakPolarHBondContact O-CB 3.33Å; T97-S101 PolarHBondContact O-N 2.98Å; T97-S101 PolarHBondContact O-OG 3.22Å
98	D	98.2	Very high	98	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-38.7	177.6	-76.8	13.7	0	0	0	111.6	S35 Q94 V100 S101 L102 L119	S35-D98 WeakPolarHBondContact OG-CB 3.44Å; S35-D98 PolarHBondContact OG-OD2 2.83Å; Q94-D98 PolarHBondContact NE2-OD1 3.22Å; Q94-D98 PolarHBondContact O-N 3.21Å; D98-V100 VanDerWaalsContact C-N 3.32Å; D98-V100 PolarHBondContact O-N 2.96Å; D98-S101 PolarHBondContact O-N 3.41Å; D98-L102 WeakPolarHBondContact O-CB 3.45Å; D98-L102 WeakPolarHBondContact O-CG 3.35Å; D98-L102 PolarHBondContact O-N 2.98Å; D98-L119 HydrophobicContact CB-CD2 4.19Å
99	R	98	Very high	98	Very high	76 Å²	76	61.2 Å²	61.2	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-56.9	-46.1	173.6	176.8	-168.9	175.8	179	7.3	111.8	E43 P44 A95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.85Å; E43-R99 IonicContact OE1-NE 3.67Å; E43-R99 IonicContact OE1-NH1 3.18Å; E43-R99 PolarHBondContact OE1-NH1 3.41Å; E43-R99 IonicContact OE1-NH2 3.42Å; E43-R99 PolarHBondContact OE1-NH2 2.85Å; E43-R99 VanDerWaalsContact OE2-CD 3.3Å; E43-R99 WeakPolarHBondContact OE2-CD 3.48Å; E43-R99 IonicContact OE2-CZ 3.5Å; E43-R99 IonicContact OE2-NE 2.74Å; E43-R99 PolarHBondContact OE2-NE 3.48Å; E43-R99 IonicContact OE2-NH1 3.56Å; E43-R99 IonicContact OE2-NH2 2.74Å; E43-R99 PolarHBondContact OE2-NH2 3.46Å; P44-R99 HydrophobicContact CG-CB 4.44Å; P44-R99 HydrophobicContact CG-CG 4.25Å; A95-R99 WeakPolarHBondContact O-CB 3.33Å; A95-R99 PolarHBondContact O-N 2.9Å; Q96-R99 WeakPolarHBondContact O-CB 3.29Å; Q96-R99 PolarHBondContact O-N 2.66Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 3.13Å; R99-R103 PolarHBondContact O-N 2.63Å
100	V	97.9	Very high	98	Very high	73 Å²	73	63.4 Å²	63.4	44%	0.442	31%	0.306	S	S	.	.	H	α-helix	trans	-67.4	-40.8	176.7	175.5	0	0	0	0	110.5	Q96 T97 D98 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 2.82Å; T97-V100 PolarHBondContact O-N 3.08Å; D98-V100 VanDerWaalsContact C-N 3.32Å; D98-V100 PolarHBondContact O-N 2.96Å; V100-R103 WeakPolarHBondContact O-CB 3.41Å; V100-R103 PolarHBondContact O-N 3.19Å; V100-N104 PolarHBondContact O-N 3.2Å
101	S	98.3	Very high	98	Very high	36 Å²	36	63.2 Å²	63.2	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-44.6	179.1	-59	0	0	0	0	112	T97 D98 R103 N104 L105	T97-S101 WeakPolarHBondContact O-CB 3.33Å; T97-S101 PolarHBondContact O-N 2.98Å; T97-S101 PolarHBondContact O-OG 3.22Å; D98-S101 PolarHBondContact O-N 3.41Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.84Å; S101-N104 PolarHBondContact O-N 3.38Å; S101-N104 VanDerWaalsContact O-N 3.11Å; S101-L105 WeakPolarHBondContact O-CB 3.43Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.42Å; S101-L105 PolarHBondContact O-N 3.23Å
102	L	98.4	Very high	97.9	Very high	9 Å²	9	66.9 Å²	66.9	5%	0.047	33%	0.333	C	S	.	.	H	α-helix	trans	-56.7	-40.5	174.1	-78.1	168	0	0	0	112.2	P44 D98 R106 H117 L119 Y142	P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.79Å; D98-L102 WeakPolarHBondContact O-CB 3.45Å; D98-L102 WeakPolarHBondContact O-CG 3.35Å; D98-L102 PolarHBondContact O-N 2.98Å; L102-R106 WeakPolarHBondContact O-CB 3.38Å; L102-R106 PolarHBondContact O-N 2.88Å; L102-R106 VanDerWaalsContact O-N 3.07Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; L102-L119 HydrophobicContact CD2-CB 3.64Å; L102-L119 HydrophobicContact CG-CB 4.05Å; L102-L119 HydrophobicContact CG-CD2 4.5Å; L102-Y142 HydrophobicContact CD2-CE2 4.02Å
103	R	97.2	Very high	97.6	Very high	140 Å²	140	69.1 Å²	69.1	53%	0.528	35%	0.345	S	S	.	.	H	α-helix	trans	-66	-43.2	175.9	-173.6	-174.6	-64	161.3	0.2	111.8	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 2.63Å; V100-R103 WeakPolarHBondContact O-CB 3.41Å; V100-R103 PolarHBondContact O-N 3.19Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.84Å; R103-G107 PolarHBondContact O-N 3.26Å
104	N	97.8	Very high	97.4	Very high	71 Å²	71	65.3 Å²	65.3	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-65.3	-46.9	178.9	-68.9	-19.3	0	0	0	111.4	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 3.2Å; S101-N104 PolarHBondContact O-N 3.38Å; S101-N104 VanDerWaalsContact O-N 3.11Å; N104-G107 CarbonylContact O-C 3.57Å; N104-G107 WeakPolarHBondContact O-CA 3.41Å; N104-G107 PolarHBondContact O-N 3.15Å; N104-G107 VanDerWaalsContact O-N 3.08Å; N104-Y108 HydrophobicContact CB-CE2 4.43Å; N104-Y108 WeakPolarHBondContact O-CD1 3.21Å; N104-Y108 VanDerWaalsContact O-CG 3.32Å; N104-Y108 PolarHBondContact O-N 2.93Å
105	L	98.4	Very high	97.2	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-58.9	-48.8	179	-71.5	164.3	0	0	0	111	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.43Å; S101-L105 VanDerWaalsContact O-CG 3.24Å; S101-L105 WeakPolarHBondContact O-CG 3.42Å; S101-L105 PolarHBondContact O-N 3.23Å; L105-G107 PolarHBondContact O-N 3.34Å; L105-Y108 PolarHBondContact O-N 3.35Å; L105-Y109 HydrophobicContact CD2-CE2 4.24Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.32Å; L105-Y109 PolarHBondContact O-N 2.94Å; L105-L119 HydrophobicContact CD1-CD1 3.8Å; L105-L119 HydrophobicContact CD1-CD2 4.25Å; L105-L119 HydrophobicContact CD1-CG 4.48Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.12Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; 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 4.28Å; L105-Y147 HydrophobicContact CD2-CD2 4.04Å; L105-Y147 HydrophobicContact CD2-CE1 3.73Å; L105-Y147 HydrophobicContact CD2-CE2 3.45Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.45Å; L105-Y147 HydrophobicContact CD2-CG 4.43Å; L105-Y147 WeakPolarHBondContact CD2-OH 2.98Å
106	R	97.5	Very high	97.2	Very high	57 Å²	57	68 Å²	68	22%	0.215	37%	0.372	C	S	.	.	H	α-helix	trans	-52.9	-42.1	173.9	-173.2	-172.3	65.9	-179.9	9.6	112.2	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.38Å; L102-R106 PolarHBondContact O-N 2.88Å; L102-R106 VanDerWaalsContact O-N 3.07Å; R106-N110 PolarHBondContact O-N 3.4Å; R106-N110 VanDerWaalsContact O-N 3.16Å; R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.33Å; R106-Q111 PolarHBondContact O-N 3.33Å; R106-E113 IonicContact CZ-OE1 3.57Å; R106-E113 IonicContact NH1-OE1 3.04Å; R106-E113 IonicContact NH2-OE1 3.51Å; R106-E113 PolarHBondContact NH2-OE1 2.75Å
107	G	97.5	Very high	97.2	Very high	42 Å²	42	63.5 Å²	63.5	43%	0.433	35%	0.351	S	S	.	.	H	α-helix	trans	-65.6	-46.5	175.3	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.26Å; N104-G107 CarbonylContact O-C 3.57Å; N104-G107 WeakPolarHBondContact O-CA 3.41Å; N104-G107 PolarHBondContact O-N 3.15Å; N104-G107 VanDerWaalsContact O-N 3.08Å; L105-G107 PolarHBondContact O-N 3.34Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 3.45Å; G107-N110 PolarHBondContact O-N 2.93Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 3.49Å
108	Y	98.1	Very high	97.2	Very high	56 Å²	56	61.9 Å²	61.9	22%	0.22	34%	0.342	C	S	.	.	H	α-helix	trans	-60.9	-35.3	179.2	-61.6	-19	0	0	0	112.8	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.43Å; N104-Y108 WeakPolarHBondContact O-CD1 3.21Å; N104-Y108 VanDerWaalsContact O-CG 3.32Å; N104-Y108 PolarHBondContact O-N 2.93Å; L105-Y108 PolarHBondContact O-N 3.35Å; Y108-I166 HydrophobicContact CD1-CD1 4.08Å; Y108-I166 HydrophobicContact CE1-CD1 4.41Å; Y108-I166 HydrophobicContact CE1-CG2 4.02Å; Y108-I166 HydrophobicContact CE2-CB 4.36Å; Y108-I166 HydrophobicContact CE2-CG2 4.18Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; Y108-K170 PolarHBondContact OH-NZ 2.94Å
109	Y	98.1	Very high	97.3	Very high	68 Å²	68	62 Å²	62	27%	0.267	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	4.5	178.3	-69	-71.4	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.24Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.32Å; L105-Y109 PolarHBondContact O-N 2.94Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 3.45Å; Y109-Q111 PolarHBondContact O-N 2.95Å; Y109-Y142 AromaticContact CD2-CD1 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.56Å; Y109-Y142 HydrophobicContact CE2-CD1 3.56Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CG-CE1 4.46Å; Y109-Y147 HydrophobicContact CE2-CD2 4.44Å; Y109-Y147 HydrophobicContact CE2-CE2 4.16Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 PolarHBondContact OH-OD2 3.48Å; Y109-A163 HydrophobicContact CD1-CB 4.13Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.59Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	97.2	Very high	97.3	Very high	152 Å²	152	62.2 Å²	62.2	81%	0.813	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	39.2	-177.2	-57.5	-57.2	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.4Å; R106-N110 VanDerWaalsContact O-N 3.16Å; G107-N110 PolarHBondContact O-N 2.93Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 3.49Å
111	Q	97.6	Very high	97.3	Very high	60 Å²	60	59.3 Å²	59.3	28%	0.28	33%	0.328	S	S	.	.			trans	-86.4	152	-176.5	-70.6	169	-33.2	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.78Å; R106-Q111 WeakPolarHBondContact CG-O 3.33Å; R106-Q111 PolarHBondContact O-N 3.33Å; Y109-Q111 PolarHBondContact O-N 2.95Å; Q111-H117 PolarHBondContact NE2-CE1 3.42Å; Q111-H117 PolarHBondContact OE1-CE1 3.34Å; Q111-H117 PolarHBondContact OE1-ND1 3.49Å; Q111-Y142 PolarHBondContact OE1-OH 2.83Å; Q111-D143 PolarHBondContact NE2-OD2 2.94Å
112	S	95.8	Very high	97.4	Very high	82 Å²	82	58.9 Å²	58.9	57%	0.573	32%	0.322	S	S	*	.			trans	-67.1	146.8	179.4	176.5	0	0	0	0	112.6	A114 G115	S112-A114 PolarHBondContact O-N 3.35Å; S112-A114 PolarHBondContact OG-N 3.49Å; S112-G115 PolarHBondContact O-N 2.69Å
113	E	93.3	Very high	97.4	Very high	132 Å²	132	58.6 Å²	58.6	62%	0.617	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.5	174.5	-55.7	-153.1	128.9	0	0	113.9	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.33Å; P39-E113 WeakPolarHBondContact CG-O 3.36Å; R106-E113 IonicContact CZ-OE1 3.57Å; R106-E113 IonicContact NH1-OE1 3.04Å; R106-E113 IonicContact NH2-OE1 3.51Å; R106-E113 PolarHBondContact NH2-OE1 2.75Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	93.8	Very high	97.4	Very high	83 Å²	83	52 Å²	52	69%	0.686	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.6	178.3	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.35Å; S112-A114 PolarHBondContact OG-N 3.49Å
115	G	94.4	Very high	97.4	Very high	25 Å²	25	48.6 Å²	48.6	26%	0.258	28%	0.278	S	S	.	.	S	Bend	trans	-75.5	135.9	-180	0	0	0	0	0	112.7	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.44Å; S112-G115 PolarHBondContact O-N 2.69Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 3.44Å; G115-H117 VanDerWaalsContact O-CD2 3.29Å
116	S	97.6	Very high	97.4	Very high	75 Å²	75	49.4 Å²	49.4	52%	0.524	28%	0.282	S	S	.	.			trans	-82.6	135.7	164.4	179.9	0	0	0	0	108.8	S37	S37-S116 WeakPolarHBondContact O-CB 3.38Å; S37-S116 PolarHBondContact O-OG 2.84Å
117	H	98.4	Very high	97.3	Very high	18 Å²	18	46.9 Å²	46.9	8%	0.083	27%	0.273	C	S	.	.			trans	-133.7	149.7	-175.9	-64.9	-71.9	0	0	0	110.2	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.17Å; S37-H117 PolarHBondContact OG-N 3.1Å; S37-H117 PolarHBondContact OG-O 2.95Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; Q111-H117 PolarHBondContact NE2-CE1 3.42Å; Q111-H117 PolarHBondContact OE1-CE1 3.34Å; Q111-H117 PolarHBondContact OE1-ND1 3.49Å; G115-H117 PolarHBondContact O-CD2 3.44Å; G115-H117 VanDerWaalsContact O-CD2 3.29Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.5Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.34Å; H117-D143 WeakPolarHBondContact CA-OD1 3.32Å; H117-D143 WeakPolarHBondContact CB-OD1 3.5Å; H117-D143 IonicContact CE1-OD2 3.11Å; H117-D143 IonicContact CG-OD1 3.84Å; H117-D143 IonicContact CG-OD2 3.59Å; H117-D143 IonicContact ND1-OD1 3.61Å; H117-D143 PolarHBondContact ND1-OD1 3.12Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.84Å
118	T	98.8	Very high	97.1	Very high	39 Å²	39	45.3 Å²	45.3	24%	0.239	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.1	-176.9	-56.7	0	0	0	0	110.3	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.03Å; S35-T118 CarbonylContact O-C 3.58Å; S35-T118 WeakPolarHBondContact O-CA 3.4Å; V36-T118 HydrophobicContact CG2-CG2 4.22Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.3Å; T118-Y142 VanDerWaalsContact O-CD2 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 3.48Å; T118-D143 PolarHBondContact N-OD1 2.97Å; T118-D143 PolarHBondContact O-N 3.49Å
119	L	98.9	Very high	96.7	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.6	169.3	175.5	62.2	0	0	0	108.2	S35 D98 L102 L105 Y140	S35-L119 PolarHBondContact N-O 2.94Å; S35-L119 PolarHBondContact O-N 3.01Å; D98-L119 HydrophobicContact CB-CD2 4.19Å; L102-L119 HydrophobicContact CD2-CB 3.64Å; L102-L119 HydrophobicContact CG-CB 4.05Å; L102-L119 HydrophobicContact CG-CD2 4.5Å; L105-L119 HydrophobicContact CD1-CD1 3.8Å; L105-L119 HydrophobicContact CD1-CD2 4.25Å; L105-L119 HydrophobicContact CD1-CG 4.48Å; L119-Y140 HydrophobicContact CD1-CD1 4.15Å
120	Q	98.8	Very high	96.2	Very high	79 Å²	79	48.4 Å²	48.4	37%	0.369	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.7	176.3	-65.6	172.2	-86.8	0	0	109.6	F33 T34 T118 Y140 A141	F33-Q120 CarbonylContact O-C 3.6Å; F33-Q120 VanDerWaalsContact O-CA 3.26Å; F33-Q120 WeakPolarHBondContact O-CA 3.39Å; T34-Q120 HydrophobicContact CG2-CG 4.15Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; Q120-Y140 CarbonylContact O-C 3.58Å; Q120-Y140 VanDerWaalsContact O-CA 3.25Å; Q120-Y140 WeakPolarHBondContact O-CA 3.45Å; Q120-A141 HydrophobicContact CB-CB 4.34Å; Q120-A141 PolarHBondContact N-O 2.84Å; Q120-A141 PolarHBondContact O-N 2.82Å
121	W	98.6	Very high	95.8	Very high	13 Å²	13	42 Å²	42	5%	0.049	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.8	174.5	176.4	35.3	0	0	0	109.1	F33 Q94 C123 D138 Q139 Y140	F33-W121 HydrophobicContact CB-CB 4.2Å; F33-W121 HydrophobicContact CB-CE3 4.47Å; F33-W121 HydrophobicContact CD2-CB 4.15Å; F33-W121 AromaticContact CD2-CD2 3.73Å; F33-W121 HydrophobicContact CD2-CD2 3.73Å; F33-W121 AromaticContact CD2-CE3 3.33Å; F33-W121 HydrophobicContact CD2-CE3 3.33Å; F33-W121 HydrophobicContact CD2-CG 4.1Å; F33-W121 AromaticContact CD2-CZ3 3.97Å; F33-W121 HydrophobicContact CD2-CZ3 3.97Å; F33-W121 WeakPolarHBondContact CD2-O 3.44Å; F33-W121 HydrophobicContact CE2-CD2 4.06Å; F33-W121 AromaticContact CE2-CE3 3.59Å; F33-W121 HydrophobicContact CE2-CE3 3.59Å; F33-W121 HydrophobicContact CE2-CH2 4.36Å; F33-W121 AromaticContact CE2-CZ3 3.74Å; F33-W121 HydrophobicContact CE2-CZ3 3.74Å; F33-W121 AromaticContact CG-CE3 3.89Å; F33-W121 HydrophobicContact CG-CE3 3.89Å; F33-W121 HydrophobicContact CZ-CE3 4.3Å; F33-W121 HydrophobicContact CZ-CZ3 4.1Å; F33-W121 PolarHBondContact N-O 3.44Å; F33-W121 PolarHBondContact O-N 2.91Å; Q94-W121 HydrophobicContact CG-CE3 4.02Å; Q94-W121 HydrophobicContact CG-CZ3 3.83Å; W121-C123 HydrophobicContact CZ2-CB 3.9Å; W121-D138 PolarHBondContact NE1-OD1 2.71Å; W121-Q139 WeakPolarHBondContact CA-O 3.38Å; W121-Y140 HydrophobicContact CB-CD1 3.65Å; W121-Y140 HydrophobicContact CB-CE1 3.5Å; W121-Y140 VanDerWaalsContact CB-CE1 3.5Å; W121-Y140 HydrophobicContact CB-CG 4.38Å; W121-Y140 AromaticContact CD1-CD1 3.94Å; W121-Y140 AromaticContact CD1-CD2 3.74Å; W121-Y140 AromaticContact CD1-CE1 3.6Å; W121-Y140 AromaticContact CD1-CE2 3.37Å; W121-Y140 AromaticContact CD1-CZ 3.3Å; W121-Y140 AromaticContact CD2-CE1 3.86Å; W121-Y140 HydrophobicContact CD2-CE1 3.86Å; W121-Y140 HydrophobicContact CD2-CE2 4.4Å; W121-Y140 AromaticContact CD2-CZ 3.64Å; W121-Y140 AromaticContact CE2-CZ 3.67Å; W121-Y140 VanDerWaalsContact CE2-OH 3.24Å; W121-Y140 AromaticContact CG-CD1 3.88Å; W121-Y140 HydrophobicContact CG-CD1 3.88Å; W121-Y140 HydrophobicContact CG-CD2 4.45Å; W121-Y140 AromaticContact CG-CE1 3.37Å; W121-Y140 HydrophobicContact CG-CE1 3.37Å; W121-Y140 HydrophobicContact CG-CE2 4.01Å; W121-Y140 HydrophobicContact CG-CG 4.39Å; W121-Y140 AromaticContact CG-CZ 3.45Å; W121-Y140 VanDerWaalsContact CG-CZ 3.45Å; W121-Y140 AromaticContact NE1-CE2 3.42Å; W121-Y140 AromaticContact NE1-CZ 3.41Å; W121-Y140 PolarHBondContact NE1-OH 3.03Å
122	M	98.6	Very high	95.6	Very high	26 Å²	26	47.4 Å²	47.4	13%	0.128	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128	169.6	-174.5	-80.4	-75.3	0	0	109	K30 Y31 F32 Y137 D138 Q139	K30-M122 HydrophobicContact CG-SD 4.49Å; Y31-M122 WeakPolarHBondContact O-CA 3.28Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.24Å; F32-M122 HydrophobicContact CE1-CG 3.44Å; F32-M122 VanDerWaalsContact CE1-CG 3.44Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 4.1Å; M122-Y137 HydrophobicContact CE-CD1 3.98Å; M122-Y137 HydrophobicContact CE-CG 4.04Å; M122-Y137 HydrophobicContact SD-CG 4.37Å; M122-D138 WeakPolarHBondContact O-CA 3.44Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 VanDerWaalsContact CE-CD 3.46Å; M122-Q139 HydrophobicContact CE-CG 3.83Å; M122-Q139 PolarHBondContact N-O 2.9Å; M122-Q139 PolarHBondContact O-N 3.06Å
123	C	98.3	Very high	95.7	Very high	4 Å²	4	46 Å²	46	3%	0.027	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.9	171.1	68	0	0	0	0	111.4	Y31 W121 Y137	Y31-C123 PolarHBondContact N-O 3.05Å; Y31-C123 PolarHBondContact O-N 3.45Å; Y31-C123 VanDerWaalsContact O-N 3.09Å; W121-C123 HydrophobicContact CZ2-CB 3.9Å; C123-Y137 WeakPolarHBondContact CA-O 3.35Å; C123-Y137 WeakPolarHBondContact CB-O 3.19Å
124	G	98.3	Very high	95.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	176.4	-174.2	0	0	0	0	0	114.4	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.53Å; M29-G124 WeakPolarHBondContact O-CA 3.15Å; G124-G136 CarbonylContact O-C 3.53Å; G124-G136 WeakPolarHBondContact O-CA 3.33Å; G124-Y137 PolarHBondContact N-O 3.36Å; G124-Y137 PolarHBondContact O-N 3.41Å; G124-L184 WeakPolarHBondContact O-CD2 3.47Å
125	C	98.3	Very high	95.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.6	179	52.9	0	0	0	0	110.8	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.55Å; S28-C125 VanDerWaalsContact CA-O 3.32Å; S28-C125 WeakPolarHBondContact CA-O 3.03Å; M29-C125 PolarHBondContact N-O 3.3Å; M29-C125 PolarHBondContact O-N 2.94Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.34Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 2.89Å; C125-C188 WeakPolarHBondContact SG-CB 3.47Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.12Å
126	N	97.4	Very high	96.1	Very high	24 Å²	24	45.4 Å²	45.4	13%	0.128	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.5	168.9	-63.7	-1.5	0	0	0	109.2	H27 S28 L134 R135 Y137	H27-N126 CarbonylContact O-C 3.44Å; H27-N126 WeakPolarHBondContact O-CA 3.39Å; S28-N126 WeakPolarHBondContact CB-OD1 3.35Å; N126-L134 HydrophobicContact CB-CB 4.45Å; N126-L134 PolarHBondContact O-N 2.8Å; N126-R135 HydrophobicContact CB-CB 4.46Å; N126-R135 PolarHBondContact N-O 2.9Å; N126-R135 PolarHBondContact O-N 2.81Å; N126-Y137 PolarHBondContact ND2-OH 3.44Å; N126-Y137 WeakPolarHBondContact OD1-CE2 3.34Å
127	L	96.4	Very high	96.1	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.7	172	-53.9	-177.7	0	0	0	110	S26 H27 R132 V189 L192 R193	S26-L127 WeakPolarHBondContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CB-O 3.46Å; H27-L127 PolarHBondContact N-O 3.47Å; H27-L127 VanDerWaalsContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 2.86Å; L127-R132 CarbonylContact C-O 3.51Å; L127-R132 WeakPolarHBondContact CA-O 3.49Å; L127-V189 HydrophobicContact CD1-CG1 4.44Å; L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.8Å; L127-V189 HydrophobicContact CD2-CG2 3.85Å; L127-L192 HydrophobicContact CD1-CB 4.25Å; L127-L192 HydrophobicContact CD1-CD2 3.69Å; L127-L192 HydrophobicContact CD1-CG 3.77Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.24Å; L127-R193 HydrophobicContact CD1-CG 3.94Å
128	G	93.1	Very high	96.1	Very high	8 Å²	8	43 Å²	43	8%	0.082	22%	0.216	C	C	.	.			trans	-70.4	175.8	165.6	0	0	0	0	0	111.8	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.71Å; G128-G131 WeakPolarHBondContact O-CA 3.42Å; G128-G131 PolarHBondContact O-N 3.35Å; G128-R132 PolarHBondContact N-O 2.75Å
129	P	88.6	Confident	96	Very high	90 Å²	90	44.7 Å²	44.7	58%	0.584	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.4	177.9	-17.8	26	0	0	0	113.9	A24 C25 G131	A24-P129 HydrophobicContact CB-CG 3.5Å; C25-P129 WeakPolarHBondContact O-CA 3.45Å; P129-G131 PolarHBondContact O-N 3.1Å
130	D	88.8	Confident	96	Very high	99 Å²	99	45.4 Å²	45.4	53%	0.529	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	2.8	174.4	70.2	-14.3	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.71Å; D130-R132 PolarHBondContact O-N 2.86Å; D130-R132 WeakPolarHBondContact OD1-CB 3.42Å; D130-R132 PolarHBondContact OD1-N 3.32Å; D130-R132 WeakPolarHBondContact OD2-CD 3.07Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.35Å; D130-R132 IonicContact OD2-NE 3.61Å
131	G	89	Confident	96	Very high	19 Å²	19	42.5 Å²	42.5	20%	0.196	21%	0.213	C	C	.	.	S	Bend	trans	71.7	10.1	-178.5	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.42Å; G128-G131 PolarHBondContact O-N 3.35Å; P129-G131 PolarHBondContact O-N 3.1Å; G131-R193 VanDerWaalsContact O-CZ 3.31Å; G131-R193 PolarHBondContact O-NE 2.77Å; G131-R193 VanDerWaalsContact O-NE 3.1Å; G131-R193 PolarHBondContact O-NH2 2.99Å
132	R	93.6	Very high	96.1	Very high	173 Å²	173	42.4 Å²	42.4	65%	0.653	21%	0.213	S	C	*	.	S	Bend	trans	-89.2	154	178.5	-61.9	-173.3	-175.4	174	-1.9	111.3	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.51Å; L127-R132 WeakPolarHBondContact CA-O 3.49Å; G128-R132 PolarHBondContact N-O 2.75Å; D130-R132 PolarHBondContact O-N 2.86Å; D130-R132 WeakPolarHBondContact OD1-CB 3.42Å; D130-R132 PolarHBondContact OD1-N 3.32Å; D130-R132 WeakPolarHBondContact OD2-CD 3.07Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.35Å; D130-R132 IonicContact OD2-NE 3.61Å; R132-L134 PolarHBondContact O-N 2.74Å; R132-L134 VanDerWaalsContact O-N 3.11Å
133	L	96.4	Very high	96.1	Very high	52 Å²	52	44.2 Å²	44.2	27%	0.272	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	117	175.6	-177	71.9	0	0	0	109.8	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.32Å; L133-L154 HydrophobicContact CD2-CD1 4.15Å; L133-E185 HydrophobicContact CD2-CB 4.42Å; L133-E185 HydrophobicContact CD2-CG 3.71Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.09Å
134	L	95.6	Very high	96	Very high	124 Å²	124	46.8 Å²	46.8	65%	0.649	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	-43	171.5	-176.9	65.5	0	0	0	110.6	N126 R132	N126-L134 HydrophobicContact CB-CB 4.45Å; N126-L134 PolarHBondContact O-N 2.8Å; R132-L134 PolarHBondContact O-N 2.74Å; R132-L134 VanDerWaalsContact O-N 3.11Å
135	R	96.1	Very high	96	Very high	97 Å²	97	54.5 Å²	54.5	37%	0.366	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	140.2	-177.4	-174.6	164.2	175	143.2	12.9	111.9	C125 N126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.34Å; N126-R135 HydrophobicContact CB-CB 4.46Å; N126-R135 PolarHBondContact N-O 2.9Å; N126-R135 PolarHBondContact O-N 2.81Å; L133-R135 WeakPolarHBondContact CD1-O 3.32Å; R135-Y137 HydrophobicContact CB-CE2 4.22Å; R135-Y137 VanDerWaalsContact CD-CZ 3.5Å; R135-Y137 VanDerWaalsContact CD-OH 3.32Å; R135-Y137 WeakPolarHBondContact CD-OH 3.33Å; R135-Y137 HydrophobicContact CG-CD2 4.44Å; R135-Y137 HydrophobicContact CG-CE1 4.16Å; R135-Y137 HydrophobicContact CG-CE2 3.85Å; R135-Y137 VanDerWaalsContact NE-CE1 3.26Å; R135-E152 IonicContact CZ-OE1 3.54Å; R135-E152 IonicContact NH1-OE1 2.66Å; R135-E152 PolarHBondContact NH1-OE1 2.83Å; R135-E152 IonicContact NH2-OE1 3.66Å; R135-E152 PolarHBondContact NH2-OE1 2.99Å
136	G	97.7	Very high	96.1	Very high	6 Å²	6	60.4 Å²	60.4	6%	0.062	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	152.3	168.4	0	0	0	0	0	111.5	G124	G124-G136 CarbonylContact O-C 3.53Å; G124-G136 WeakPolarHBondContact O-CA 3.33Å
137	Y	97.8	Very high	96.1	Very high	41 Å²	41	59.7 Å²	59.7	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.1	179.3	-57	-93.1	0	0	0	110.3	M122 C123 G124 N126 R135	M122-Y137 HydrophobicContact CE-CD1 3.98Å; M122-Y137 HydrophobicContact CE-CG 4.04Å; M122-Y137 HydrophobicContact SD-CG 4.37Å; C123-Y137 WeakPolarHBondContact CA-O 3.35Å; C123-Y137 WeakPolarHBondContact CB-O 3.19Å; G124-Y137 PolarHBondContact N-O 3.36Å; G124-Y137 PolarHBondContact O-N 3.41Å; N126-Y137 PolarHBondContact ND2-OH 3.44Å; N126-Y137 WeakPolarHBondContact OD1-CE2 3.34Å; R135-Y137 HydrophobicContact CB-CE2 4.22Å; R135-Y137 VanDerWaalsContact CD-CZ 3.5Å; R135-Y137 VanDerWaalsContact CD-OH 3.32Å; R135-Y137 WeakPolarHBondContact CD-OH 3.33Å; R135-Y137 HydrophobicContact CG-CD2 4.44Å; R135-Y137 HydrophobicContact CG-CE1 4.16Å; R135-Y137 HydrophobicContact CG-CE2 3.85Å; R135-Y137 VanDerWaalsContact NE-CE1 3.26Å
138	D	98.4	Very high	96.2	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.011	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	100.6	166.8	-165	-39	0	0	0	108	W121 M122 Y140 L150 R180	W121-D138 PolarHBondContact NE1-OD1 2.71Å; M122-D138 WeakPolarHBondContact O-CA 3.44Å; D138-Y140 VanDerWaalsContact OD1-CE2 3.22Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.23Å; D138-L150 HydrophobicContact CB-CB 3.91Å; D138-L150 HydrophobicContact CB-CD2 4.07Å; D138-L150 WeakPolarHBondContact O-CB 3.35Å; D138-L150 PolarHBondContact O-N 3.36Å; D138-R180 WeakPolarHBondContact OD2-CD 3.46Å; D138-R180 VanDerWaalsContact OD2-CG 3.31Å; D138-R180 WeakPolarHBondContact OD2-CG 3.41Å; D138-R180 IonicContact OD2-CZ 3.43Å; D138-R180 IonicContact OD2-NE 3.69Å; D138-R180 PolarHBondContact OD2-NE 2.85Å; D138-R180 VanDerWaalsContact OD2-NE 3.13Å
139	Q	98.5	Very high	96.5	Very high	74 Å²	74	60.8 Å²	60.8	35%	0.346	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139	-172.4	62.1	-173.5	73.2	0	0	112.3	W121 M122 A149	W121-Q139 WeakPolarHBondContact CA-O 3.38Å; M122-Q139 HydrophobicContact CB-CG 4.11Å; M122-Q139 VanDerWaalsContact CE-CD 3.46Å; M122-Q139 HydrophobicContact CE-CG 3.83Å; M122-Q139 PolarHBondContact N-O 2.9Å; M122-Q139 PolarHBondContact O-N 3.06Å; Q139-A149 HydrophobicContact CB-CB 3.85Å
140	Y	98.8	Very high	97	Very high	19 Å²	19	57.2 Å²	57.2	8%	0.075	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.6	-178.5	-68	-100.5	0	0	0	110.8	L119 Q120 W121 D138 Y147 I148 W171 R180	L119-Y140 HydrophobicContact CD1-CD1 4.15Å; Q120-Y140 CarbonylContact O-C 3.58Å; Q120-Y140 VanDerWaalsContact O-CA 3.25Å; Q120-Y140 WeakPolarHBondContact O-CA 3.45Å; W121-Y140 HydrophobicContact CB-CD1 3.65Å; W121-Y140 HydrophobicContact CB-CE1 3.5Å; W121-Y140 VanDerWaalsContact CB-CE1 3.5Å; W121-Y140 HydrophobicContact CB-CG 4.38Å; W121-Y140 AromaticContact CD1-CD1 3.94Å; W121-Y140 AromaticContact CD1-CD2 3.74Å; W121-Y140 AromaticContact CD1-CE1 3.6Å; W121-Y140 AromaticContact CD1-CE2 3.37Å; W121-Y140 AromaticContact CD1-CZ 3.3Å; W121-Y140 AromaticContact CD2-CE1 3.86Å; W121-Y140 HydrophobicContact CD2-CE1 3.86Å; W121-Y140 HydrophobicContact CD2-CE2 4.4Å; W121-Y140 AromaticContact CD2-CZ 3.64Å; W121-Y140 AromaticContact CE2-CZ 3.67Å; W121-Y140 VanDerWaalsContact CE2-OH 3.24Å; W121-Y140 AromaticContact CG-CD1 3.88Å; W121-Y140 HydrophobicContact CG-CD1 3.88Å; W121-Y140 HydrophobicContact CG-CD2 4.45Å; W121-Y140 AromaticContact CG-CE1 3.37Å; W121-Y140 HydrophobicContact CG-CE1 3.37Å; W121-Y140 HydrophobicContact CG-CE2 4.01Å; W121-Y140 HydrophobicContact CG-CG 4.39Å; W121-Y140 AromaticContact CG-CZ 3.45Å; W121-Y140 VanDerWaalsContact CG-CZ 3.45Å; W121-Y140 AromaticContact NE1-CE2 3.42Å; W121-Y140 AromaticContact NE1-CZ 3.41Å; W121-Y140 PolarHBondContact NE1-OH 3.03Å; D138-Y140 VanDerWaalsContact OD1-CE2 3.22Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.23Å; Y140-Y147 WeakPolarHBondContact O-CB 3.4Å; Y140-Y147 PolarHBondContact O-N 3.5Å; Y140-I148 HydrophobicContact CD2-CG2 4.16Å; Y140-I148 HydrophobicContact CG-CG2 4.48Å; Y140-I148 PolarHBondContact N-O 3.25Å; Y140-I148 PolarHBondContact O-N 3.21Å; Y140-W171 AromaticContact CD2-CH2 3.7Å; Y140-W171 HydrophobicContact CD2-CH2 3.7Å; Y140-W171 HydrophobicContact CD2-CZ3 4.2Å; Y140-W171 AromaticContact CE2-CH2 3.4Å; Y140-W171 HydrophobicContact CE2-CH2 3.4Å; Y140-W171 HydrophobicContact CE2-CZ2 4.39Å; Y140-W171 HydrophobicContact CE2-CZ3 4.03Å; Y140-W171 HydrophobicContact CG-CH2 4.48Å; Y140-W171 AromaticContact CZ-CH2 3.97Å; Y140-R180 PolarHBondContact OH-NH2 3.16Å
141	A	98.9	Very high	97.4	Very high	17 Å²	17	54.6 Å²	54.6	14%	0.14	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.9	171.3	0	0	0	0	0	110.4	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.34Å; Q120-A141 PolarHBondContact N-O 2.84Å; Q120-A141 PolarHBondContact O-N 2.82Å; A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.37Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.46Å
142	Y	98.8	Very high	97.8	Very high	12 Å²	12	60 Å²	60	5%	0.047	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.4	177.6	-175.6	-116.2	0	0	0	110.1	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.02Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.12Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.57Å; 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 3.78Å; Y109-Y142 HydrophobicContact CD2-CD1 3.78Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.56Å; Y109-Y142 HydrophobicContact CE2-CD1 3.56Å; Y109-Y142 AromaticContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CE2-CE1 3.86Å; Y109-Y142 HydrophobicContact CG-CE1 4.46Å; Q111-Y142 PolarHBondContact OE1-OH 2.83Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.5Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.34Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.3Å; T118-Y142 VanDerWaalsContact O-CD2 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 3.48Å; Y142-G144 PolarHBondContact O-N 2.81Å; Y142-K145 PolarHBondContact N-O 3.02Å; Y142-K145 PolarHBondContact O-N 2.94Å
143	D	98.4	Very high	98	Very high	63 Å²	63	55.5 Å²	55.5	34%	0.337	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	39.7	-174.7	-66.3	-22.9	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.94Å; H117-D143 WeakPolarHBondContact CA-OD1 3.32Å; H117-D143 WeakPolarHBondContact CB-OD1 3.5Å; H117-D143 IonicContact CE1-OD2 3.11Å; H117-D143 IonicContact CG-OD1 3.84Å; H117-D143 IonicContact CG-OD2 3.59Å; H117-D143 IonicContact ND1-OD1 3.61Å; H117-D143 PolarHBondContact ND1-OD1 3.12Å; H117-D143 IonicContact ND1-OD2 2.72Å; H117-D143 PolarHBondContact ND1-OD2 2.84Å; T118-D143 PolarHBondContact N-OD1 2.97Å; T118-D143 PolarHBondContact O-N 3.49Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.92Å
144	G	97.6	Very high	98.1	Very high	59 Å²	59	53.4 Å²	53.4	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	8.3	177.8	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 2.81Å
145	K	98.6	Very high	98.1	Very high	161 Å²	161	55.3 Å²	55.3	70%	0.7	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.3	176.7	-61.9	-179.6	-177.4	178.9	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.37Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.46Å; Y142-K145 PolarHBondContact N-O 3.02Å; Y142-K145 PolarHBondContact O-N 2.94Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.92Å; K145-Y147 PolarHBondContact O-N 3.02Å
146	D	98.7	Very high	98.2	Very high	125 Å²	125	52.6 Å²	52.6	67%	0.668	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.5	135.6	173.4	-67.5	-33.6	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.43Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å
147	Y	98.8	Very high	98.3	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.035	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-63.8	-179.5	179.2	-111.8	0	0	0	110.6	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.28Å; L105-Y147 HydrophobicContact CD2-CD2 4.04Å; L105-Y147 HydrophobicContact CD2-CE1 3.73Å; L105-Y147 HydrophobicContact CD2-CE2 3.45Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.45Å; L105-Y147 HydrophobicContact CD2-CG 4.43Å; L105-Y147 WeakPolarHBondContact CD2-OH 2.98Å; Y109-Y147 HydrophobicContact CE2-CD2 4.44Å; Y109-Y147 HydrophobicContact CE2-CE2 4.16Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.43Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.49Å; Y140-Y147 WeakPolarHBondContact O-CB 3.4Å; Y140-Y147 PolarHBondContact O-N 3.5Å; K145-Y147 PolarHBondContact O-N 3.02Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.42Å; Y147-A163 HydrophobicContact CE2-CB 4.49Å; Y147-A163 PolarHBondContact OH-O 3.36Å; Y147-A163 VanDerWaalsContact OH-O 3.11Å; Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.64Å; Y147-A164 HydrophobicContact CG-CB 4.33Å; Y147-A164 WeakPolarHBondContact O-CB 3.22Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.29Å; Y147-T167 PolarHBondContact OH-OG1 3.14Å
148	I	98.8	Very high	98.3	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	140.7	178.2	-163.1	172.1	0	0	0	110.2	Y140 W157 T158 T167 Q168 W171	Y140-I148 HydrophobicContact CD2-CG2 4.16Å; Y140-I148 HydrophobicContact CG-CG2 4.48Å; Y140-I148 PolarHBondContact N-O 3.25Å; Y140-I148 PolarHBondContact O-N 3.21Å; I148-W157 HydrophobicContact CD1-CB 4.16Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.25Å; I148-W157 HydrophobicContact CG1-CE3 4.09Å; I148-T158 WeakPolarHBondContact CA-O 3.42Å; I148-T158 WeakPolarHBondContact CG1-O 3.31Å; I148-T167 HydrophobicContact CD1-CG2 4.27Å; I148-Q168 HydrophobicContact CD1-CB 3.85Å; I148-W171 HydrophobicContact CD1-CE3 4.12Å; I148-W171 HydrophobicContact CD1-CZ3 4.3Å; I148-W171 HydrophobicContact CG2-CE3 4.48Å; I148-W171 HydrophobicContact CG2-CH2 3.94Å; I148-W171 HydrophobicContact CG2-CZ3 3.65Å
149	A	98.8	Very high	98.3	Very high	31 Å²	31	55.5 Å²	55.5	26%	0.256	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.9	179.4	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.85Å; A149-W157 CarbonylContact O-C 3.5Å; A149-W157 WeakPolarHBondContact O-CA 3.34Å; A149-T158 PolarHBondContact N-O 3.32Å; A149-T158 PolarHBondContact O-N 2.84Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	54.8 Å²	54.8	7%	0.073	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.9	168.8	-174.3	67.6	0	0	0	108.6	D138 L154 W157 A177 R180 L184	D138-L150 HydrophobicContact CB-CB 3.91Å; D138-L150 HydrophobicContact CB-CD2 4.07Å; D138-L150 WeakPolarHBondContact O-CB 3.35Å; D138-L150 PolarHBondContact O-N 3.36Å; L150-L154 HydrophobicContact CD2-CB 4.43Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.64Å; L150-W157 HydrophobicContact CD1-CD2 4.11Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.05Å; L150-W157 HydrophobicContact CD1-CZ2 3.88Å; L150-W157 HydrophobicContact CD1-CZ3 4.23Å; L150-A177 HydrophobicContact CD1-CB 3.96Å; L150-R180 HydrophobicContact CD2-CB 4.06Å; L150-L184 HydrophobicContact CD2-CD1 3.96Å
151	N	98.5	Very high	98.3	Very high	45 Å²	45	56.4 Å²	56.4	24%	0.241	31%	0.313	C	S	.	.			trans	-72.1	164	-179.8	-67.6	-29.4	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.44Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 2.92Å; N151-S156 WeakPolarHBondContact CB-O 3.06Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 2.91Å; N151-S156 PolarHBondContact ND2-O 3.3Å; N151-S156 PolarHBondContact ND2-OG 3.28Å; N151-T158 PolarHBondContact ND2-OG1 3.4Å; N151-T158 WeakPolarHBondContact OD1-CB 3.25Å; N151-T158 PolarHBondContact OD1-OG1 2.88Å
152	E	96.9	Very high	98.3	Very high	133 Å²	133	61 Å²	61	62%	0.621	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-21.3	-179.6	-66.5	-179.9	-168.9	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 3.54Å; R135-E152 IonicContact NH1-OE1 2.66Å; R135-E152 PolarHBondContact NH1-OE1 2.83Å; R135-E152 IonicContact NH2-OE1 3.66Å; R135-E152 PolarHBondContact NH2-OE1 2.99Å; E152-L154 PolarHBondContact O-N 2.91Å
153	D	97.1	Very high	98.3	Very high	77 Å²	77	60.6 Å²	60.6	41%	0.412	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.5	174	70.3	3.7	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.44Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-R155 WeakPolarHBondContact O-CG 3.12Å; D153-R155 PolarHBondContact O-N 3.39Å; D153-R155 PolarHBondContact OD1-N 3.02Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.48Å; D153-S156 PolarHBondContact OD1-OG 3.33Å; D153-S156 VanDerWaalsContact OD1-OG 3.13Å; D153-S156 WeakPolarHBondContact OD2-CB 3.19Å; D153-S156 PolarHBondContact OD2-OG 3.41Å
154	L	97.8	Very high	98.3	Very high	9 Å²	9	57.6 Å²	57.6	5%	0.047	32%	0.323	C	S	.	.	S	Bend	trans	53.7	27.5	-175.2	-53.8	-179	0	0	0	113.8	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.15Å; L150-L154 HydrophobicContact CD2-CB 4.43Å; L150-L154 HydrophobicContact CD2-CD2 3.8Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; N151-L154 PolarHBondContact O-N 2.92Å; E152-L154 PolarHBondContact O-N 2.91Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L154-E185 HydrophobicContact CD1-CG 4.17Å
155	R	97.5	Very high	98.3	Very high	163 Å²	163	58.4 Å²	58.4	62%	0.615	31%	0.311	S	S	*	.	S	Bend	trans	-134.6	-32.2	-173.5	-71.5	169.4	-175.8	-103.3	12.1	112.9	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.12Å; D153-R155 PolarHBondContact O-N 3.39Å; D153-R155 PolarHBondContact OD1-N 3.02Å; R155-A177 WeakPolarHBondContact O-CB 3.45Å; R155-R181 VanDerWaalsContact CZ-NH1 3.3Å
156	S	97.9	Very high	98.3	Very high	40 Å²	40	53.6 Å²	53.6	28%	0.28	29%	0.292	S	S	.	.			trans	-115.3	160.9	-177.5	63	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.06Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 2.91Å; N151-S156 PolarHBondContact ND2-O 3.3Å; N151-S156 PolarHBondContact ND2-OG 3.28Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.48Å; D153-S156 PolarHBondContact OD1-OG 3.33Å; D153-S156 VanDerWaalsContact OD1-OG 3.13Å; D153-S156 WeakPolarHBondContact OD2-CB 3.19Å; D153-S156 PolarHBondContact OD2-OG 3.41Å
157	W	98.7	Very high	98.3	Very high	10 Å²	10	48.3 Å²	48.3	4%	0.038	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.1	-178.5	-61	92.1	0	0	0	110.8	I148 A149 L150 Q168 W171 E176 A177 R180	I148-W157 HydrophobicContact CD1-CB 4.16Å; I148-W157 HydrophobicContact CD1-CD2 4.45Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.25Å; I148-W157 HydrophobicContact CG1-CE3 4.09Å; A149-W157 CarbonylContact O-C 3.5Å; A149-W157 WeakPolarHBondContact O-CA 3.34Å; L150-W157 HydrophobicContact CB-CE3 3.97Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.64Å; L150-W157 HydrophobicContact CD1-CD2 4.11Å; L150-W157 HydrophobicContact CD1-CE3 4.27Å; L150-W157 HydrophobicContact CD1-CH2 4.05Å; L150-W157 HydrophobicContact CD1-CZ2 3.88Å; L150-W157 HydrophobicContact CD1-CZ3 4.23Å; W157-Q168 HydrophobicContact CB-CG 4.18Å; W157-Q168 PolarHBondContact O-NE2 3.47Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.44Å; W157-W171 AromaticContact CE2-CE3 3.78Å; W157-W171 AromaticContact CE3-CE3 3.83Å; W157-W171 HydrophobicContact CE3-CE3 3.83Å; W157-W171 AromaticContact CE3-CZ3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 3.87Å; W157-W171 AromaticContact CH2-CE3 3.49Å; W157-W171 HydrophobicContact CH2-CE3 3.49Å; W157-W171 VanDerWaalsContact CH2-CE3 3.49Å; W157-W171 AromaticContact CH2-CZ3 3.49Å; W157-W171 HydrophobicContact CH2-CZ3 3.49Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.49Å; W157-W171 HydrophobicContact CZ2-CD2 4.49Å; W157-W171 AromaticContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CZ3 4.09Å; W157-W171 AromaticContact CZ3-CE3 3.63Å; W157-W171 HydrophobicContact CZ3-CE3 3.63Å; W157-W171 AromaticContact CZ3-CZ3 3.37Å; W157-W171 HydrophobicContact CZ3-CZ3 3.37Å; W157-E176 HydrophobicContact CZ2-CB 4.27Å; W157-A177 HydrophobicContact CZ2-CB 4.32Å; W157-R180 HydrophobicContact CH2-CG 4.31Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	49.8 Å²	49.8	49%	0.485	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.2	166.9	-66.4	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.42Å; I148-T158 WeakPolarHBondContact CG1-O 3.31Å; A149-T158 PolarHBondContact N-O 3.32Å; A149-T158 PolarHBondContact O-N 2.84Å; N151-T158 PolarHBondContact ND2-OG1 3.4Å; N151-T158 WeakPolarHBondContact OD1-CB 3.25Å; N151-T158 PolarHBondContact OD1-OG1 2.88Å
159	A	98.7	Very high	98.3	Very high	22 Å²	22	56.9 Å²	56.9	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132	175.9	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.68Å; A159-Q165 HydrophobicContact CB-CG 4Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.5	Very high	98.3	Very high	59 Å²	59	60.8 Å²	60.8	49%	0.488	31%	0.309	S	S	.	.	S	Bend	trans	-75	-30.7	-176.5	0	0	0	0	0	113.5	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.43Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.42Å
161	D	98.3	Very high	98.2	Very high	53 Å²	53	62.7 Å²	62.7	28%	0.283	32%	0.315	S	S	.	.	S	Bend	trans	-151	-175.9	-178.4	67.9	28.2	0	0	0	113.3	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.88Å; Y109-D161 PolarHBondContact OH-OD2 3.48Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.42Å; D161-A163 WeakPolarHBondContact OD1-CA 3.39Å; D161-A163 WeakPolarHBondContact OD1-CB 3.37Å; D161-A163 PolarHBondContact OD1-N 2.89Å; D161-A164 WeakPolarHBondContact O-CB 3.43Å; D161-A164 PolarHBondContact O-N 3.21Å; D161-A164 PolarHBondContact OD1-N 3.03Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 3.34Å
162	T	98.3	Very high	98.2	Very high	112 Å²	112	65 Å²	65	69%	0.687	33%	0.325	S	S	*	.	H	α-helix	trans	-64.5	-29.1	-179.4	51.5	0	0	0	0	113.9
163	A	98.1	Very high	98.3	Very high	4 Å²	4	62.8 Å²	62.8	3%	0.033	33%	0.329	C	S	.	.	H	α-helix	trans	-74.9	-37.8	176	0	0	0	0	0	110.7	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.13Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.59Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.49Å; Y147-A163 PolarHBondContact OH-O 3.36Å; Y147-A163 VanDerWaalsContact OH-O 3.11Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.42Å; D161-A163 WeakPolarHBondContact OD1-CA 3.39Å; D161-A163 WeakPolarHBondContact OD1-CB 3.37Å; D161-A163 PolarHBondContact OD1-N 2.89Å; A163-Q165 VanDerWaalsContact C-N 3.32Å; A163-Q165 PolarHBondContact O-N 2.97Å; A163-I166 WeakPolarHBondContact O-CB 3.32Å; A163-I166 PolarHBondContact O-N 2.86Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-35.3	171.9	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.64Å; Y147-A164 HydrophobicContact CG-CB 4.33Å; Y147-A164 WeakPolarHBondContact O-CB 3.22Å; A159-A164 HydrophobicContact CB-CB 3.68Å; D161-A164 WeakPolarHBondContact O-CB 3.43Å; D161-A164 PolarHBondContact O-N 3.21Å; D161-A164 PolarHBondContact OD1-N 3.03Å; A164-I166 PolarHBondContact O-N 3.24Å; A164-T167 WeakPolarHBondContact O-CB 3.27Å; A164-T167 PolarHBondContact O-N 3.42Å; A164-Q168 PolarHBondContact O-N 2.59Å
165	Q	98.7	Very high	98.3	Very high	77 Å²	77	68.6 Å²	68.6	36%	0.36	36%	0.356	S	S	.	.	H	α-helix	trans	-60.1	-28.1	174.2	-72.4	174.9	9	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 3.34Å; A163-Q165 VanDerWaalsContact C-N 3.32Å; A163-Q165 PolarHBondContact O-N 2.97Å; Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.41Å; Q165-R169 PolarHBondContact O-N 3.21Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.4	Very high	98.3	Very high	59 Å²	59	63.3 Å²	63.3	30%	0.303	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-44.8	174.1	-58.5	171.2	0	0	0	109.9	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.08Å; Y108-I166 HydrophobicContact CE1-CD1 4.41Å; Y108-I166 HydrophobicContact CE1-CG2 4.02Å; Y108-I166 HydrophobicContact CE2-CB 4.36Å; Y108-I166 HydrophobicContact CE2-CG2 4.18Å; Y108-I166 HydrophobicContact CG-CD1 4.17Å; A163-I166 WeakPolarHBondContact O-CB 3.32Å; A163-I166 PolarHBondContact O-N 2.86Å; A164-I166 PolarHBondContact O-N 3.24Å; I166-K170 WeakPolarHBondContact O-CG 3.39Å; I166-K170 PolarHBondContact O-N 2.97Å
167	T	98.4	Very high	98.4	Very high	15 Å²	15	61.8 Å²	61.8	9%	0.092	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-43.5	177.3	-65.8	0	0	0	0	111.3	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.29Å; Y147-T167 PolarHBondContact OH-OG1 3.14Å; I148-T167 HydrophobicContact CD1-CG2 4.27Å; A164-T167 WeakPolarHBondContact O-CB 3.27Å; A164-T167 PolarHBondContact O-N 3.42Å; T167-R169 PolarHBondContact O-N 3.46Å; T167-K170 WeakPolarHBondContact O-CB 3.47Å; T167-K170 PolarHBondContact O-N 3.01Å; T167-K170 VanDerWaalsContact O-N 3.1Å; T167-W171 HydrophobicContact CG2-CD2 3.73Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.21Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CH2 4.21Å; T167-W171 HydrophobicContact CG2-CZ2 3.76Å; T167-W171 HydrophobicContact CG2-CZ3 4.43Å; T167-W171 PolarHBondContact O-N 3.3Å
168	Q	98.7	Very high	98.3	Very high	40 Å²	40	66.8 Å²	66.8	19%	0.187	35%	0.352	C	S	.	.	H	α-helix	trans	-50.9	-53.6	174.8	177.2	174.5	15.9	0	0	111.7	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.85Å; W157-Q168 HydrophobicContact CB-CG 4.18Å; W157-Q168 PolarHBondContact O-NE2 3.47Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 2.59Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.07Å; Q168-W171 PolarHBondContact O-N 2.91Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.45Å; Q168-E172 PolarHBondContact NE2-OE1 2.89Å; Q168-E172 WeakPolarHBondContact O-CB 3.36Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 2.93Å
169	R	98.7	Very high	98.2	Very high	152 Å²	152	69 Å²	69	57%	0.574	36%	0.357	S	S	*	.	H	α-helix	trans	-60.1	-38.3	-179.9	-68.3	170.5	-165.7	148.2	8.7	112.6	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.41Å; Q165-R169 PolarHBondContact O-N 3.21Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 3.46Å; R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.21Å; R169-A173 PolarHBondContact O-N 2.86Å
170	K	98.3	Very high	98.2	Very high	114 Å²	114	70.6 Å²	70.6	50%	0.496	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-44.9	176.7	-72.9	177.3	176	-174.5	0	111.4	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.94Å; I166-K170 WeakPolarHBondContact O-CG 3.39Å; I166-K170 PolarHBondContact O-N 2.97Å; T167-K170 WeakPolarHBondContact O-CB 3.47Å; T167-K170 PolarHBondContact O-N 3.01Å; T167-K170 VanDerWaalsContact O-N 3.1Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.07Å; K170-A173 PolarHBondContact O-N 2.88Å; K170-A174 WeakPolarHBondContact O-CB 3.46Å; K170-A174 PolarHBondContact O-N 3.11Å
171	W	98.3	Very high	98.2	Very high	53 Å²	53	71.1 Å²	71.1	20%	0.201	35%	0.348	C	S	.	.	H	α-helix	trans	-71.3	-36.2	-178.9	-74	4.4	0	0	0	112.9	Y140 I148 W157 T167 Q168 A174 R175 E176	Y140-W171 AromaticContact CD2-CH2 3.7Å; Y140-W171 HydrophobicContact CD2-CH2 3.7Å; Y140-W171 HydrophobicContact CD2-CZ3 4.2Å; Y140-W171 AromaticContact CE2-CH2 3.4Å; Y140-W171 HydrophobicContact CE2-CH2 3.4Å; Y140-W171 HydrophobicContact CE2-CZ2 4.39Å; Y140-W171 HydrophobicContact CE2-CZ3 4.03Å; Y140-W171 HydrophobicContact CG-CH2 4.48Å; Y140-W171 AromaticContact CZ-CH2 3.97Å; I148-W171 HydrophobicContact CD1-CE3 4.12Å; I148-W171 HydrophobicContact CD1-CZ3 4.3Å; I148-W171 HydrophobicContact CG2-CE3 4.48Å; I148-W171 HydrophobicContact CG2-CH2 3.94Å; I148-W171 HydrophobicContact CG2-CZ3 3.65Å; W157-W171 AromaticContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 3.94Å; W157-W171 HydrophobicContact CD2-CZ3 4.44Å; W157-W171 AromaticContact CE2-CE3 3.78Å; W157-W171 AromaticContact CE3-CE3 3.83Å; W157-W171 HydrophobicContact CE3-CE3 3.83Å; W157-W171 AromaticContact CE3-CZ3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 3.87Å; W157-W171 AromaticContact CH2-CE3 3.49Å; W157-W171 HydrophobicContact CH2-CE3 3.49Å; W157-W171 VanDerWaalsContact CH2-CE3 3.49Å; W157-W171 AromaticContact CH2-CZ3 3.49Å; W157-W171 HydrophobicContact CH2-CZ3 3.49Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.49Å; W157-W171 HydrophobicContact CZ2-CD2 4.49Å; W157-W171 AromaticContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CE3 3.57Å; W157-W171 HydrophobicContact CZ2-CZ3 4.09Å; W157-W171 AromaticContact CZ3-CE3 3.63Å; W157-W171 HydrophobicContact CZ3-CE3 3.63Å; W157-W171 AromaticContact CZ3-CZ3 3.37Å; W157-W171 HydrophobicContact CZ3-CZ3 3.37Å; T167-W171 HydrophobicContact CG2-CD2 3.73Å; T167-W171 VanDerWaalsContact CG2-CE2 3.48Å; T167-W171 HydrophobicContact CG2-CE3 4.21Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CH2 4.21Å; T167-W171 HydrophobicContact CG2-CZ2 3.76Å; T167-W171 HydrophobicContact CG2-CZ3 4.43Å; T167-W171 PolarHBondContact O-N 3.3Å; Q168-W171 PolarHBondContact O-N 2.91Å; Q168-W171 VanDerWaalsContact O-N 3.16Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 2.99Å; W171-R175 WeakPolarHBondContact O-CA 3.47Å; W171-R175 PolarHBondContact O-N 3.39Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CD2-CG 4.46Å; W171-E176 HydrophobicContact CG-CB 4.15Å; W171-E176 HydrophobicContact CG-CG 3.79Å; W171-E176 PolarHBondContact O-N 3.05Å
172	E	98.5	Very high	98.2	Very high	94 Å²	94	71.7 Å²	71.7	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-63.7	-45.6	171.6	-73.5	170.3	174.9	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.23Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.45Å; Q168-E172 PolarHBondContact NE2-OE1 2.89Å; Q168-E172 WeakPolarHBondContact O-CB 3.36Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 2.93Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.29Å; E172-R175 PolarHBondContact O-N 3.11Å; E172-R175 VanDerWaalsContact O-N 3.11Å
173	A	98.4	Very high	98.1	Very high	87 Å²	87	69.1 Å²	69.1	72%	0.719	34%	0.338	S	S	*	.	H	α-helix	trans	-62.7	-35.5	176.2	0	0	0	0	0	112.7	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.21Å; R169-A173 PolarHBondContact O-N 2.86Å; K170-A173 PolarHBondContact O-N 2.88Å; A173-R175 VanDerWaalsContact C-N 3.35Å
174	A	97.9	Very high	98.2	Very high	52 Å²	52	69 Å²	69	43%	0.43	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.3	176.4	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.46Å; K170-A174 PolarHBondContact O-N 3.11Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 2.99Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 3.29Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.05Å; A174-E176 PolarHBondContact O-N 3.5Å
175	R	97.8	Very high	98.1	Very high	156 Å²	156	73.2 Å²	73.2	59%	0.589	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	38.4	-176.1	-55.6	-178.5	175.3	-157.4	3	113.8	W171 E172 A173 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.47Å; W171-R175 PolarHBondContact O-N 3.39Å; E172-R175 PolarHBondContact O-N 3.11Å; E172-R175 VanDerWaalsContact O-N 3.11Å; A173-R175 VanDerWaalsContact C-N 3.35Å; R175-A177 PolarHBondContact O-N 3.45Å; R175-A177 VanDerWaalsContact O-N 3.16Å; R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 IonicContact NH1-OE1 2.86Å; R175-E178 PolarHBondContact NH1-OE1 3.22Å; R175-E178 WeakPolarHBondContact O-CB 3.43Å; R175-E178 PolarHBondContact O-N 3.49Å
176	E	97.5	Very high	98.1	Very high	51 Å²	51	70.6 Å²	70.6	24%	0.238	35%	0.35	C	S	.	.	H	α-helix	trans	-57.6	-33.4	-178.1	-68.1	-68.1	171.9	0	0	112.6	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.27Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CD2-CG 4.46Å; W171-E176 HydrophobicContact CG-CB 4.15Å; W171-E176 HydrophobicContact CG-CG 3.79Å; W171-E176 PolarHBondContact O-N 3.05Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.05Å; A174-E176 PolarHBondContact O-N 3.5Å; E176-E178 PolarHBondContact O-N 3.41Å; E176-Q179 PolarHBondContact O-N 3.04Å; E176-Q179 VanDerWaalsContact O-N 3.12Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 3.35Å
177	A	98.2	Very high	98	Very high	9 Å²	9	70.1 Å²	70.1	7%	0.074	35%	0.349	C	S	.	.	H	α-helix	trans	-58.4	-34.9	177	0	0	0	0	0	112.6	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 3.96Å; R155-A177 WeakPolarHBondContact O-CB 3.45Å; W157-A177 HydrophobicContact CZ2-CB 4.32Å; R175-A177 PolarHBondContact O-N 3.45Å; R175-A177 VanDerWaalsContact O-N 3.16Å; A177-Q179 PolarHBondContact O-N 3.07Å; A177-R180 PolarHBondContact O-N 3.11Å; A177-R181 WeakPolarHBondContact O-CB 3.06Å; A177-R181 PolarHBondContact O-N 3.47Å
178	E	98	Very high	98	Very high	115 Å²	115	69.4 Å²	69.4	54%	0.537	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-40.8	177.8	-64.3	179.1	-179.2	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.23Å; R175-E178 IonicContact NH1-OE1 2.86Å; R175-E178 PolarHBondContact NH1-OE1 3.22Å; R175-E178 WeakPolarHBondContact O-CB 3.43Å; R175-E178 PolarHBondContact O-N 3.49Å; E176-E178 PolarHBondContact O-N 3.41Å; E178-A182 WeakPolarHBondContact O-CB 3.34Å; E178-A182 PolarHBondContact O-N 2.85Å
179	Q	96.7	Very high	98	Very high	124 Å²	124	67.8 Å²	67.8	58%	0.579	34%	0.338	S	S	*	.	H	α-helix	trans	-69.1	-43.8	177.4	-60.2	-174.4	23	0	0	111.6	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.04Å; E176-Q179 VanDerWaalsContact O-N 3.12Å; A177-Q179 PolarHBondContact O-N 3.07Å; Q179-A182 PolarHBondContact O-N 3.08Å; Q179-Y183 PolarHBondContact O-N 3.44Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å
180	R	97.7	Very high	98	Very high	57 Å²	57	66.5 Å²	66.5	22%	0.215	34%	0.338	C	S	.	.	H	α-helix	trans	-62.7	-44.6	176.9	-63.6	-46.7	-171.2	176.8	4.9	111.4	D138 Y140 L150 W157 E176 A177 A182 Y183 L184	D138-R180 WeakPolarHBondContact OD2-CD 3.46Å; D138-R180 VanDerWaalsContact OD2-CG 3.31Å; D138-R180 WeakPolarHBondContact OD2-CG 3.41Å; D138-R180 IonicContact OD2-CZ 3.43Å; D138-R180 IonicContact OD2-NE 3.69Å; D138-R180 PolarHBondContact OD2-NE 2.85Å; D138-R180 VanDerWaalsContact OD2-NE 3.13Å; Y140-R180 PolarHBondContact OH-NH2 3.16Å; L150-R180 HydrophobicContact CD2-CB 4.06Å; W157-R180 HydrophobicContact CH2-CG 4.31Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 3.35Å; A177-R180 PolarHBondContact O-N 3.11Å; R180-A182 PolarHBondContact O-N 3.48Å; R180-Y183 PolarHBondContact O-N 3.12Å; R180-L184 WeakPolarHBondContact O-CB 3.28Å; R180-L184 VanDerWaalsContact O-CG 3.23Å; R180-L184 WeakPolarHBondContact O-CG 3.42Å; R180-L184 PolarHBondContact O-N 2.89Å
181	R	98.2	Very high	98	Very high	70 Å²	70	63.2 Å²	63.2	26%	0.264	32%	0.323	S	S	.	.	H	α-helix	trans	-59.1	-46	175.1	-175.4	172.4	-179.9	-133.2	-13.6	112.3	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; R155-R181 VanDerWaalsContact CZ-NH1 3.3Å; A177-R181 WeakPolarHBondContact O-CB 3.06Å; A177-R181 PolarHBondContact O-N 3.47Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.84Å; R181-L184 PolarHBondContact O-N 2.84Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 4Å; R181-E185 VanDerWaalsContact CZ-OE1 3.25Å; R181-E185 IonicContact CZ-OE2 2.72Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.96Å; R181-E185 PolarHBondContact NE-OE1 3.36Å; R181-E185 IonicContact NE-OE2 3.76Å; R181-E185 PolarHBondContact NE-OE2 3.24Å; R181-E185 IonicContact NH2-OE1 3.67Å; R181-E185 PolarHBondContact NH2-OE1 3.01Å; R181-E185 IonicContact NH2-OE2 2.7Å; R181-E185 PolarHBondContact NH2-OE2 3.47Å; R181-E185 WeakPolarHBondContact O-CB 3.33Å; R181-E185 PolarHBondContact O-N 3.38Å
182	A	98.3	Very high	97.9	Very high	64 Å²	64	60.7 Å²	60.7	53%	0.529	31%	0.314	S	S	.	.	H	α-helix	trans	-60	-40	177.5	0	0	0	0	0	112.5	E178 Q179 R180 G186	E178-A182 WeakPolarHBondContact O-CB 3.34Å; E178-A182 PolarHBondContact O-N 2.85Å; Q179-A182 PolarHBondContact O-N 3.08Å; R180-A182 PolarHBondContact O-N 3.48Å; A182-G186 PolarHBondContact O-N 3.47Å; A182-G186 VanDerWaalsContact O-N 3.11Å
183	Y	97.8	Very high	97.9	Very high	59 Å²	59	62 Å²	62	23%	0.231	32%	0.315	C	S	.	.	I	π-helix	trans	-65.4	-47	173.6	169.5	-100.3	0	0	0	112.2	Q179 R180 R181 T187 C188	Q179-Y183 PolarHBondContact O-N 3.44Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å; R180-Y183 PolarHBondContact O-N 3.12Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 2.84Å; Y183-T187 HydrophobicContact CD2-CG2 3.94Å; Y183-T187 HydrophobicContact CE2-CG2 3.81Å; Y183-T187 PolarHBondContact O-N 2.95Å; Y183-T187 VanDerWaalsContact O-N 3.11Å; Y183-C188 HydrophobicContact CE1-CB 4.09Å; Y183-C188 WeakPolarHBondContact O-CB 3.21Å; Y183-C188 PolarHBondContact O-N 3.21Å
184	L	98.4	Very high	97.8	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	30%	0.303	C	S	.	.	I	π-helix	trans	-70	-39.1	-175	-69.9	171.7	0	0	0	112.9	G124 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.47Å; L150-L184 HydrophobicContact CD2-CD1 3.96Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; R180-L184 WeakPolarHBondContact O-CB 3.28Å; R180-L184 VanDerWaalsContact O-CG 3.23Å; R180-L184 WeakPolarHBondContact O-CG 3.42Å; R180-L184 PolarHBondContact O-N 2.89Å; R181-L184 PolarHBondContact O-N 2.84Å; L184-V189 WeakPolarHBondContact O-CG2 3.31Å
185	E	97.9	Very high	97.8	Very high	88 Å²	88	61.4 Å²	61.4	41%	0.411	28%	0.282	S	S	.	.	I	π-helix	trans	-80.3	-25.3	177.9	-69.1	-178.6	166	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.42Å; L133-E185 HydrophobicContact CD2-CG 3.71Å; L154-E185 HydrophobicContact CD1-CG 4.17Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 4Å; R181-E185 VanDerWaalsContact CZ-OE1 3.25Å; R181-E185 IonicContact CZ-OE2 2.72Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.96Å; R181-E185 PolarHBondContact NE-OE1 3.36Å; R181-E185 IonicContact NE-OE2 3.76Å; R181-E185 PolarHBondContact NE-OE2 3.24Å; R181-E185 IonicContact NH2-OE1 3.67Å; R181-E185 PolarHBondContact NH2-OE1 3.01Å; R181-E185 IonicContact NH2-OE2 2.7Å; R181-E185 PolarHBondContact NH2-OE2 3.47Å; R181-E185 WeakPolarHBondContact O-CB 3.33Å; R181-E185 PolarHBondContact O-N 3.38Å
186	G	97.7	Very high	97.7	Very high	22 Å²	22	54.7 Å²	54.7	23%	0.227	26%	0.258	C	S	.	.	I	π-helix	trans	-107.2	-90	-178.4	0	0	0	0	0	112.4	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.47Å; A182-G186 VanDerWaalsContact O-N 3.11Å; G186-C188 VanDerWaalsContact C-N 3.32Å; G186-C188 PolarHBondContact O-N 2.04Å; G186-V189 PolarHBondContact O-N 3.32Å; G186-V189 VanDerWaalsContact O-N 3.11Å; G186-E190 WeakPolarHBondContact O-CG 3.49Å; G186-E190 PolarHBondContact O-N 2.86Å
187	T	97.6	Very high	97.6	Very high	49 Å²	49	58.2 Å²	58.2	30%	0.301	28%	0.275	S	S	.	.	I	π-helix	trans	-53.7	-44.6	-170.6	-56.2	0	0	0	0	113	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.94Å; Y183-T187 HydrophobicContact CE2-CG2 3.81Å; Y183-T187 PolarHBondContact O-N 2.95Å; Y183-T187 VanDerWaalsContact O-N 3.11Å; T187-V189 PolarHBondContact O-N 2.81Å; T187-E190 PolarHBondContact O-N 2.86Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 WeakPolarHBondContact O-CB 3.49Å; T187-W191 PolarHBondContact O-N 2.89Å
188	C	98.3	Very high	97.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-47.7	-179.8	-170.7	0	0	0	0	111.6	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.04Å; M29-C188 WeakPolarHBondContact CE-SG 3.45Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 2.89Å; C125-C188 WeakPolarHBondContact SG-CB 3.47Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.12Å; Y183-C188 HydrophobicContact CE1-CB 4.09Å; Y183-C188 WeakPolarHBondContact O-CB 3.21Å; Y183-C188 PolarHBondContact O-N 3.21Å; G186-C188 VanDerWaalsContact C-N 3.32Å; G186-C188 PolarHBondContact O-N 2.04Å; C188-W191 PolarHBondContact O-N 3.38Å; C188-L192 WeakPolarHBondContact O-CB 3.15Å; C188-L192 PolarHBondContact O-N 3.02Å
189	V	98.1	Very high	97.4	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-45.6	178.6	176.6	0	0	0	0	111.2	L127 L133 L184 G186 T187 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.44Å; L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.8Å; L127-V189 HydrophobicContact CD2-CG2 3.85Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.09Å; L184-V189 WeakPolarHBondContact O-CG2 3.31Å; G186-V189 PolarHBondContact O-N 3.32Å; G186-V189 VanDerWaalsContact O-N 3.11Å; T187-V189 PolarHBondContact O-N 2.81Å; V189-L192 PolarHBondContact O-N 3.25Å; V189-R193 VanDerWaalsContact CG1-CZ 3.46Å; V189-R193 WeakPolarHBondContact O-CG 2.96Å; V189-R193 PolarHBondContact O-N 3.26Å
190	E	97.9	Very high	97.2	Very high	124 Å²	124	54.2 Å²	54.2	58%	0.579	26%	0.255	S	S	*	.	H	α-helix	trans	-61.3	-46.8	179.8	-71.6	174.2	173.8	0	0	112.1	G186 T187 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.49Å; G186-E190 PolarHBondContact O-N 2.86Å; T187-E190 PolarHBondContact O-N 2.86Å; E190-R193 PolarHBondContact O-N 3.16Å; E190-R194 PolarHBondContact O-N 3.11Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	97.9	Very high	96.9	Very high	46 Å²	46	60 Å²	60	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-68.8	-41	179.3	-81.6	99	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.42Å; Y83-W191 AromaticContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CH2 3.47Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.47Å; Y83-W191 HydrophobicContact CD2-CZ2 4.2Å; Y83-W191 AromaticContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CE2-CE3 4.16Å; Y83-W191 AromaticContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CZ2 4.47Å; Y83-W191 AromaticContact CE2-CZ3 3.64Å; Y83-W191 HydrophobicContact CE2-CZ3 3.64Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 WeakPolarHBondContact O-CB 3.49Å; T187-W191 PolarHBondContact O-N 2.89Å; C188-W191 PolarHBondContact O-N 3.38Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 2.94Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 2.98Å; W191-Y195 HydrophobicContact CB-CE2 4.12Å; W191-Y195 HydrophobicContact CE3-CD1 4.39Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.3Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 WeakPolarHBondContact O-CD2 3.23Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.24Å
192	L	98.1	Very high	96.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-44.5	176.3	174.6	51.1	0	0	0	111.2	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.43Å; M29-L192 HydrophobicContact CB-CB 4.04Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.98Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.63Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CD1-CB 4.25Å; L127-L192 HydrophobicContact CD1-CD2 3.69Å; L127-L192 HydrophobicContact CD1-CG 3.77Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.24Å; C188-L192 WeakPolarHBondContact O-CB 3.15Å; C188-L192 PolarHBondContact O-N 3.02Å; V189-L192 PolarHBondContact O-N 3.25Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.06Å; L192-Y195 PolarHBondContact O-N 3.11Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.5Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 2.99Å
193	R	96.7	Very high	96.2	Very high	122 Å²	122	56.1 Å²	56.1	46%	0.46	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-43.5	174.3	-71.8	176.4	-174.2	157	-0.6	112.4	L127 G131 V189 E190 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.94Å; G131-R193 VanDerWaalsContact O-CZ 3.31Å; G131-R193 PolarHBondContact O-NE 2.77Å; G131-R193 VanDerWaalsContact O-NE 3.1Å; G131-R193 PolarHBondContact O-NH2 2.99Å; V189-R193 VanDerWaalsContact CG1-CZ 3.46Å; V189-R193 WeakPolarHBondContact O-CG 2.96Å; V189-R193 PolarHBondContact O-N 3.26Å; E190-R193 PolarHBondContact O-N 3.16Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 2.94Å; R193-L196 PolarHBondContact O-N 3.33Å; R193-E197 PolarHBondContact O-N 3.43Å
194	R	97	Very high	95.8	Very high	124 Å²	124	57.5 Å²	57.5	47%	0.468	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-44.3	176.5	179.2	179.3	174.4	118.7	-5.3	111.6	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.25Å; E79-R194 IonicContact OE1-NE 2.74Å; E79-R194 PolarHBondContact OE1-NE 3.01Å; E79-R194 IonicContact OE1-NH2 3.66Å; E79-R194 PolarHBondContact OE1-NH2 2.9Å; E79-R194 IonicContact OE2-CZ 3.35Å; E79-R194 IonicContact OE2-NE 3.74Å; E79-R194 IonicContact OE2-NH2 2.77Å; E79-R194 PolarHBondContact OE2-NH2 2.9Å; E190-R194 PolarHBondContact O-N 3.11Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.34Å; W191-R194 PolarHBondContact O-N 2.98Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.06Å; R194-E197 PolarHBondContact O-N 3.44Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 2.94Å; R194-N198 PolarHBondContact O-OD1 2.84Å
195	Y	97.4	Very high	95.4	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-67.5	-38.7	178.6	-62.4	-28.7	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.69Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.38Å; F57-Y195 AromaticContact CE2-CE2 3.7Å; F57-Y195 HydrophobicContact CE2-CE2 3.7Å; F57-Y195 AromaticContact CE2-CZ 3.93Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.71Å; F57-Y195 HydrophobicContact CZ-CE2 3.71Å; W75-Y195 HydrophobicContact CE3-CD1 4.28Å; W75-Y195 HydrophobicContact CE3-CG 4.48Å; W75-Y195 HydrophobicContact CH2-CD2 4.42Å; W75-Y195 HydrophobicContact CH2-CG 4.08Å; W75-Y195 AromaticContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD1 3.6Å; W75-Y195 HydrophobicContact CZ3-CD2 4.24Å; W75-Y195 HydrophobicContact CZ3-CE1 4.32Å; W75-Y195 AromaticContact CZ3-CG 3.56Å; W75-Y195 HydrophobicContact CZ3-CG 3.56Å; V76-Y195 HydrophobicContact CG2-CE1 4.43Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.22Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.45Å; Y83-Y195 PolarHBondContact OH-OH 2.74Å; W191-Y195 HydrophobicContact CB-CE2 4.12Å; W191-Y195 HydrophobicContact CE3-CD1 4.39Å; W191-Y195 AromaticContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE1 3.47Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.47Å; W191-Y195 HydrophobicContact CE3-CE2 4.3Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 WeakPolarHBondContact O-CD2 3.23Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.24Å; L192-Y195 PolarHBondContact O-N 3.11Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.07Å; Y195-N198 PolarHBondContact O-N 2.85Å; Y195-G199 WeakPolarHBondContact O-CA 3.22Å; Y195-G199 PolarHBondContact O-N 2.89Å; Y195-L203 WeakPolarHBondContact O-CD1 3.42Å
196	L	96	Very high	95.1	Very high	15 Å²	15	59.3 Å²	59.3	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-35.5	174.6	-71.3	169.6	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.24Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.5Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 2.99Å; R193-L196 PolarHBondContact O-N 3.33Å; L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 WeakPolarHBondContact O-CB 3.32Å; L196-K200 PolarHBondContact O-N 3.38Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 3.1Å
197	E	95.7	Very high	94.9	Very high	125 Å²	125	61.2 Å²	61.2	58%	0.584	29%	0.285	S	S	*	.	H	α-helix	trans	-71.7	-48.4	174.3	-171.1	60	-151.1	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.43Å; R194-E197 PolarHBondContact O-N 3.44Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.07Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.13Å; E197-K200 WeakPolarHBondContact O-CB 3.47Å; E197-K200 PolarHBondContact O-N 3.44Å
198	N	96.4	Very high	94.8	Very high	50 Å²	50	63.5 Å²	63.5	27%	0.267	29%	0.292	S	S	.	.	H	α-helix	trans	-60.6	-40.3	179.1	-70.8	-4.8	0	0	0	112.7	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.43Å; Q78-N198 PolarHBondContact NE2-ND2 3.16Å; Q78-N198 PolarHBondContact NE2-OD1 3.3Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.17Å; E79-N198 PolarHBondContact OE1-ND2 2.89Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 2.94Å; R194-N198 PolarHBondContact O-OD1 2.84Å; Y195-N198 PolarHBondContact O-N 2.85Å
199	G	95.3	Very high	94.8	Very high	3 Å²	3	63.9 Å²	63.9	3%	0.031	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	18.2	-175.3	0	0	0	0	0	113.7	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.22Å; Y195-G199 PolarHBondContact O-N 2.89Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.13Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.83Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.19Å; G199-T202 PolarHBondContact O-N 3.09Å; G199-T202 PolarHBondContact O-OG1 2.77Å; G199-L203 WeakPolarHBondContact O-CB 3.34Å; G199-L203 PolarHBondContact O-N 2.62Å
200	K	93.3	Very high	94.8	Very high	111 Å²	111	71 Å²	71	48%	0.483	33%	0.325	S	S	.	.	H	α-helix	trans	-48.7	-45.5	-171.1	-177.5	172.8	-175.5	173.8	0	113.9	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 WeakPolarHBondContact O-CB 3.32Å; L196-K200 PolarHBondContact O-N 3.38Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.47Å; E197-K200 PolarHBondContact O-N 3.44Å; K200-T202 PolarHBondContact O-N 2.98Å; K200-Q204 WeakPolarHBondContact O-CB 3.38Å; K200-Q204 PolarHBondContact O-N 3.31Å; K200-Q204 VanDerWaalsContact O-N 3.12Å
201	E	90.7	Very high	94.8	Very high	180 Å²	180	66.8 Å²	66.8	84%	0.841	31%	0.308	S	S	*	.	H	α-helix	trans	-63.3	-26.9	180	-62.7	-175.4	166.3	0	0	113.3	G199 R205	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.83Å; G199-E201 VanDerWaalsContact O-N 3.16Å; E201-R205 WeakPolarHBondContact O-CD 3.43Å
202	T	90.1	Very high	94.7	Very high	46 Å²	46	68.3 Å²	68.3	28%	0.282	32%	0.317	S	S	.	.	H	α-helix	trans	-103.5	-33	-176.6	53.2	0	0	0	0	114.4	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.25Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 WeakPolarHBondContact O-CA 3.19Å; G199-T202 PolarHBondContact O-N 3.09Å; G199-T202 PolarHBondContact O-OG1 2.77Å; K200-T202 PolarHBondContact O-N 2.98Å; T202-R205 WeakPolarHBondContact O-CG 3.41Å; T202-R205 PolarHBondContact O-NE 3.37Å; T202-R205 VanDerWaalsContact O-NE 3.11Å
203	L	91.5	Very high	94.7	Very high	5 Å²	5	69.4 Å²	69.4	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-96.2	-27.2	-172.8	-64	173.3	0	0	0	112.5	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.15Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; T55-L203 HydrophobicContact CG2-CD2 4.15Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.43Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.17Å; W75-L203 HydrophobicContact CZ2-CG 4.45Å; Y195-L203 WeakPolarHBondContact O-CD1 3.42Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 WeakPolarHBondContact O-CB 3.34Å; G199-L203 PolarHBondContact O-N 2.62Å
204	Q	89.2	Confident	94.7	Very high	88 Å²	88	65.2 Å²	65.2	41%	0.411	31%	0.311	S	S	.	.	S	Bend	trans	-104.6	19.4	177.8	-57.6	178.2	30.6	0	0	111.7	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.1Å; K200-Q204 WeakPolarHBondContact O-CB 3.38Å; K200-Q204 PolarHBondContact O-N 3.31Å; K200-Q204 VanDerWaalsContact O-N 3.12Å
205	R	90.3	Very high	94.7	Very high	87 Å²	87	61.9 Å²	61.9	33%	0.328	30%	0.301	S	S	.	.			trans	-91.7	147.1	170.8	74	-172.6	170.5	155.6	11.4	109.3	E201 T202 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.43Å; T202-R205 WeakPolarHBondContact O-CG 3.41Å; T202-R205 PolarHBondContact O-NE 3.37Å; T202-R205 VanDerWaalsContact O-NE 3.11Å; R205-E207 IonicContact CZ-OE1 3.7Å; R205-E207 IonicContact NE-OE1 3.57Å; R205-E207 IonicContact NH1-OE1 3.1Å; R205-E207 PolarHBondContact NH1-OE1 2.88Å; R205-E207 IonicContact NH2-OE1 3.32Å; R205-Y233 HydrophobicContact CG-CD1 4.19Å; R205-Y233 HydrophobicContact CG-CE1 4.49Å; R205-Y233 WeakPolarHBondContact O-CD1 3.44Å
206	A	92.2	Very high	94.5	Very high	40 Å²	40	65.6 Å²	65.6	33%	0.331	32%	0.318	S	S	.	.			trans	-118.5	121	164.6	0	0	0	0	0	108.4	Y233 E288	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.46Å; A206-E288 HydrophobicContact CB-CB 4.49Å; A206-E288 HydrophobicContact CB-CG 4.5Å
207	E	94.1	Very high	94.4	Very high	62 Å²	62	69.5 Å²	69.5	29%	0.29	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-98.8	119.3	173.9	-66.8	-171.3	-154.6	0	0	108.5	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 3.7Å; R205-E207 IonicContact NE-OE1 3.57Å; R205-E207 IonicContact NH1-OE1 3.1Å; R205-E207 PolarHBondContact NH1-OE1 2.88Å; R205-E207 IonicContact NH2-OE1 3.32Å; E207-F232 WeakPolarHBondContact O-CA 3.45Å; E207-F232 WeakPolarHBondContact O-CB 3.42Å; E207-Y233 PolarHBondContact N-O 3.38Å; E207-Y233 PolarHBondContact O-N 2.87Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.49Å; E207-H287 PolarHBondContact O-CE1 2.79Å; E207-H287 VanDerWaalsContact O-CE1 3.22Å
208	H	95.3	Very high	94.2	Very high	98 Å²	98	67.8 Å²	67.8	45%	0.454	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-68.9	145.5	-178	-52.9	-107.3	0	0	0	111.8	K210 G289 L290	H208-K210 PolarHBondContact O-N 3.23Å; H208-G289 PolarHBondContact CE1-O 2.89Å; H208-G289 PolarHBondContact ND1-O 3.38Å; H208-L290 HydrophobicContact CB-CD2 4.12Å; H208-L290 WeakPolarHBondContact ND1-CA 3.36Å; H208-L290 PolarHBondContact ND1-N 2.87Å
209	P	97.6	Very high	94	Very high	8 Å²	8	67.9 Å²	67.9	5%	0.052	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-67.8	130.3	176	28.5	-34.8	0	0	0	111.6	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.92Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 2.86Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.02Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	97.9	Very high	93.6	Very high	156 Å²	156	74.8 Å²	74.8	68%	0.678	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	111.9	163.2	-65.2	171.5	-173.2	165.1	0	107.8	H208 L230	H208-K210 PolarHBondContact O-N 3.23Å; K210-L230 PolarHBondContact N-O 2.68Å; K210-L230 PolarHBondContact O-N 2.79Å
211	T	97.9	Very high	93.6	Very high	35 Å²	35	76.4 Å²	76.4	22%	0.215	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.7	-172.1	56.3	0	0	0	0	112.5	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.92Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 2.86Å; T211-W228 WeakPolarHBondContact CA-O 3.33Å; T211-W228 WeakPolarHBondContact CB-O 3.25Å; T211-A229 HydrophobicContact CG2-CB 4.27Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.14Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; T211-L294 HydrophobicContact CG2-CD1 4.38Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å
212	H	97.1	Very high	93.7	Very high	79 Å²	79	71.9 Å²	71.9	37%	0.366	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	158.7	172.1	62.1	-75.8	0	0	0	110.3	W228	H212-W228 VanDerWaalsContact CE1-CB 3.45Å; H212-W228 WeakPolarHBondContact CE1-CB 3.39Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 3.11Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.4Å
213	V	98	Very high	94	Very high	22 Å²	22	69.8 Å²	69.8	13%	0.133	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.7	176.2	-179.2	0	0	0	0	109.2	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.38Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; V213-R226 WeakPolarHBondContact CA-O 3.37Å; V213-C227 HydrophobicContact CG2-CB 4.43Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; V213-L296 HydrophobicContact CG2-CB 3.85Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.81Å
214	T	96.5	Very high	94.2	Very high	34 Å²	34	70.7 Å²	70.7	21%	0.209	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.6	176.8	52.9	0	0	0	0	110	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.85Å; T214-H216 VanDerWaalsContact OG1-CE1 3.29Å; T214-L225 WeakPolarHBondContact O-CA 3.49Å; T214-R226 PolarHBondContact N-O 2.87Å; T214-R226 PolarHBondContact O-N 3.24Å; T214-R226 WeakPolarHBondContact OG1-CB 3.48Å; T214-R226 PolarHBondContact OG1-O 3.28Å; T214-R226 VanDerWaalsContact OG1-O 3.07Å; T214-W228 PolarHBondContact OG1-NE1 3.19Å; T214-W228 VanDerWaalsContact OG1-NE1 3.15Å
215	H	95.5	Very high	94.6	Very high	54 Å²	54	66.5 Å²	66.5	25%	0.25	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.1	-178.7	169.5	-93.6	0	0	0	109.9	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.5Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.39Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 VanDerWaalsContact CB-CE2 3.5Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 3.98Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.77Å; H215-W298 AromaticContact ND1-CZ2 3.92Å
216	H	94	Very high	95	Very high	79 Å²	79	64.9 Å²	64.9	37%	0.366	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	104.3	-178.6	-57.8	81.2	0	0	0	109	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 2.85Å; T214-H216 VanDerWaalsContact OG1-CE1 3.29Å; H216-V218 PolarHBondContact O-N 2.88Å; H216-A223 CarbonylContact O-C 3.53Å; H216-A223 WeakPolarHBondContact O-CA 3.45Å; H216-T224 PolarHBondContact N-O 3.09Å; H216-T224 PolarHBondContact O-N 2.98Å; H216-R226 PolarHBondContact CE1-NH1 2.91Å
217	P	93.4	Very high	95.3	Very high	97 Å²	97	63 Å²	63	63%	0.63	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	131.1	173	-19	29.4	0	0	0	110.5
218	V	91.5	Very high	95.5	Very high	90 Å²	90	62.4 Å²	62.4	55%	0.545	32%	0.317	S	S	.	.			trans	-104.1	-42	175.4	-179.1	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.88Å; V218-E222 PolarHBondContact N-O 3.11Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.37Å
219	S	91.9	Very high	95.6	Very high	52 Å²	52	57.7 Å²	57.7	36%	0.364	30%	0.296	S	S	.	.	S	Bend	trans	-146	-178.2	174.3	73.9	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 2.82Å; S219-H221 PolarHBondContact OG-N 3.19Å; S219-E222 PolarHBondContact N-O 3.47Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.32Å
220	D	88.8	Confident	95.7	Very high	147 Å²	147	59.9 Å²	59.9	79%	0.786	31%	0.307	S	S	*	.	S	Bend	trans	-64	-20.3	173	-66.2	-23.2	0	0	0	112.6	S275	D220-S275 WeakPolarHBondContact O-CB 3.02Å; D220-S275 PolarHBondContact O-OG 2.79Å
221	H	91.9	Very high	95.6	Very high	146 Å²	146	53.3 Å²	53.3	68%	0.676	28%	0.283	S	S	*	.	S	Bend	trans	-107.7	-14.1	-174.9	-56.8	-49	0	0	0	113.9	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.82Å; S219-H221 PolarHBondContact OG-N 3.19Å; H221-P274 WeakPolarHBondContact O-CA 3.22Å; H221-S275 PolarHBondContact O-N 3.18Å; H221-S275 PolarHBondContact O-OG 3.23Å
222	E	94.1	Very high	95.6	Very high	85 Å²	85	51.7 Å²	51.7	40%	0.397	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	141.7	-171.9	-66.8	176.1	165.9	0	0	112	V218 S219 M272 V273 S275	V218-E222 PolarHBondContact N-O 3.11Å; S219-E222 PolarHBondContact N-O 3.47Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.32Å; E222-M272 HydrophobicContact CB-CG 4.46Å; E222-V273 WeakPolarHBondContact CA-O 3.26Å; E222-S275 PolarHBondContact N-OG 3.47Å
223	A	95.1	Very high	95.5	Very high	1 Å²	1	48 Å²	48	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	160.4	170.9	0	0	0	0	0	110.8	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.5Å; H216-A223 CarbonylContact O-C 3.53Å; H216-A223 WeakPolarHBondContact O-CA 3.45Å; A223-V273 HydrophobicContact CB-CG2 4.29Å; A223-V273 PolarHBondContact N-O 2.74Å; A223-V273 PolarHBondContact O-N 3.03Å
224	T	96.8	Very high	95.4	Very high	25 Å²	25	47.9 Å²	47.9	15%	0.153	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.9	170.4	-56.1	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.09Å; H216-T224 PolarHBondContact O-N 2.98Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.37Å; T224-A270 HydrophobicContact CG2-CB 3.95Å; T224-V271 WeakPolarHBondContact CA-O 3.42Å
225	L	97.6	Very high	95.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127	166.2	-63.8	-176.1	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 Y281 W298	V213-L225 HydrophobicContact CG1-CB 4.38Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; T214-L225 WeakPolarHBondContact O-CA 3.49Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.25Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.48Å; L225-V271 HydrophobicContact CB-CG1 4.23Å; L225-V271 PolarHBondContact N-O 3.28Å; L225-V271 PolarHBondContact O-N 3.29Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.15Å; L225-V273 HydrophobicContact CG-CG1 4.13Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; L225-Y281 HydrophobicContact CD1-CG 4.5Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.96Å
226	R	98	Very high	95.3	Very high	53 Å²	53	50.8 Å²	50.8	20%	0.2	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.9	176	-178.8	-177.2	-62.1	118.1	3.4	110.2	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.37Å; T214-R226 PolarHBondContact N-O 2.87Å; T214-R226 PolarHBondContact O-N 3.24Å; T214-R226 WeakPolarHBondContact OG1-CB 3.48Å; T214-R226 PolarHBondContact OG1-O 3.28Å; T214-R226 VanDerWaalsContact OG1-O 3.07Å; H216-R226 PolarHBondContact CE1-NH1 2.91Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.42Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.3	Very high	95.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.8	175.2	-174.8	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.43Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.42Å; C227-W268 WeakPolarHBondContact O-CA 3.39Å; C227-W268 WeakPolarHBondContact O-CB 3.23Å; C227-A269 PolarHBondContact N-O 3.42Å; C227-A269 PolarHBondContact O-N 3.33Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.13Å; C227-C283 WeakPolarHBondContact SG-CB 3.46Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.88Å
228	W	98.4	Very high	95.6	Very high	49 Å²	49	45.6 Å²	45.6	19%	0.186	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.5	-180	-69	88.7	0	0	0	110.7	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.33Å; T211-W228 WeakPolarHBondContact CB-O 3.25Å; H212-W228 VanDerWaalsContact CE1-CB 3.45Å; H212-W228 WeakPolarHBondContact CE1-CB 3.39Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 3.11Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.4Å; T214-W228 PolarHBondContact OG1-NE1 3.19Å; T214-W228 VanDerWaalsContact OG1-NE1 3.15Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.69Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å
229	A	98.4	Very high	95.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.5	162.4	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 4.27Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.18Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.49Å; A229-K267 PolarHBondContact N-O 3.42Å; A229-K267 PolarHBondContact O-N 3.38Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.2	Very high	96.1	Very high	54 Å²	54	40.9 Å²	40.9	28%	0.283	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.2	-174.7	-57.9	177	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.68Å; K210-L230 PolarHBondContact O-N 2.79Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; L230-F232 PolarHBondContact O-N 3.17Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å
231	G	97.3	Very high	96.6	Very high	18 Å²	18	34 Å²	34	19%	0.186	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.4	34.8	168.4	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.49Å; G231-F265 PolarHBondContact N-O 3.11Å
232	F	97.1	Very high	96.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	155.7	179.3	59.2	-90.3	0	0	0	112.4	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.45Å; E207-F232 WeakPolarHBondContact O-CB 3.42Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.05Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.18Å; L230-F232 PolarHBondContact O-N 3.17Å; F232-P234 WeakPolarHBondContact CD2-O 3.38Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.99Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.42Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.94Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; F232-T257 HydrophobicContact CE2-CG2 4.04Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; F232-T264 WeakPolarHBondContact O-CA 3.33Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.35Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.38Å; F232-F265 PolarHBondContact O-N 3.44Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	95.4	Very high	96.9	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.012	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-152	135.4	173.5	178.3	-84.4	0	0	0	108.8	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.08Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.17Å; T55-Y233 PolarHBondContact OG1-OH 3Å; R205-Y233 HydrophobicContact CG-CD1 4.19Å; R205-Y233 HydrophobicContact CG-CE1 4.49Å; R205-Y233 WeakPolarHBondContact O-CD1 3.44Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 WeakPolarHBondContact CA-O 3.46Å; E207-Y233 PolarHBondContact N-O 3.38Å; E207-Y233 PolarHBondContact O-N 2.87Å; Y233-G263 WeakPolarHBondContact CD2-O 3.46Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CE2-CE2 4.44Å; Y233-H287 PolarHBondContact O-CE1 3.17Å
234	P	94.8	Very high	96.8	Very high	18 Å²	18	33.8 Å²	33.8	12%	0.117	17%	0.172	C	C	.	.	S	Bend	cis	-73.2	179.4	4	30.9	-36.7	0	0	0	113.3	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; F232-P234 WeakPolarHBondContact CD2-O 3.38Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.83Å; P234-H287 PolarHBondContact O-NE2 3.2Å
235	A	96	Very high	96.4	Very high	14 Å²	14	34.9 Å²	34.9	12%	0.116	19%	0.188	C	C	.	.	S	Bend	trans	-70.5	-24.7	-175.1	0	0	0	0	0	113.9	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 VanDerWaalsContact OD2-CB 3.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.38Å; D54-A235 PolarHBondContact OD2-N 2.85Å; A235-I237 PolarHBondContact O-N 2.89Å; A235-T257 HydrophobicContact CB-CG2 4.31Å; A235-T257 WeakPolarHBondContact O-CG2 3.46Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.3	Very high	96.2	Very high	135 Å²	135	41.1 Å²	41.1	63%	0.631	22%	0.218	S	C	*	.			trans	-65.2	116.9	179.3	-169.9	59.7	-144.2	0	0	110.1	P234 H287	P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.83Å; E236-H287 PolarHBondContact O-CD2 2.94Å
237	I	96	Very high	96	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.051	23%	0.233	C	C	.	.			trans	-152.4	141.8	-178.9	-165	171	0	0	0	109.3	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.99Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.42Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.94Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.55Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; A235-I237 PolarHBondContact O-N 2.89Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.15Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.47Å; I237-H287 HydrophobicContact CD1-CB 4.27Å; I237-H287 HydrophobicContact CG1-CB 4.07Å
238	T	96.9	Very high	95.7	Very high	58 Å²	58	44.6 Å²	44.6	36%	0.356	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.6	174.4	-62.3	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T238-V285 WeakPolarHBondContact O-CA 3.38Å; T238-Q286 PolarHBondContact N-O 2.8Å; T238-Q286 PolarHBondContact O-N 2.73Å
239	L	97.6	Very high	95.2	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.4	172.9	-87.2	61.5	0	0	0	108.4	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.15Å; L239-L254 HydrophobicContact CB-CD1 4.13Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.03Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; L239-H284 WeakPolarHBondContact CA-O 3.28Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CD1-CG2 4.48Å; L239-V285 HydrophobicContact CG-CG2 4.29Å
240	T	97.2	Very high	94.6	Very high	37 Å²	37	56.5 Å²	56.5	23%	0.227	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142	179	47.6	0	0	0	0	110.7	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.4Å; T240-H284 PolarHBondContact N-O 3.46Å; T240-H284 PolarHBondContact O-N 3.26Å; T240-H284 WeakPolarHBondContact OG1-CB 3.26Å
241	W	97.8	Very high	94	Very high	3 Å²	3	59.3 Å²	59.3	1%	0.011	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138	169.6	-82.6	107.4	0	0	0	109.7	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.33Å; V213-W241 HydrophobicContact CG2-CH2 4.27Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.25Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.25Å; W241-Q248 PolarHBondContact O-N 3.06Å; W241-A269 PolarHBondContact NE1-O 2.82Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.49Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.14Å; W241-V271 HydrophobicContact CG-CG1 3.75Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; W241-T282 WeakPolarHBondContact CA-O 3.42Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.12Å; W241-C283 HydrophobicContact CE3-CB 4.01Å; W241-C283 HydrophobicContact CH2-CB 3.94Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.92Å
242	Q	97.2	Very high	93.8	Very high	40 Å²	40	59.5 Å²	59.5	19%	0.187	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.6	173.2	-69	-173.5	-8.9	0	0	110.5	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.29Å; Q242-D247 VanDerWaalsContact CG-OD1 3.24Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.24Å; Q242-D247 PolarHBondContact NE2-OD1 2.81Å; Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.39Å; Q242-T282 PolarHBondContact N-O 3.36Å; Q242-T282 PolarHBondContact O-N 2.93Å; Q242-H284 PolarHBondContact OE1-NE2 3.49Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.08Å
243	W	95.1	Very high	93.8	Very high	80 Å²	80	65 Å²	65	30%	0.303	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.6	170.6	178.7	58.5	0	0	0	108.5	G245 E246 Q248 R280 Y281	W243-G245 PolarHBondContact O-N 3.32Å; W243-E246 PolarHBondContact N-O 2.83Å; W243-E246 PolarHBondContact O-N 3.11Å; W243-Q248 HydrophobicContact CB-CG 3.93Å; W243-R280 VanDerWaalsContact CE2-CZ 3.42Å; W243-R280 VanDerWaalsContact CE2-NH2 3.31Å; W243-R280 VanDerWaalsContact CZ2-CZ 3.42Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.28Å; W243-Y281 HydrophobicContact CB-CD1 4.29Å; W243-Y281 HydrophobicContact CB-CE1 4.05Å; W243-Y281 AromaticContact CD1-CE2 3.72Å; W243-Y281 AromaticContact CD1-CZ 3.77Å; W243-Y281 HydrophobicContact CG-CE1 4.29Å
244	D	92.6	Very high	93.8	Very high	106 Å²	106	69 Å²	69	57%	0.567	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	30.9	-172.6	-68.8	-20.2	0	0	0	114.5	R280	D244-R280 PolarHBondContact N-O 2.84Å; D244-R280 IonicContact OD1-NE 2.71Å; D244-R280 IonicContact OD2-CZ 2.79Å; D244-R280 IonicContact OD2-NE 2.73Å; D244-R280 PolarHBondContact OD2-NE 2.91Å; D244-R280 IonicContact OD2-NH2 3.63Å; D244-R280 PolarHBondContact OD2-NH2 2.83Å
245	G	89.3	Confident	93.9	Very high	48 Å²	48	69.7 Å²	69.7	50%	0.495	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-0.7	-179.5	0	0	0	0	0	115.5	W243	W243-G245 PolarHBondContact O-N 3.32Å
246	E	93.3	Very high	93.9	Very high	132 Å²	132	77.1 Å²	77.1	62%	0.617	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.2	176	-63.2	-170.2	168.8	0	0	112	Q242 W243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.29Å; W243-E246 PolarHBondContact N-O 2.83Å; W243-E246 PolarHBondContact O-N 3.11Å; E246-Q248 PolarHBondContact O-NE2 2.86Å
247	D	93.4	Very high	94	Very high	97 Å²	97	72.8 Å²	72.8	52%	0.519	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131.7	-178.5	-69.5	-20.8	0	0	0	112.6	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.24Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.24Å; Q242-D247 PolarHBondContact NE2-OD1 2.81Å
248	Q	93.1	Very high	94.1	Very high	28 Å²	28	76.8 Å²	76.8	13%	0.131	40%	0.398	C	S	.	.			trans	-103.2	40.5	-177.2	-59.4	-59.4	-60.2	0	0	112.4	W241 W243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.25Å; W241-Q248 PolarHBondContact O-N 3.06Å; W243-Q248 HydrophobicContact CB-CG 3.93Å; E246-Q248 PolarHBondContact O-NE2 2.86Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.08Å; Q248-D251 PolarHBondContact O-N 3.21Å; Q248-T252 WeakPolarHBondContact O-CB 3.41Å; Q248-T252 PolarHBondContact O-N 2.88Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 3.21Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å
249	T	86.8	Confident	94.1	Very high	109 Å²	109	78.5 Å²	78.5	67%	0.669	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.4	-169.8	-46.3	0	0	0	0	114
250	Q	86.2	Confident	94	Very high	191 Å²	191	80.6 Å²	80.6	89%	0.893	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-33	-177.7	-67.1	-174.4	8.6	0	0	112.9	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.08Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251	D	85.4	Confident	93.8	Very high	112 Å²	112	82.5 Å²	82.5	60%	0.599	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	1.5	-177.8	-56.8	-54.5	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 3.21Å
252	T	93.6	Very high	93.6	Very high	23 Å²	23	87.8 Å²	87.8	14%	0.141	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.2	179.2	-64.4	0	0	0	0	111.1	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.41Å; Q248-T252 PolarHBondContact O-N 2.88Å; Q248-T252 VanDerWaalsContact O-N 3.14Å; Q248-T252 PolarHBondContact O-OG1 3.21Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.41Å; T252-L254 PolarHBondContact O-N 2.99Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; T252-A270 CarbonylContact C-O 3.58Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.44Å
253	E	96.3	Very high	93.3	Very high	114 Å²	114	87.9 Å²	87.9	53%	0.533	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	105.6	163	-173.8	-173.8	-173.6	0	0	109.1	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.39Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.41Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.81Å; E253-A270 PolarHBondContact O-N 2.63Å
254	L	96.4	Very high	93.3	Very high	87 Å²	87	84.4 Å²	84.4	46%	0.455	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.5	177.7	-173.4	68.7	0	0	0	110.1	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.13Å; T252-L254 HydrophobicContact CG2-CB 4.41Å; T252-L254 PolarHBondContact O-N 2.99Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	96.3	Very high	93.6	Very high	33 Å²	33	80.6 Å²	80.6	20%	0.2	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-83.3	152.8	174.2	-65.4	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.22Å; V255-K267 WeakPolarHBondContact O-CG 3.37Å; V255-K267 PolarHBondContact O-NZ 3.19Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.41Å; V255-W268 PolarHBondContact N-O 3.45Å
256	E	96.5	Very high	94	Very high	171 Å²	171	80.4 Å²	80.4	80%	0.799	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-57.8	148.4	167.5	-67.6	-174.9	172.2	0	0	111.3	R258	E256-R258 PolarHBondContact O-N 3.07Å
257	T	97.8	Very high	94.2	Very high	44 Å²	44	75.1 Å²	75.1	27%	0.27	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-67.9	130	174.3	-56.1	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.04Å; F232-T257 HydrophobicContact CZ-CG2 3.88Å; A235-T257 HydrophobicContact CB-CG2 4.31Å; A235-T257 WeakPolarHBondContact O-CG2 3.46Å; T257-F265 HydrophobicContact CG2-CB 3.76Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.5Å; T257-K267 PolarHBondContact OG1-NZ 3.3Å
258	R	97.2	Very high	94.5	Very high	94 Å²	94	71.7 Å²	71.7	36%	0.355	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.1	-174.9	68.7	-168.1	-178.5	-160.8	0.2	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.07Å; R258-F265 WeakPolarHBondContact O-CA 3.29Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.16Å; R258-Q266 WeakPolarHBondContact O-CG 3.44Å; R258-Q266 PolarHBondContact O-N 2.84Å
259	P	97.1	Very high	94.7	Very high	94 Å²	94	70.3 Å²	70.3	61%	0.61	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	143.9	178	28.5	-34.4	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.29Å
260	A	96.4	Very high	95.2	Very high	49 Å²	49	65.2 Å²	65.2	41%	0.405	37%	0.365	S	S	.	.			trans	-87.4	-17.9	173.3	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.41Å; A260-T264 PolarHBondContact N-O 3.48Å
261	G	92.8	Very high	95.7	Very high	78 Å²	78	56.3 Å²	56.3	80%	0.804	32%	0.324	S	S	*	.	S	Bend	trans	97.1	-8.7	178.7	0	0	0	0	0	114.8
262	D	92.3	Very high	96.3	Very high	114 Å²	114	55.9 Å²	55.9	61%	0.61	32%	0.319	S	S	*	.	S	Bend	trans	-102.4	10.8	175.7	60.5	1.8	0	0	0	113.1	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.41Å; D262-T264 WeakPolarHBondContact OD1-CB 3.19Å; D262-T264 PolarHBondContact OD1-N 3.49Å; D262-T264 PolarHBondContact OD1-OG1 2.92Å
263	G	91	Very high	96.4	Very high	42 Å²	42	54.8 Å²	54.8	43%	0.433	31%	0.313	S	S	.	.	S	Bend	trans	90.8	-2.1	-174.1	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.46Å
264	T	96.1	Very high	96.3	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.043	30%	0.303	C	S	.	.			trans	-104.1	174	174	73.9	0	0	0	0	112.4	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.49Å; G231-T264 WeakPolarHBondContact CA-OG1 3.49Å; F232-T264 WeakPolarHBondContact O-CA 3.33Å; A260-T264 PolarHBondContact N-O 3.48Å; D262-T264 WeakPolarHBondContact OD1-CB 3.19Å; D262-T264 PolarHBondContact OD1-N 3.49Å; D262-T264 PolarHBondContact OD1-OG1 2.92Å
265	F	97.9	Very high	96	Very high	25 Å²	25	50.3 Å²	50.3	11%	0.11	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	162.7	-177.6	-63.9	-85.7	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.69Å; G231-F265 PolarHBondContact N-O 3.11Å; F232-F265 WeakPolarHBondContact CD1-O 3.47Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.35Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 3.38Å; F232-F265 PolarHBondContact O-N 3.44Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CD2-CE2 3.96Å; Y233-F265 HydrophobicContact CE2-CE2 4.44Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.76Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.29Å; P259-F265 HydrophobicContact CB-CE1 4.29Å
266	Q	98.1	Very high	95.7	Very high	45 Å²	45	51.8 Å²	51.8	21%	0.21	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.5	173.9	42.7	166.2	-20.8	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.49Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å; R258-Q266 HydrophobicContact CG-CG 3.59Å; R258-Q266 PolarHBondContact N-O 3.16Å; R258-Q266 WeakPolarHBondContact O-CG 3.44Å; R258-Q266 PolarHBondContact O-N 2.84Å
267	K	98.5	Very high	95.6	Very high	21 Å²	21	46.7 Å²	46.7	9%	0.091	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.8	177.2	-162.8	-175.7	-172.3	69.6	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.42Å; A229-K267 PolarHBondContact O-N 3.38Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.38Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.22Å; V255-K267 WeakPolarHBondContact O-CG 3.37Å; V255-K267 PolarHBondContact O-NZ 3.19Å; T257-K267 WeakPolarHBondContact OG1-CD 3.5Å; T257-K267 PolarHBondContact OG1-NZ 3.3Å
268	W	98.2	Very high	95.4	Very high	24 Å²	24	45.5 Å²	45.5	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.1	169.1	59	-98.3	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.42Å; C227-W268 WeakPolarHBondContact O-CA 3.39Å; C227-W268 WeakPolarHBondContact O-CB 3.23Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.69Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å; E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.39Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.09Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.41Å; V255-W268 PolarHBondContact N-O 3.45Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
269	A	98.1	Very high	95.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.6	174	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.42Å; C227-A269 PolarHBondContact N-O 3.42Å; C227-A269 PolarHBondContact O-N 3.33Å; L239-A269 HydrophobicContact CB-CB 4.03Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; W241-A269 PolarHBondContact NE1-O 2.82Å; T252-A269 HydrophobicContact CG2-CB 3.9Å; E253-A269 CarbonylContact O-C 3.56Å; E253-A269 WeakPolarHBondContact O-CA 3.41Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	97.6	Very high	95.2	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.017	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.3	179.3	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.95Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.48Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.58Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.44Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.81Å; E253-A270 PolarHBondContact O-N 2.63Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.61Å
271	V	97.3	Very high	95.2	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.1	176.5	63.2	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.42Å; L225-V271 HydrophobicContact CB-CG1 4.23Å; L225-V271 PolarHBondContact N-O 3.28Å; L225-V271 PolarHBondContact O-N 3.29Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CB 4.49Å; W241-V271 HydrophobicContact CD2-CG1 3.61Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.14Å; W241-V271 HydrophobicContact CG-CG1 3.75Å; W241-V271 HydrophobicContact CZ2-CG1 4.31Å; V271-V273 HydrophobicContact CG1-CG1 3.81Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V271-Y281 HydrophobicContact CG1-CD1 4.04Å; V271-Y281 HydrophobicContact CG1-CE1 4.43Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.06Å
272	M	96.2	Very high	95.4	Very high	103 Å²	103	40.2 Å²	40.2	51%	0.507	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.1	172.2	-170.2	173.9	-68.3	0	0	108.7	E222	E222-M272 HydrophobicContact CB-CG 4.46Å
273	V	95.5	Very high	95.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.9	-173.7	-53.6	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.26Å; A223-V273 HydrophobicContact CB-CG2 4.29Å; A223-V273 PolarHBondContact N-O 2.74Å; A223-V273 PolarHBondContact O-N 3.03Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.15Å; L225-V273 HydrophobicContact CG-CG1 4.13Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.81Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.82Å; V273-Y281 HydrophobicContact CG1-CD2 3.58Å; V273-Y281 HydrophobicContact CG1-CE1 3.74Å; V273-Y281 HydrophobicContact CG1-CE2 3.5Å; V273-Y281 HydrophobicContact CG1-CG 3.74Å
274	P	94.9	Very high	96	Very high	52 Å²	52	34.3 Å²	34.3	34%	0.338	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	139.1	169.4	-19.3	31.9	0	0	0	111.3	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.22Å; P274-G276 PolarHBondContact O-N 2.73Å; P274-E277 HydrophobicContact CB-CB 4.35Å; P274-E277 HydrophobicContact CB-CG 4.19Å; P274-E277 PolarHBondContact O-N 2.86Å; P274-E277 VanDerWaalsContact O-N 3.07Å
275	S	91	Very high	96.1	Very high	54 Å²	54	34 Å²	34	38%	0.378	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	126.8	174.4	-64.3	0	0	0	0	110.8	D220 H221 E222 E278	D220-S275 WeakPolarHBondContact O-CB 3.02Å; D220-S275 PolarHBondContact O-OG 2.79Å; H221-S275 PolarHBondContact O-N 3.18Å; H221-S275 PolarHBondContact O-OG 3.23Å; E222-S275 PolarHBondContact N-OG 3.47Å; S275-E278 WeakPolarHBondContact CA-OE1 3.14Å
276	G	89.9	Confident	96	Very high	65 Å²	65	36 Å²	36	67%	0.67	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.7	-8.2	-178.6	0	0	0	0	0	115	P274 E278	P274-G276 PolarHBondContact O-N 2.73Å; G276-E278 WeakPolarHBondContact CA-OE2 3.27Å; G276-E278 VanDerWaalsContact N-CD 3.26Å; G276-E278 PolarHBondContact N-OE1 3.25Å; G276-E278 PolarHBondContact N-OE2 3.27Å
277	E	93.8	Very high	95.9	Very high	63 Å²	63	33.9 Å²	33.9	29%	0.294	18%	0.183	S	C	.	.			trans	-100	3.5	175.7	-64.8	-158.6	-154.8	0	0	113.4	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.35Å; P274-E277 HydrophobicContact CB-CG 4.19Å; P274-E277 PolarHBondContact O-N 2.86Å; P274-E277 VanDerWaalsContact O-N 3.07Å; E277-Q279 PolarHBondContact O-N 3.18Å; E277-R280 WeakPolarHBondContact O-CB 3.3Å; E277-R280 PolarHBondContact O-N 2.79Å; E277-R280 IonicContact OE1-NH1 2.65Å; E277-R280 IonicContact OE2-CZ 3.19Å; E277-R280 IonicContact OE2-NH1 2.91Å; E277-R280 PolarHBondContact OE2-NH1 2.84Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.38Å
278	E	94	Very high	95.5	Very high	20 Å²	20	35.9 Å²	35.9	9%	0.093	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.6	-171.1	-56.3	83.3	178.2	0	0	112.9	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.39Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; S275-E278 WeakPolarHBondContact CA-OE1 3.14Å; G276-E278 WeakPolarHBondContact CA-OE2 3.27Å; G276-E278 VanDerWaalsContact N-CD 3.26Å; G276-E278 PolarHBondContact N-OE1 3.25Å; G276-E278 PolarHBondContact N-OE2 3.27Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.93Å; E278-Y281 PolarHBondContact O-N 2.98Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.83Å; E278-W298 HydrophobicContact CG-CE3 3.77Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å
279	Q	93.9	Very high	95.2	Very high	88 Å²	88	35.3 Å²	35.3	41%	0.411	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-72.8	-16.1	-179.1	-63.7	-57.7	-47.8	0	0	114.1	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.18Å; Q279-Y281 VanDerWaalsContact C-N 3.3Å; Q279-W298 PolarHBondContact NE2-O 3.08Å
280	R	95.4	Very high	95	Very high	86 Å²	86	36.4 Å²	36.4	33%	0.325	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-79.9	-17.2	174.3	-61.8	176.2	68.5	-168	0.9	112.2	W243 D244 E277 E278	W243-R280 VanDerWaalsContact CE2-CZ 3.42Å; W243-R280 VanDerWaalsContact CE2-NH2 3.31Å; W243-R280 VanDerWaalsContact CZ2-CZ 3.42Å; W243-R280 VanDerWaalsContact CZ2-NH1 3.28Å; D244-R280 PolarHBondContact N-O 2.84Å; D244-R280 IonicContact OD1-NE 2.71Å; D244-R280 IonicContact OD2-CZ 2.79Å; D244-R280 IonicContact OD2-NE 2.73Å; D244-R280 PolarHBondContact OD2-NE 2.91Å; D244-R280 IonicContact OD2-NH2 3.63Å; D244-R280 PolarHBondContact OD2-NH2 2.83Å; E277-R280 WeakPolarHBondContact O-CB 3.3Å; E277-R280 PolarHBondContact O-N 2.79Å; E277-R280 IonicContact OE1-NH1 2.65Å; E277-R280 IonicContact OE2-CZ 3.19Å; E277-R280 IonicContact OE2-NH1 2.91Å; E277-R280 PolarHBondContact OE2-NH1 2.84Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.93Å
281	Y	96.6	Very high	94.7	Very high	17 Å²	17	42.1 Å²	42.1	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.6	179.5	-69.9	-95.5	0	0	0	111.1	L225 Q242 W243 Q248 V271 V273 E277 E278 Q279	L225-Y281 HydrophobicContact CD1-CG 4.5Å; Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.39Å; W243-Y281 HydrophobicContact CB-CD1 4.29Å; W243-Y281 HydrophobicContact CB-CE1 4.05Å; W243-Y281 AromaticContact CD1-CE2 3.72Å; W243-Y281 AromaticContact CD1-CZ 3.77Å; W243-Y281 HydrophobicContact CG-CE1 4.29Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å; V271-Y281 HydrophobicContact CG1-CD1 4.04Å; V271-Y281 HydrophobicContact CG1-CE1 4.43Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 HydrophobicContact CG2-CE1 4.06Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.69Å; V273-Y281 HydrophobicContact CG1-CD1 3.82Å; V273-Y281 HydrophobicContact CG1-CD2 3.58Å; V273-Y281 HydrophobicContact CG1-CE1 3.74Å; V273-Y281 HydrophobicContact CG1-CE2 3.5Å; V273-Y281 HydrophobicContact CG1-CG 3.74Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.38Å; E278-Y281 PolarHBondContact O-N 2.98Å; Q279-Y281 VanDerWaalsContact C-N 3.3Å
282	T	97.6	Very high	94.5	Very high	12 Å²	12	49.1 Å²	49.1	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.8	174.8	47.6	0	0	0	0	110.8	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.42Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 3.36Å; Q242-T282 PolarHBondContact O-N 2.93Å; T282-H284 PolarHBondContact OG1-NE2 2.67Å; T282-H284 VanDerWaalsContact OG1-NE2 3.1Å; T282-T295 HydrophobicContact CG2-CG2 3.95Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.16Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å
283	C	97.9	Very high	94.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.9	170.6	174.5	0	0	0	0	109.7	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.13Å; C227-C283 WeakPolarHBondContact SG-CB 3.46Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.88Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.4Å; W241-C283 HydrophobicContact CD2-CB 4.12Å; W241-C283 HydrophobicContact CE3-CB 4.01Å; W241-C283 HydrophobicContact CH2-CB 3.94Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.92Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.33Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 2.63Å; C283-L296 PolarHBondContact O-N 2.82Å
284	H	97.6	Very high	94.5	Very high	33 Å²	33	50.2 Å²	50.2	15%	0.153	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.7	176.5	-65.8	-101.9	0	0	0	110	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.28Å; T240-H284 PolarHBondContact N-O 3.46Å; T240-H284 PolarHBondContact O-N 3.26Å; T240-H284 WeakPolarHBondContact OG1-CB 3.26Å; Q242-H284 PolarHBondContact OE1-NE2 3.49Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.08Å; T282-H284 PolarHBondContact OG1-NE2 2.67Å; T282-H284 VanDerWaalsContact OG1-NE2 3.1Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 WeakPolarHBondContact CA-O 3.4Å; H284-T295 PolarHBondContact CE1-OG1 3.27Å; H284-T295 PolarHBondContact ND1-OG1 3.3Å
285	V	97.8	Very high	94.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.7	-178	-175.4	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.14Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; I237-V285 HydrophobicContact CD1-CG1 3.99Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; T238-V285 WeakPolarHBondContact O-CA 3.38Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CD1-CG2 4.48Å; L239-V285 HydrophobicContact CG-CG2 4.29Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; V285-P293 WeakPolarHBondContact O-CA 3.31Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 2.71Å; V285-L294 PolarHBondContact O-N 2.94Å; V285-L296 HydrophobicContact CG2-CD1 3.78Å
286	Q	96.9	Very high	94.8	Very high	67 Å²	67	50.7 Å²	50.7	31%	0.313	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.5	175.4	-55.5	179.8	12.6	0	0	109.3	W23 I237 T238 P293	W23-Q286 HydrophobicContact CZ2-CB 4.42Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.47Å; T238-Q286 PolarHBondContact N-O 2.8Å; T238-Q286 PolarHBondContact O-N 2.73Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.12Å
287	H	95.2	Very high	95.1	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	27%	0.274	C	S	.	.			trans	-156.8	150.6	-176.7	-173.6	-97	0	0	0	110.5	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 VanDerWaalsContact CZ2-C 3.42Å; E207-H287 PolarHBondContact O-CE1 2.79Å; E207-H287 VanDerWaalsContact O-CE1 3.22Å; P209-H287 HydrophobicContact CG-CB 4.02Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.17Å; P234-H287 PolarHBondContact O-NE2 3.2Å; E236-H287 PolarHBondContact O-CD2 2.94Å; I237-H287 HydrophobicContact CD1-CB 4.27Å; I237-H287 HydrophobicContact CG1-CB 4.07Å; H287-G289 PolarHBondContact ND1-N 3.42Å; H287-G289 PolarHBondContact O-N 3.27Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 2.99Å
288	E	91.1	Very high	95.2	Very high	63 Å²	63	53.8 Å²	53.8	29%	0.294	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-33.8	-172.9	-168.2	168.9	164.7	0	0	112.4	W23 C25 A206 L290	W23-E288 HydrophobicContact CD2-CB 4.42Å; W23-E288 HydrophobicContact CD2-CG 4.48Å; W23-E288 HydrophobicContact CE3-CB 3.33Å; W23-E288 HydrophobicContact CE3-CG 3.52Å; W23-E288 HydrophobicContact CH2-CB 4.14Å; W23-E288 HydrophobicContact CZ3-CB 3.21Å; W23-E288 HydrophobicContact CZ3-CG 3.96Å; C25-E288 PolarHBondContact SG-OE1 3.03Å; A206-E288 HydrophobicContact CB-CB 4.49Å; A206-E288 HydrophobicContact CB-CG 4.5Å; E288-L290 PolarHBondContact O-N 3.39Å
289	G	90.8	Very high	94.9	Very high	12 Å²	12	60.7 Å²	60.7	12%	0.124	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-44.6	174.5	0	0	0	0	0	109.5	H208 H287	H208-G289 PolarHBondContact CE1-O 2.89Å; H208-G289 PolarHBondContact ND1-O 3.38Å; H287-G289 PolarHBondContact ND1-N 3.42Å; H287-G289 PolarHBondContact O-N 3.27Å
290	L	93.6	Very high	94.3	Very high	22 Å²	22	60.2 Å²	60.2	12%	0.115	31%	0.305	C	S	.	.			trans	-69.3	127.1	-168.7	-63.8	169.6	0	0	0	112.3	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 4.12Å; H208-L290 WeakPolarHBondContact ND1-CA 3.36Å; H208-L290 PolarHBondContact ND1-N 2.87Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.43Å; H287-L290 PolarHBondContact O-N 2.99Å; E288-L290 PolarHBondContact O-N 3.39Å; L290-E292 WeakPolarHBondContact CB-O 3.45Å; L290-E292 PolarHBondContact O-N 2.86Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CD2 4.4Å; L290-L294 HydrophobicContact CD2-CG 3.84Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.45Å
291	P	91.4	Very high	92.8	Very high	123 Å²	123	61.2 Å²	61.2	80%	0.799	33%	0.325	S	S	*	.	S	Bend	trans	-65.7	-30.8	175.8	27.9	-34.5	0	0	0	111.8
292	E	92.7	Very high	90.6	Very high	149 Å²	149	65.7 Å²	65.7	70%	0.696	36%	0.359	S	S	*	.	S	Bend	trans	-141.1	148.9	174.6	-65.7	-177.1	179.1	0	0	109.4	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.45Å; L290-E292 PolarHBondContact O-N 2.86Å; E292-L294 PolarHBondContact O-N 2.84Å
293	P	95.1	Very high	88	Confident	68 Å²	68	73 Å²	73	44%	0.442	39%	0.392	S	S	.	.			trans	-53.5	136	173.9	-27.8	36.4	0	0	0	112.6	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.31Å; Q286-P293 HydrophobicContact CG-CB 4.02Å; Q286-P293 HydrophobicContact CG-CG 4.12Å
294	L	96.4	Very high	85.5	Confident	60 Å²	60	77.5 Å²	77.5	31%	0.314	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	140.4	175	-63.9	177.7	0	0	0	110.4	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.38Å; H284-L294 CarbonylContact C-O 3.58Å; H284-L294 WeakPolarHBondContact CA-O 3.4Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 2.71Å; V285-L294 PolarHBondContact O-N 2.94Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CD2 4.4Å; L290-L294 HydrophobicContact CD2-CG 3.84Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.45Å; E292-L294 PolarHBondContact O-N 2.84Å
295	T	97.2	Very high	83.3	Confident	83 Å²	83	82.2 Å²	82.2	51%	0.509	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.2	170.5	-56.2	0	0	0	0	108.7	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.95Å; C283-T295 CarbonylContact O-C 3.56Å; C283-T295 WeakPolarHBondContact O-CA 3.33Å; H284-T295 PolarHBondContact CE1-OG1 3.27Å; H284-T295 PolarHBondContact ND1-OG1 3.3Å
296	L	96.8	Very high	81.2	Confident	33 Å²	33	87 Å²	87	17%	0.173	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.7	-174.7	-62	142.2	0	0	0	110	T211 V213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.14Å; V213-L296 HydrophobicContact CG2-CB 3.85Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 WeakPolarHBondContact CA-O 3.16Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 2.63Å; C283-L296 PolarHBondContact O-N 2.82Å; V285-L296 HydrophobicContact CG2-CD1 3.78Å
297	R	95.7	Very high	79.3	Confident	148 Å²	148	87.7 Å²	87.7	56%	0.558	49%	0.488	S	S	*	.			trans	-117.8	161.9	166.7	-70.5	-176.1	178	168.9	-1.5	109.3	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.64Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å; R297-E299 PolarHBondContact O-N 3.25Å
298	W	95.3	Very high	77.7	Confident	45 Å²	45	93.2 Å²	93.2	17%	0.17	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-70.4	121.9	167.9	170.7	56.8	0	0	0	110.1	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.81Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 VanDerWaalsContact CB-CE2 3.5Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 3.98Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.77Å; H215-W298 AromaticContact ND1-CZ2 3.92Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.96Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.83Å; E278-W298 HydrophobicContact CG-CE3 3.77Å; E278-W298 HydrophobicContact CG-CZ3 3.79Å; Q279-W298 PolarHBondContact NE2-O 3.08Å; W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.28Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.04Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.12Å
299	E	88.9	Confident	76.3	Confident	165 Å²	165	96.1 Å²	96.1	77%	0.771	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-100.1	119.8	169.1	-72.7	-178	177.5	0	0	109.2	R297 S301	R297-E299 PolarHBondContact O-N 3.25Å; E299-S301 PolarHBondContact O-N 3.06Å
300	P	80.6	Confident	75.2	Confident	78 Å²	78	97.6 Å²	97.6	51%	0.506	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-57.9	127.4	170.6	-19.3	30	0	0	0	108.7	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.28Å; W298-P300 HydrophobicContact CH2-CG 3.93Å; W298-P300 HydrophobicContact CZ2-CB 4.04Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.12Å; P300-S302 PolarHBondContact O-N 3.22Å
301	S	64.5	Low	74.3	Confident	106 Å²	106	101 Å²	101	74%	0.741	57%	0.571	S	S	*	*			trans	-58.6	110.8	-177.2	73.8	0	0	0	0	109.8	E299 Q303	E299-S301 PolarHBondContact O-N 3.06Å; S301-Q303 PolarHBondContact O-N 3.46Å
302	S	48.7	Very low	73.6	Confident	111 Å²	111	99.5 Å²	99.5	78%	0.776	56%	0.559	S	S	*	*			trans	-78	65.8	165.9	59	0	0	0	0	108.3	P300 P304	P300-S302 PolarHBondContact O-N 3.22Å; S302-P304 WeakPolarHBondContact O-CD 3.46Å
303	Q	44.7	Very low	72.9	Confident	165 Å²	165	94.9 Å²	94.9	77%	0.771	55%	0.546	S	S	*	.			trans	-78	102.4	150.6	-81.3	-166.3	-13.3	0	0	105.2	S301 T305	S301-Q303 PolarHBondContact O-N 3.46Å; Q303-T305 PolarHBondContact O-N 3.42Å
304	P	44.9	Very low	72.3	Confident	96 Å²	96	93.3 Å²	93.3	62%	0.623	54%	0.543	S	S	*	.			trans	-58.9	117.3	161.6	26.4	-30.6	0	0	0	104.7	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.46Å; P304-I306 HydrophobicContact CB-CG1 3.91Å; P304-I306 HydrophobicContact CG-CD1 4.31Å; P304-I306 HydrophobicContact CG-CG1 3.97Å; P304-I306 PolarHBondContact O-N 3.17Å
305	T	50.2	Low	71.8	Confident	132 Å²	132	95.6 Å²	95.6	81%	0.81	56%	0.555	S	S	*	*			trans	-64.9	75	156.4	-41.7	0	0	0	0	105.2	Q303 P307	Q303-T305 PolarHBondContact O-N 3.42Å; T305-P307 WeakPolarHBondContact O-CD 3.21Å
306	I	54.6	Low	71.1	Confident	99 Å²	99	94.2 Å²	94.2	51%	0.508	55%	0.551	S	S	.	*			trans	-56.6	117.2	165.8	-60.7	177.9	0	0	0	102.5	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 3.91Å; P304-I306 HydrophobicContact CG-CD1 4.31Å; P304-I306 HydrophobicContact CG-CG1 3.97Å; P304-I306 PolarHBondContact O-N 3.17Å; I306-I308 HydrophobicContact CB-CG1 4.3Å; I306-I308 HydrophobicContact CG2-CG1 4.05Å; I306-I308 PolarHBondContact O-N 2.87Å; I306-I311 HydrophobicContact CG2-CD1 4.01Å
307	P	57.4	Low	70.6	Confident	82 Å²	82	96.8 Å²	96.8	53%	0.532	57%	0.568	S	S	.	*			trans	-74.6	75.4	-179.6	31.1	-32	0	0	0	106.4	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.21Å; P307-V309 PolarHBondContact O-N 3.07Å; P307-G310 WeakPolarHBondContact O-CA 3.39Å; P307-G310 PolarHBondContact O-N 3.02Å; P307-I311 PolarHBondContact O-N 3.04Å
308	I	61	Low	70.1	Confident	118 Å²	118	95.2 Å²	95.2	61%	0.605	57%	0.57	S	S	*	*	H	α-helix	trans	-54.7	-36.5	177.7	-65.4	170.6	0	0	0	108.3	I306 G310 I311 V312	I306-I308 HydrophobicContact CB-CG1 4.3Å; I306-I308 HydrophobicContact CG2-CG1 4.05Å; I306-I308 PolarHBondContact O-N 2.87Å; I308-G310 PolarHBondContact O-N 3.32Å; I308-I311 PolarHBondContact O-N 3.3Å; I308-V312 HydrophobicContact CG2-CG2 4.31Å; I308-V312 WeakPolarHBondContact O-CB 3.21Å; I308-V312 WeakPolarHBondContact O-CG2 3.06Å; I308-V312 PolarHBondContact O-N 3.19Å
309	V	62.3	Low	69.6	Low	123 Å²	123	95.7 Å²	95.7	75%	0.745	58%	0.584	S	S	*	*	H	α-helix	trans	-61.7	-41.5	172.8	178.6	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.07Å; V309-A313 WeakPolarHBondContact O-CB 3.41Å; V309-A313 PolarHBondContact O-N 3.33Å
310	G	67.6	Low	69.4	Low	44 Å²	44	92 Å²	92	45%	0.454	57%	0.572	S	S	.	*	H	α-helix	trans	-68.7	-38.9	179	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.39Å; P307-G310 PolarHBondContact O-N 3.02Å; I308-G310 PolarHBondContact O-N 3.32Å; G310-G314 PolarHBondContact O-N 2.94Å
311	I	74.6	Confident	69.6	Low	93 Å²	93	93.4 Å²	93.4	48%	0.477	58%	0.575	S	S	.	*	H	α-helix	trans	-69.3	-44.5	176.6	-62.2	172.8	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.01Å; P307-I311 PolarHBondContact O-N 3.04Å; I308-I311 PolarHBondContact O-N 3.3Å; I311-G314 PolarHBondContact O-N 3.2Å; I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 WeakPolarHBondContact O-CB 3.36Å; I311-L315 WeakPolarHBondContact O-CG 3.33Å; I311-L315 PolarHBondContact O-N 3.09Å
312	V	76.9	Confident	70.5	Confident	92 Å²	92	91.5 Å²	91.5	56%	0.558	57%	0.566	S	S	*	*	H	α-helix	trans	-65.2	-42.5	178.1	172.5	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.31Å; I308-V312 WeakPolarHBondContact O-CB 3.21Å; I308-V312 WeakPolarHBondContact O-CG2 3.06Å; I308-V312 PolarHBondContact O-N 3.19Å; V312-L315 PolarHBondContact O-N 2.9Å; V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 2.98Å
313	A	76.6	Confident	72	Confident	52 Å²	52	90.6 Å²	90.6	43%	0.43	56%	0.556	S	S	.	*	H	α-helix	trans	-63.1	-43.4	174.8	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.41Å; V309-A313 PolarHBondContact O-N 3.33Å; A313-A316 PolarHBondContact O-N 3.32Å; A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.17Å; A313-V317 PolarHBondContact O-N 2.72Å
314	G	82.6	Confident	73.7	Confident	35 Å²	35	87.5 Å²	87.5	36%	0.361	54%	0.544	S	S	.	.	H	α-helix	trans	-61.3	-44	176.7	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.94Å; I311-G314 PolarHBondContact O-N 3.2Å; G314-V317 PolarHBondContact O-N 2.88Å; G314-L318 PolarHBondContact O-N 3.39Å
315	L	86	Confident	75.4	Confident	108 Å²	108	84.9 Å²	84.9	57%	0.565	53%	0.534	S	S	*	.	H	α-helix	trans	-66.9	-38.8	177.1	-72.8	172	0	0	0	112.5	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 WeakPolarHBondContact O-CB 3.36Å; I311-L315 WeakPolarHBondContact O-CG 3.33Å; I311-L315 PolarHBondContact O-N 3.09Å; V312-L315 PolarHBondContact O-N 2.9Å; L315-L318 PolarHBondContact O-N 2.92Å; L315-A319 WeakPolarHBondContact O-CB 3.36Å; L315-A319 PolarHBondContact O-N 3.25Å
316	A	83.2	Confident	76.7	Confident	53 Å²	53	81.2 Å²	81.2	44%	0.438	52%	0.517	S	S	.	.	H	α-helix	trans	-63.4	-43.1	175.9	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 2.98Å; A313-A316 PolarHBondContact O-N 3.32Å; A316-A319 PolarHBondContact O-N 3.01Å; A316-V320 VanDerWaalsContact O-CG2 3.32Å; A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 3.49Å
317	V	85.9	Confident	77.8	Confident	87 Å²	87	80.4 Å²	80.4	53%	0.527	52%	0.516	S	S	.	.	H	α-helix	trans	-63.4	-44.2	176.3	173.2	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 VanDerWaalsContact O-CG2 3.32Å; A313-V317 WeakPolarHBondContact O-CG2 3.17Å; A313-V317 PolarHBondContact O-N 2.72Å; G314-V317 PolarHBondContact O-N 2.88Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.47Å; V317-V320 PolarHBondContact O-N 3.27Å; V317-L321 HydrophobicContact CG1-CD1 3.98Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; V317-L321 PolarHBondContact O-N 3.42Å
318	L	85.5	Confident	78.7	Confident	115 Å²	115	80.6 Å²	80.6	60%	0.602	52%	0.516	S	S	*	.	H	α-helix	trans	-60.7	-42.1	176.2	-86.5	163.9	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.39Å; L315-L318 PolarHBondContact O-N 2.92Å; L318-L321 PolarHBondContact O-N 3.36Å; L318-A322 WeakPolarHBondContact O-CB 3.47Å; L318-A322 PolarHBondContact O-N 3.03Å
319	A	84.7	Confident	79.3	Confident	56 Å²	56	77.5 Å²	77.5	46%	0.463	51%	0.508	S	S	.	.	H	α-helix	trans	-63.5	-43.4	176.6	0	0	0	0	0	111.8	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.36Å; L315-A319 PolarHBondContact O-N 3.25Å; A316-A319 PolarHBondContact O-N 3.01Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 3.47Å; A319-A322 PolarHBondContact O-N 3.39Å; A319-V323 WeakPolarHBondContact O-CG2 3.47Å; A319-V323 PolarHBondContact O-N 3.26Å
320	V	84.7	Confident	79.8	Confident	87 Å²	87	75.4 Å²	75.4	53%	0.527	50%	0.495	S	S	.	.	H	α-helix	trans	-62.7	-43.8	176.7	171.9	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 VanDerWaalsContact O-CG2 3.32Å; A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 3.49Å; V317-V320 PolarHBondContact O-N 3.27Å; V320-A322 PolarHBondContact O-N 3.48Å; V320-V323 PolarHBondContact O-N 3.42Å; V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 WeakPolarHBondContact O-CG 3.39Å; V320-L324 PolarHBondContact O-N 3.04Å
321	L	85.1	Confident	80	Confident	107 Å²	107	77.1 Å²	77.1	56%	0.56	50%	0.497	S	S	*	.	H	α-helix	trans	-64.3	-38.9	177.1	-71.2	173.9	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.98Å; V317-L321 HydrophobicContact CG1-CG 4.4Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; V317-L321 PolarHBondContact O-N 3.42Å; L318-L321 PolarHBondContact O-N 3.36Å; L321-L324 PolarHBondContact O-N 3Å; L321-G325 PolarHBondContact O-N 2.88Å
322	A	82.5	Confident	79.8	Confident	66 Å²	66	79 Å²	79	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-42.2	175.8	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.47Å; L318-A322 PolarHBondContact O-N 3.03Å; A319-A322 PolarHBondContact O-N 3.39Å; V320-A322 PolarHBondContact O-N 3.48Å; A322-G325 PolarHBondContact O-N 2.82Å; A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 3.18Å
323	V	82.1	Confident	79	Confident	93 Å²	93	78.9 Å²	78.9	56%	0.564	51%	0.507	S	S	*	.	H	α-helix	trans	-65.2	-45.3	176.3	173.4	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.47Å; A319-V323 PolarHBondContact O-N 3.26Å; V320-V323 PolarHBondContact O-N 3.42Å; V323-G325 VanDerWaalsContact C-N 3.35Å; V323-G325 PolarHBondContact O-N 3.23Å; V323-A326 PolarHBondContact O-N 2.66Å; V323-V327 HydrophobicContact CG1-CG2 4.45Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.4Å; V323-V327 PolarHBondContact O-N 3.1Å
324	L	80.4	Confident	78.2	Confident	100 Å²	100	85.2 Å²	85.2	52%	0.524	52%	0.52	S	S	.	.	H	α-helix	trans	-61.6	-43	176.1	-73.9	169.3	0	0	0	111.6	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.95Å; V320-L324 WeakPolarHBondContact O-CG 3.39Å; V320-L324 PolarHBondContact O-N 3.04Å; L321-L324 PolarHBondContact O-N 3Å; L324-A326 PolarHBondContact O-N 2.72Å; L324-V327 PolarHBondContact O-N 3.16Å; L324-V328 WeakPolarHBondContact O-CG2 3.34Å; L324-V328 PolarHBondContact O-N 2.89Å
325	G	79.9	Confident	77	Confident	41 Å²	41	93.4 Å²	93.4	42%	0.423	54%	0.54	S	S	.	.	H	α-helix	trans	-59.9	-43.8	174.7	0	0	0	0	0	112.7	L321 A322 V323 V328 A329	L321-G325 PolarHBondContact O-N 2.88Å; A322-G325 PolarHBondContact O-N 2.82Å; V323-G325 VanDerWaalsContact C-N 3.35Å; V323-G325 PolarHBondContact O-N 3.23Å; G325-V328 PolarHBondContact O-N 3.28Å; G325-A329 WeakPolarHBondContact O-CB 3.37Å; G325-A329 PolarHBondContact O-N 3.39Å
326	A	77.8	Confident	75.2	Confident	54 Å²	54	97.1 Å²	97.1	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-64.5	-41.5	175.9	0	0	0	0	0	112.3	A322 V323 L324 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 3.18Å; V323-A326 PolarHBondContact O-N 2.66Å; L324-A326 PolarHBondContact O-N 2.72Å; A326-A329 PolarHBondContact O-N 3.11Å; A326-V330 VanDerWaalsContact O-CG2 3.31Å; A326-V330 WeakPolarHBondContact O-CG2 3.3Å; A326-V330 PolarHBondContact O-N 2.9Å
327	V	78	Confident	73.7	Confident	82 Å²	82	98.9 Å²	98.9	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-63.5	-44.7	176.5	171.6	0	0	0	0	110.8	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.45Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.4Å; V323-V327 PolarHBondContact O-N 3.1Å; L324-V327 PolarHBondContact O-N 3.16Å; V327-A329 PolarHBondContact O-N 2.72Å; V327-V330 PolarHBondContact O-N 2.73Å; V327-V331 HydrophobicContact CG1-CG2 4.38Å; V327-V331 WeakPolarHBondContact O-CB 3.46Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.3Å; V327-V331 PolarHBondContact O-N 3.3Å
328	V	75.8	Confident	71.8	Confident	86 Å²	86	99.8 Å²	99.8	52%	0.521	57%	0.571	S	S	.	*	H	α-helix	trans	-61.7	-44.1	175.9	172.2	0	0	0	0	110.8	L324 G325 V330 V331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.34Å; L324-V328 PolarHBondContact O-N 2.89Å; G325-V328 PolarHBondContact O-N 3.28Å; V328-V330 PolarHBondContact O-N 3.19Å; V328-V331 PolarHBondContact O-N 3.3Å; V328-M332 HydrophobicContact CG1-CG 4.38Å; V328-M332 HydrophobicContact CG1-SD 4.24Å; V328-M332 WeakPolarHBondContact O-CB 3.22Å; V328-M332 WeakPolarHBondContact O-CG 3.23Å; V328-M332 PolarHBondContact O-N 3.43Å
329	A	72.8	Confident	69.9	Low	53 Å²	53	97.5 Å²	97.5	44%	0.438	58%	0.575	S	S	.	*	H	α-helix	trans	-60.9	-43.5	176.6	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.37Å; G325-A329 PolarHBondContact O-N 3.39Å; A326-A329 PolarHBondContact O-N 3.11Å; V327-A329 PolarHBondContact O-N 2.72Å; A329-M332 PolarHBondContact O-N 3.35Å; A329-C333 WeakPolarHBondContact O-CB 3.27Å; A329-C333 PolarHBondContact O-N 2.72Å; A329-C333 PolarHBondContact O-SG 3.06Å; A329-C333 VanDerWaalsContact O-SG 3.42Å
330	V	73.3	Confident	67.6	Low	80 Å²	80	98.9 Å²	98.9	49%	0.485	60%	0.595	S	S	.	*	H	α-helix	trans	-65.1	-41.3	176.3	169.9	0	0	0	0	111.6	A326 V327 V328 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.31Å; A326-V330 WeakPolarHBondContact O-CG2 3.3Å; A326-V330 PolarHBondContact O-N 2.9Å; V327-V330 PolarHBondContact O-N 2.73Å; V328-V330 PolarHBondContact O-N 3.19Å; V330-C333 PolarHBondContact O-N 3.35Å; V330-R334 WeakPolarHBondContact O-CB 3.17Å; V330-R334 WeakPolarHBondContact O-CG 3.31Å; V330-R334 PolarHBondContact O-N 3.06Å
331	V	71.7	Confident	65.2	Low	80 Å²	80	105.2 Å²	105.2	49%	0.485	62%	0.615	S	S	.	*	H	α-helix	trans	-67.5	-39.4	177.8	171.1	0	0	0	0	111.2	V327 V328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.38Å; V327-V331 WeakPolarHBondContact O-CB 3.46Å; V327-V331 VanDerWaalsContact O-CG2 3.27Å; V327-V331 WeakPolarHBondContact O-CG2 3.3Å; V327-V331 PolarHBondContact O-N 3.3Å; V328-V331 PolarHBondContact O-N 3.3Å; V331-R334 PolarHBondContact O-N 3.42Å; V331-R335 PolarHBondContact O-N 2.9Å
332	M	70.1	Confident	62.8	Low	132 Å²	132	104 Å²	104	65%	0.65	63%	0.628	S	S	*	*	H	α-helix	trans	-66.9	-41	174.2	-72.8	-168.8	74.8	0	0	112.1	V328 A329 R334 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.38Å; V328-M332 HydrophobicContact CG1-SD 4.24Å; V328-M332 WeakPolarHBondContact O-CB 3.22Å; V328-M332 WeakPolarHBondContact O-CG 3.23Å; V328-M332 PolarHBondContact O-N 3.43Å; A329-M332 PolarHBondContact O-N 3.35Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 2.75Å; M332-R335 PolarHBondContact O-N 2.87Å; M332-K336 WeakPolarHBondContact O-CB 3.42Å; M332-K336 PolarHBondContact O-N 2.93Å
333	C	60.8	Low	60.3	Low	89 Å²	89	105 Å²	105	60%	0.601	65%	0.645	S	S	*	*	H	α-helix	trans	-61.8	-40.5	172.7	-78.6	0	0	0	0	111.8	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.27Å; A329-C333 PolarHBondContact O-N 2.72Å; A329-C333 PolarHBondContact O-SG 3.06Å; A329-C333 VanDerWaalsContact O-SG 3.42Å; V330-C333 PolarHBondContact O-N 3.35Å; C333-K336 PolarHBondContact O-N 3.1Å; C333-S337 PolarHBondContact O-N 3.15Å; C333-S337 PolarHBondContact O-OG 2.62Å
334	R	60	Low	58.1	Low	185 Å²	185	105.9 Å²	105.9	70%	0.698	66%	0.656	S	S	*	*	H	α-helix	trans	-69.7	-33.4	176.3	-79.5	-173.4	157.3	165.4	-3.5	113.7	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.17Å; V330-R334 WeakPolarHBondContact O-CG 3.31Å; V330-R334 PolarHBondContact O-N 3.06Å; V331-R334 PolarHBondContact O-N 3.42Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 2.75Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-S337 WeakPolarHBondContact CA-OG 3.3Å; R334-S337 PolarHBondContact O-OG 3.36Å
335	R	56.1	Low	55.9	Low	208 Å²	208	106.6 Å²	106.6	79%	0.785	67%	0.668	S	S	*	*	H	α-helix	trans	-70.4	-28.9	170.8	-98.4	-175.2	169.4	174.4	-1.8	112.6	V331 M332	V331-R335 PolarHBondContact O-N 2.9Å; M332-R335 PolarHBondContact O-N 2.87Å
336	K	48.9	Very low	53.6	Low	185 Å²	185	110.8 Å²	110.8	80%	0.804	69%	0.691	S	S	*	*	H	α-helix	trans	-82.2	-21.2	177.6	-161.4	167.9	-178.5	178.1	0	113.2	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.42Å; M332-K336 PolarHBondContact O-N 2.93Å; C333-K336 PolarHBondContact O-N 3.1Å; R334-K336 VanDerWaalsContact C-N 3.33Å
337	S	50.7	Low	51.5	Low	91 Å²	91	117.4 Å²	117.4	64%	0.636	71%	0.712	S	S	*	*	S	Bend	trans	-91.2	2.5	178.2	61.7	0	0	0	0	115.2	C333 R334 G339	C333-S337 PolarHBondContact O-N 3.15Å; C333-S337 PolarHBondContact O-OG 2.62Å; R334-S337 WeakPolarHBondContact CA-OG 3.3Å; R334-S337 PolarHBondContact O-OG 3.36Å; S337-G339 VanDerWaalsContact C-N 3.32Å
338	S	48.1	Very low	49.7	Very low	106 Å²	106	118.1 Å²	118.1	74%	0.741	73%	0.727	S	S	*	*	S	Bend	trans	-92.9	22.1	176.1	77.5	0	0	0	0	114.1
339	G	44.8	Very low	47.5	Very low	66 Å²	66	119 Å²	119	68%	0.68	74%	0.743	S	S	*	*	S	Bend	trans	-154.9	104	172.4	0	0	0	0	0	111.2	S337	S337-G339 VanDerWaalsContact C-N 3.32Å
340	G	35.2	Very low	45.8	Very low	86 Å²	86	121.8 Å²	121.8	89%	0.887	76%	0.759	S	S	*	*			trans	136	120.1	167.5	0	0	0	0	0	114.4
341	K	36	Very low	44.1	Very low	219 Å²	219	122.4 Å²	122.4	95%	0.952	77%	0.767	S	S	*	*			trans	-104	144.2	-170.5	-175.4	168.5	178.8	174.5	0	109.6
342	G	33.3	Very low	42.5	Very low	81 Å²	81	126 Å²	126	84%	0.835	78%	0.784	S	S	*	*			trans	132.6	130.6	151.4	0	0	0	0	0	117.5
343	G	31.5	Very low	40.9	Very low	87 Å²	87	125.9 Å²	125.9	90%	0.897	80%	0.796	S	S	*	*			trans	130.2	119	145	0	0	0	0	0	116.6
344	S	35.1	Very low	39.9	Very low	113 Å²	113	126 Å²	126	79%	0.79	80%	0.804	S	S	*	*			trans	-93.4	158.9	-171.6	-178.1	0	0	0	0	115.1
345	C	33.3	Very low	38.7	Very low	115 Å²	115	127.1 Å²	127.1	78%	0.777	82%	0.817	S	S	*	*			trans	35.7	136.9	151.2	-83.4	0	0	0	0	123.7
346	S	32.6	Very low	37.5	Very low	129 Å²	129	120.6 Å²	120.6	90%	0.902	81%	0.814	S	S	*	*				-151	148.6	125.6	-66.5	0	0	0	0	111
347	Q	34.5	Very low	36.9	Very low	192 Å²	192	116.9 Å²	116.9	90%	0.897	81%	0.812	S	S	*	*			trans	-99.9	160.1	-157.9	-170.7	171.1	-2.6	0	0	112.4
348	A	39.2	Very low	36.2	Very low	98 Å²	98	119.9 Å²	119.9	81%	0.81	82%	0.82	S	S	*	*			trans	-67.7	162.2	-177.8	0	0	0	0	0	115.4
349	A	30.1	Very low	35.5	Very low	103 Å²	103	123.1 Å²	123.1	85%	0.851	82%	0.824	S	S	*	*			trans	-140.1	130	150.9	0	0	0	0	0	110.9
350	S	36.5	Very low	34.9	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	83%	0.828	S	S	*	*			trans	-75.5	174.1	172.4	60.1	0	0	0	0	111.1
351	S	38.1	Very low	34.9	Very low	93 Å²	93	128.8 Å²	128.8	65%	0.65	83%	0.826	S	S	*	*			cis	180	152.7	36	43.2	0	0	0	0	111.9
352	N	36.7	Very low	34.8	Very low	156 Å²	156	126.6 Å²	126.6	83%	0.834	82%	0.823	S	S	*	*			trans	49.5	133.8	134.8	-65.1	-8.4	0	0	0	123.8
353	S	38	Very low	34.8	Very low	129 Å²	129	126.5 Å²	126.5	90%	0.902	81%	0.814	S	S	*	*				-168.7	147.2	110.2	24.4	0	0	0	0	112
354	A	38.5	Very low	34.8	Very low	93 Å²	93	128.3 Å²	128.3	77%	0.769	81%	0.812	S	S	*	*			trans	-126.3	147.7	-179.5	0	0	0	0	0	109.7
355	Q	36.1	Very low	34.7	Very low	207 Å²	207	133 Å²	133	97%	0.967	82%	0.818	S	S	*	*			trans	157.4	142.4	153.8	-97.3	169.7	-26.7	0	0	107.7
356	G	29.3	Very low	34.8	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	85%	0.848	S	S	*	*			cis	-172.4	-170.7	11.8	0	0	0	0	0	110.2
357	S	37.1	Very low	34.9	Very low	107 Å²	107	136 Å²	136	75%	0.748	85%	0.845	S	S	*	*			trans	-91.2	166.5	-150.4	-24.4	0	0	0	0	116.9
358	D	36.8	Very low	34.9	Very low	154 Å²	154	133 Å²	133	82%	0.824	84%	0.843	S	S	*	*			trans	89.8	133.8	134.3	-75.1	-25.7	0	0	0	124.5
359	E	31.9	Very low	34.6	Very low	175 Å²	175	134.9 Å²	134.9	82%	0.818	84%	0.844	S	S	*	*			trans	98.9	115.2	136.2	-95.5	-163.9	147.8	0	0	123.3
360	S	32.5	Very low	34.9	Very low	108 Å²	108	136.8 Å²	136.8	76%	0.755	84%	0.844	S	S	*	*				109.4	123.7	121.4	76.1	0	0	0	0	119.3
361	L	35.4	Very low	34.8	Very low	163 Å²	163	138.4 Å²	138.4	85%	0.853	85%	0.848	S	S	*	*			trans	-56.4	148.5	159.5	-72.4	140.5	0	0	0	111.4
362	I	34	Very low	34.6	Very low	172 Å²	172	141.4 Å²	141.4	88%	0.882	86%	0.861	S	S	*	*				175.3	152.5	115.2	-88.7	168.9	0	0	0	110.3
363	A	34.3	Very low	34.4	Very low	80 Å²	80	140.4 Å²	140.4	66%	0.661	86%	0.863	S	S	*	*			trans	-86.7	171.5	-165	0	0	0	0	0	116.5
364	C	30.4	Very low	34.2	Very low	124 Å²	124	141.2 Å²	141.2	84%	0.838	86%	0.86	S	S	*	*			trans	85.9	142.7	138.1	-84.4	0	0	0	0	122.8
365	K	33	Very low	33.8	Very low	211 Å²	211	145.3 Å²	145.3	92%	0.917	87%	0.867	S	S	*	*			trans	85.7	136.4	166.1	-74.8	-178.9	171.7	177.2	0	117.2
366	A	35	Very low	33.6	Very low	171 Å²	171	139.6 Å²	139.6	100%	1.413	86%	0.858	S	S	*	*			cis	-134.9	0	13.8	0	0	0	0	0	112.4

Retrieved 366 of 366 residues in 129.4 ms (Link to these results)

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