A0A090KF65_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KF65, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	43.1	Very low	241 Å²	241	146.5 Å²	146.5	100%	1.187	74%	0.735	S	S	*	*				0	101.7	0	-78.8	163	149.4	0	0	108.2
2	R	34.8	Very low	43.3	Very low	251 Å²	251	144.8 Å²	144.8	95%	0.947	73%	0.729	S	S	*	*			trans	-85.5	108.8	169.8	-101.4	179.9	174	165.7	-1.9	106.6	M4	R2-M4 PolarHBondContact O-N 2.88Å; R2-M4 VanDerWaalsContact O-N 3.16Å
3	V	39.6	Very low	42.9	Very low	141 Å²	141	141.3 Å²	141.3	86%	0.855	71%	0.713	S	S	*	*			trans	-70.9	107.1	171.7	179.2	0	0	0	0	106.6	A5	V3-A5 PolarHBondContact O-N 2.7Å
4	M	42.7	Very low	42.9	Very low	180 Å²	180	135.8 Å²	135.8	89%	0.887	69%	0.694	S	S	*	*			trans	-83.1	99.8	175.9	-157.5	161.5	67	0	0	106.5	R2	R2-M4 PolarHBondContact O-N 2.88Å; R2-M4 VanDerWaalsContact O-N 3.16Å
5	A	44.9	Very low	42.9	Very low	57 Å²	57	128.9 Å²	128.9	47%	0.471	67%	0.67	S	S	.	*			trans	-60.6	139	173.9	0	0	0	0	0	109.2	V3 R7	V3-A5 PolarHBondContact O-N 2.7Å; A5-R7 PolarHBondContact O-N 3.18Å
6	P	44.1	Very low	42.8	Very low	75 Å²	75	123.9 Å²	123.9	49%	0.487	65%	0.654	S	S	.	*			trans	-63.4	129.7	-178.3	-13.1	26.6	0	0	0	109.4	T8 L9	P6-T8 PolarHBondContact O-N 2.85Å; P6-L9 WeakPolarHBondContact O-CB 3.36Å; P6-L9 PolarHBondContact O-N 3.17Å
7	R	49.6	Very low	42.3	Very low	224 Å²	224	123.3 Å²	123.3	85%	0.845	65%	0.65	S	S	*	*	H	α-helix	trans	-52.7	-24.7	175.7	-93.4	177.1	161	147.4	-6.5	113.6	A5 L11	A5-R7 PolarHBondContact O-N 3.18Å; R7-L11 PolarHBondContact O-N 2.63Å
8	T	48.6	Very low	42.1	Very low	100 Å²	100	119.6 Å²	119.6	61%	0.613	64%	0.64	S	S	*	*	H	α-helix	trans	-67.9	-32.6	173.2	30	0	0	0	0	113.7	P6 L12	P6-T8 PolarHBondContact O-N 2.85Å; T8-L12 PolarHBondContact O-N 3.46Å
9	L	43	Very low	41.9	Very low	99 Å²	99	118.4 Å²	118.4	52%	0.518	63%	0.633	S	S	.	*	H	α-helix	trans	-73	-35.3	178.1	-143.3	93.2	0	0	0	111.5	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.36Å; P6-L9 PolarHBondContact O-N 3.17Å; L9-L13 WeakPolarHBondContact O-CD1 3.33Å; L9-L13 PolarHBondContact O-N 3.05Å
10	L	43.3	Very low	41.6	Very low	120 Å²	120	117.1 Å²	117.1	63%	0.628	63%	0.63	S	S	*	*	H	α-helix	trans	-67.8	-38.5	177.1	-119.4	94.7	0	0	0	112	L13 S14	L10-L13 PolarHBondContact O-N 3.33Å; L10-S14 PolarHBondContact O-N 3.22Å; L10-S14 PolarHBondContact O-OG 2.97Å
11	L	49.6	Very low	41.4	Very low	123 Å²	123	119.4 Å²	119.4	64%	0.644	64%	0.637	S	S	*	*	H	α-helix	trans	-67.7	-40.2	178.6	-77.8	165.8	0	0	0	112.6	R7 L13 S14 G15	R7-L11 PolarHBondContact O-N 2.63Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-S14 VanDerWaalsContact CA-OG 3.3Å; L11-S14 WeakPolarHBondContact CA-OG 3.1Å; L11-S14 PolarHBondContact O-N 3.22Å; L11-S14 PolarHBondContact O-OG 3.04Å; L11-G15 PolarHBondContact O-N 2.98Å
12	L	44.7	Very low	41.7	Very low	127 Å²	127	112.9 Å²	112.9	67%	0.665	61%	0.61	S	S	*	*	H	α-helix	trans	-64.3	-38.2	174.7	-76.3	164.8	0	0	0	112.1	T8 G15 A16	T8-L12 PolarHBondContact O-N 3.46Å; L12-G15 PolarHBondContact O-N 2.95Å; L12-A16 WeakPolarHBondContact O-CB 3.43Å; L12-A16 PolarHBondContact O-N 3.05Å
13	L	38.8	Very low	42.4	Very low	99 Å²	99	105.5 Å²	105.5	52%	0.518	58%	0.582	S	S	.	*	H	α-helix	trans	-68	-36.7	175.1	-80.8	158.8	0	0	0	112.5	L9 L10 L11 L17	L9-L13 WeakPolarHBondContact O-CD1 3.33Å; L9-L13 PolarHBondContact O-N 3.05Å; L10-L13 PolarHBondContact O-N 3.33Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 2.91Å
14	S	42.5	Very low	43.1	Very low	64 Å²	64	101 Å²	101	45%	0.448	56%	0.56	S	S	.	*	H	α-helix	trans	-72.5	-32.5	173.9	38.9	0	0	0	0	113.6	L10 L11 A18	L10-S14 PolarHBondContact O-N 3.22Å; L10-S14 PolarHBondContact O-OG 2.97Å; L11-S14 VanDerWaalsContact CA-OG 3.3Å; L11-S14 WeakPolarHBondContact CA-OG 3.1Å; L11-S14 PolarHBondContact O-N 3.22Å; L11-S14 PolarHBondContact O-OG 3.04Å; S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 3.16Å
15	G	43	Very low	44.5	Very low	33 Å²	33	95.2 Å²	95.2	34%	0.34	54%	0.537	S	S	.	.	H	α-helix	trans	-68.7	-41.4	171.6	0	0	0	0	0	112.3	L11 L12 L19	L11-G15 PolarHBondContact O-N 2.98Å; L12-G15 PolarHBondContact O-N 2.95Å; G15-L19 WeakPolarHBondContact O-CB 3.49Å; G15-L19 WeakPolarHBondContact O-CD1 3.44Å; G15-L19 VanDerWaalsContact O-CG 3.32Å; G15-L19 WeakPolarHBondContact O-CG 3.34Å; G15-L19 PolarHBondContact O-N 2.96Å
16	A	40.8	Very low	46.7	Very low	49 Å²	49	95.8 Å²	95.8	41%	0.405	54%	0.537	S	S	.	.	H	α-helix	trans	-68.2	-39.7	175.7	0	0	0	0	0	112.7	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.43Å; L12-A16 PolarHBondContact O-N 3.05Å; A16-L19 PolarHBondContact O-N 2.86Å; A16-T20 WeakPolarHBondContact O-CG2 3.25Å; A16-T20 PolarHBondContact O-N 2.87Å; A16-T20 PolarHBondContact O-OG1 2.9Å
17	L	34.9	Very low	49.1	Very low	113 Å²	113	93.7 Å²	93.7	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-66.8	-39.6	175.7	-81.1	160.8	0	0	0	112.1	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.31Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 2.91Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 3.06Å; L17-T20 WeakPolarHBondContact CA-OG1 3.43Å; L17-T20 PolarHBondContact O-N 3.04Å; L17-T20 PolarHBondContact O-OG1 3.14Å; L17-E21 PolarHBondContact O-N 3.07Å; L17-E21 VanDerWaalsContact O-N 3.08Å
18	A	38.1	Very low	51.4	Low	57 Å²	57	84 Å²	84	47%	0.471	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-32.1	172.7	0	0	0	0	0	112.6	S14 T22	S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.49Å; S14-A18 PolarHBondContact O-N 3.16Å; A18-T22 WeakPolarHBondContact O-CG2 3.38Å; A18-T22 PolarHBondContact O-OG1 2.68Å
19	L	38.5	Very low	53.8	Low	97 Å²	97	79.2 Å²	79.2	51%	0.508	46%	0.458	S	S	.	.	H	α-helix	trans	-75.2	-27.8	174.1	-80.9	159.8	0	0	0	113.3	G15 A16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.49Å; G15-L19 WeakPolarHBondContact O-CD1 3.44Å; G15-L19 VanDerWaalsContact O-CG 3.32Å; G15-L19 WeakPolarHBondContact O-CG 3.34Å; G15-L19 PolarHBondContact O-N 2.96Å; A16-L19 PolarHBondContact O-N 2.86Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 3.06Å; L19-T22 PolarHBondContact O-OG1 2.88Å; L19-T22 VanDerWaalsContact O-OG1 3.08Å
20	T	36.3	Very low	56.4	Low	92 Å²	92	77.3 Å²	77.3	56%	0.564	45%	0.446	S	S	*	.	H	α-helix	trans	-82.9	-27.7	176.3	51.9	0	0	0	0	113.3	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.25Å; A16-T20 PolarHBondContact O-N 2.87Å; A16-T20 PolarHBondContact O-OG1 2.9Å; L17-T20 WeakPolarHBondContact CA-OG1 3.43Å; L17-T20 PolarHBondContact O-N 3.04Å; L17-T20 PolarHBondContact O-OG1 3.14Å; T20-T22 VanDerWaalsContact C-N 3.35Å
21	E	36.6	Very low	59.1	Low	166 Å²	166	72 Å²	72	78%	0.776	42%	0.417	S	S	*	.	H	α-helix	trans	-73	-25.9	175.9	-105.7	-177.6	168	0	0	112.8	L17 W23	L17-E21 PolarHBondContact O-N 3.07Å; L17-E21 VanDerWaalsContact O-N 3.08Å; E21-W23 PolarHBondContact O-N 3.22Å
22	T	41.7	Very low	61.4	Low	103 Å²	103	70 Å²	70	63%	0.632	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.7	179.6	46.8	0	0	0	0	114.5	A18 L19 T20	A18-T22 WeakPolarHBondContact O-CG2 3.38Å; A18-T22 PolarHBondContact O-OG1 2.68Å; L19-T22 PolarHBondContact O-OG1 2.88Å; L19-T22 VanDerWaalsContact O-OG1 3.08Å; T20-T22 VanDerWaalsContact C-N 3.35Å
23	W	50	Low	64	Low	96 Å²	96	64.3 Å²	64.3	36%	0.364	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	8.1	-174.9	-78.7	71.7	0	0	0	113.8	E21 C25 H287 E288 L290	E21-W23 PolarHBondContact O-N 3.22Å; W23-C25 PolarHBondContact O-N 2.94Å; W23-H287 WeakPolarHBondContact CH2-O 3.4Å; W23-H287 VanDerWaalsContact CZ2-O 3.27Å; W23-H287 WeakPolarHBondContact CZ2-O 3.26Å; W23-E288 HydrophobicContact CE3-CG 4.13Å; W23-E288 VanDerWaalsContact CH2-O 3.31Å; W23-E288 WeakPolarHBondContact CH2-O 3.16Å; W23-E288 VanDerWaalsContact CZ3-CA 3.47Å; W23-E288 HydrophobicContact CZ3-CB 4.46Å; W23-E288 HydrophobicContact CZ3-CG 4.25Å; W23-E288 WeakPolarHBondContact CZ3-O 3.42Å; W23-L290 WeakPolarHBondContact CH2-O 3.42Å; W23-L290 WeakPolarHBondContact CZ2-O 3.34Å
24	A	54.1	Low	66.9	Low	46 Å²	46	61.6 Å²	61.6	38%	0.38	36%	0.361	S	S	.	.	S	Bend	trans	-79.4	103.9	173.7	0	0	0	0	0	107.5	S26 P129	A24-S26 PolarHBondContact O-N 3.37Å; A24-P129 HydrophobicContact CB-CB 3.81Å; A24-P129 HydrophobicContact CB-CG 3.14Å
25	C	72	Confident	69.6	Low	59 Å²	59	58.6 Å²	58.6	40%	0.399	34%	0.34	S	S	.	.			trans	-50.8	104	-174.1	-59.8	0	0	0	0	111.1	W23 E288	W23-C25 PolarHBondContact O-N 2.94Å; C25-E288 PolarHBondContact SG-OE1 3.35Å
26	S	90.7	Very high	72.2	Confident	69 Å²	69	58.6 Å²	58.6	48%	0.483	33%	0.333	S	S	.	.			trans	-92.3	145.4	168.6	59.3	0	0	0	0	108.9	A24 L127	A24-S26 PolarHBondContact O-N 3.37Å; S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.07Å; S26-L127 WeakPolarHBondContact CB-O 3.49Å
27	H	95.2	Very high	74.9	Confident	32 Å²	32	57.1 Å²	57.1	15%	0.148	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.4	177.7	-67.4	-74.9	0	0	0	110.5	D53 D126 L127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.33Å; H27-D53 IonicContact CE1-OD2 3.94Å; H27-D53 IonicContact CG-OD2 3.05Å; H27-D53 IonicContact ND1-OD1 3.97Å; H27-D53 IonicContact ND1-OD2 3.91Å; H27-D53 PolarHBondContact ND1-OD2 2.89Å; H27-D126 CarbonylContact O-C 3.55Å; H27-D126 WeakPolarHBondContact O-CA 2.82Å; H27-L127 PolarHBondContact N-O 2.84Å; H27-L127 VanDerWaalsContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 3.05Å; H27-L192 HydrophobicContact CB-CD1 4.42Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.4Å
28	S	97.4	Very high	77.8	Confident	19 Å²	19	55.6 Å²	55.6	13%	0.133	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.5	178	66.9	0	0	0	0	112	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.6Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; S28-D53 PolarHBondContact N-OD1 3.36Å; S28-D53 PolarHBondContact O-N 2.91Å; S28-C125 CarbonylContact C-O 3.55Å; S28-C125 WeakPolarHBondContact CA-O 2.94Å; S28-D126 WeakPolarHBondContact CB-OD1 3.34Å
29	M	98.6	Very high	80.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.8	168.8	-175.3	172.1	62.5	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.23Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.24Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.3Å; M29-G124 CarbonylContact O-C 3.47Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; M29-C125 PolarHBondContact N-O 3.17Å; M29-C125 PolarHBondContact O-N 2.9Å; M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 VanDerWaalsContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-O 3.09Å; M29-C188 WeakPolarHBondContact CE-SG 3.42Å; M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.36Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.34Å; M29-L192 HydrophobicContact SD-CB 4.44Å; M29-Y195 HydrophobicContact SD-CD2 3.68Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30	K	98.6	Very high	82.9	Confident	60 Å²	60	55.2 Å²	55.2	26%	0.261	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.8	-175.5	-65.4	176.3	-175.7	162.7	0	111	F32 G50 Y51 M122	K30-F32 HydrophobicContact CB-CD2 4.49Å; K30-F32 HydrophobicContact CB-CE2 3.65Å; K30-F32 HydrophobicContact CB-CZ 3.96Å; K30-F32 HydrophobicContact CD-CZ 4.31Å; K30-G50 CarbonylContact O-C 3.49Å; K30-G50 WeakPolarHBondContact O-CA 3.47Å; K30-Y51 PolarHBondContact N-O 2.81Å; K30-Y51 PolarHBondContact O-N 2.81Å; K30-M122 HydrophobicContact CD-SD 4.36Å; K30-M122 HydrophobicContact CG-SD 4.34Å
31	Y	98.8	Very high	85.6	Confident	7 Å²	7	61.1 Å²	61.1	3%	0.027	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.4	171.4	-69.2	-91.9	0	0	0	109.5	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.23Å; M29-Y31 HydrophobicContact CG-CE2 4.09Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; Y31-Y33 HydrophobicContact CD1-CE1 4.33Å; Y31-V49 CarbonylContact C-O 3.51Å; Y31-V49 WeakPolarHBondContact CA-O 3.26Å; Y31-F57 HydrophobicContact CE1-CZ 4.03Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; Y31-V58 HydrophobicContact CE1-CG2 3.95Å; Y31-M122 WeakPolarHBondContact O-CA 3.27Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.4Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.89Å; Y31-Y123 HydrophobicContact CD2-CE2 3.89Å; Y31-Y123 AromaticContact CD2-CZ 3.81Å; Y31-Y123 HydrophobicContact CG-CE1 4.15Å; Y31-Y123 HydrophobicContact CG-CE2 4.34Å; Y31-Y123 AromaticContact CG-CZ 3.8Å; Y31-Y123 PolarHBondContact N-O 3.35Å; Y31-Y123 PolarHBondContact O-N 3.26Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å
32	F	98.9	Very high	88.2	Confident	82 Å²	82	56 Å²	56	36%	0.36	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.3	178.2	-57.8	-96.8	0	0	0	109.1	K30 A48 V49 Y51 R121 M122	K30-F32 HydrophobicContact CB-CD2 4.49Å; K30-F32 HydrophobicContact CB-CE2 3.65Å; K30-F32 HydrophobicContact CB-CZ 3.96Å; K30-F32 HydrophobicContact CD-CZ 4.31Å; F32-A48 WeakPolarHBondContact O-CA 3.24Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 2.85Å; F32-V49 PolarHBondContact O-N 2.81Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; F32-R121 CarbonylContact C-O 3.54Å; F32-R121 WeakPolarHBondContact CA-O 2.82Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.04Å; F32-M122 HydrophobicContact CE1-CG 3.3Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 3.88Å
33	Y	98.8	Very high	90.7	Very high	8 Å²	8	55.8 Å²	55.8	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.3	177.6	-58.2	-18.4	0	0	0	109.6	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.33Å; Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CZ 4.17Å; Y33-F46 HydrophobicContact CG-CE2 4.22Å; Y33-F46 AromaticContact CG-CZ 3.9Å; Y33-F46 HydrophobicContact CG-CZ 3.9Å; Y33-I47 WeakPolarHBondContact CA-O 3.36Å; Y33-A48 HydrophobicContact CD1-CB 3.26Å; Y33-A48 HydrophobicContact CE1-CB 3.36Å; Y33-A48 HydrophobicContact CG-CB 4.28Å; Y33-Y91 HydrophobicContact CE1-CD1 4.13Å; Y33-Y91 AromaticContact CE1-CE1 3.86Å; Y33-Y91 HydrophobicContact CE1-CE1 3.86Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.47Å; Y33-Q94 HydrophobicContact CD2-CG 3.53Å; Y33-Q94 HydrophobicContact CE2-CB 4.38Å; Y33-Q94 HydrophobicContact CE2-CG 3.69Å; Y33-Q94 HydrophobicContact CG-CG 4.46Å; Y33-Q120 CarbonylContact O-C 3.59Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.43Å; Y33-R121 PolarHBondContact N-O 3.02Å; Y33-R121 PolarHBondContact O-N 2.99Å; Y33-Y123 HydrophobicContact CD2-CE1 4.02Å; Y33-Y123 HydrophobicContact CE1-CE1 4.17Å; Y33-Y123 HydrophobicContact CE2-CD1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.4Å; Y33-Y123 HydrophobicContact CE2-CE1 3.4Å; Y33-Y123 AromaticContact CZ-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CZ 3.93Å; Y33-Y123 PolarHBondContact OH-OH 2.94Å
34	T	98.9	Very high	92.9	Very high	41 Å²	41	52.5 Å²	52.5	25%	0.252	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	123.8	175.8	-59.5	0	0	0	0	109	V36 F46 I47 I118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 4Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; T34-I47 PolarHBondContact N-O 2.8Å; T34-I47 PolarHBondContact O-N 2.86Å; T34-I118 HydrophobicContact CG2-CG2 3.92Å; T34-I119 WeakPolarHBondContact CA-O 3.18Å; T34-Q120 HydrophobicContact CG2-CG 4.21Å
35	A	98.7	Very high	95	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.017	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.8	174.7	0	0	0	0	0	109.8	H45 F46 D98 L102 I118 I119	A35-H45 CarbonylContact C-O 3.59Å; A35-H45 VanDerWaalsContact CA-O 3.28Å; A35-H45 WeakPolarHBondContact CA-O 3.34Å; A35-F46 HydrophobicContact CB-CD2 4.18Å; A35-D98 HydrophobicContact CB-CB 3.58Å; A35-L102 HydrophobicContact CB-CD1 4.07Å; A35-I118 WeakPolarHBondContact O-CA 3.47Å; A35-I119 PolarHBondContact N-O 3.08Å; A35-I119 PolarHBondContact O-N 3.33Å
36	V	98.5	Very high	96.3	Very high	33 Å²	33	48.7 Å²	48.7	20%	0.2	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.9	-178	-175.3	0	0	0	0	109.3	T34 P44 H45 H117 I118	T34-V36 HydrophobicContact CG2-CG2 4Å; V36-P44 CarbonylContact O-C 3.54Å; V36-P44 WeakPolarHBondContact O-CA 3.33Å; V36-P44 WeakPolarHBondContact O-CB 3.17Å; V36-H45 PolarHBondContact N-O 3.38Å; V36-H45 PolarHBondContact O-N 2.93Å; V36-H117 WeakPolarHBondContact CA-O 3.28Å; V36-I118 HydrophobicContact CG1-CG1 4.17Å; V36-I118 HydrophobicContact CG2-CD1 4.41Å; V36-I118 HydrophobicContact CG2-CG1 4.13Å; V36-I118 HydrophobicContact CG2-CG2 4.29Å
37	S	97.8	Very high	96.7	Very high	17 Å²	17	47.5 Å²	47.5	12%	0.119	27%	0.265	C	S	.	.			trans	-68.1	146	172.6	75.5	0	0	0	0	110.6	S116 H117	S37-S116 PolarHBondContact O-OG 3.08Å; S37-H117 PolarHBondContact N-O 3.3Å; S37-H117 PolarHBondContact OG-N 3.48Å; S37-H117 PolarHBondContact OG-O 2.96Å
38	R	96	Very high	96.9	Very high	82 Å²	82	46 Å²	46	31%	0.309	26%	0.257	S	S	.	.			trans	-137.2	75.8	-178.1	-60	173.5	176.7	177.7	-4.8	110.4	G40 R41 H45 D63	R38-G40 PolarHBondContact O-N 2.87Å; R38-R41 HydrophobicContact CB-CB 4.07Å; R38-R41 PolarHBondContact O-N 3.32Å; R38-H45 PolarHBondContact NH2-ND1 3.33Å; R38-D63 IonicContact CZ-OD2 3.66Å; R38-D63 IonicContact NH1-OD1 3.61Å; R38-D63 IonicContact NH1-OD2 3.4Å; R38-D63 PolarHBondContact NH1-OD2 3.16Å; R38-D63 IonicContact NH2-OD2 2.72Å; R38-D63 PolarHBondContact NH2-OD2 3.02Å; R38-D63 VanDerWaalsContact NH2-OD2 3.15Å
39	P	92.6	Very high	96.9	Very high	53 Å²	53	46.3 Å²	46.3	34%	0.344	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	128.2	-177.2	-26.8	34.4	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.36Å; P39-E113 WeakPolarHBondContact CB-O 3.45Å; P39-E113 VanDerWaalsContact CG-O 3.31Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; P39-G115 WeakPolarHBondContact CG-O 3.4Å
40	G	90.8	Very high	96.9	Very high	92 Å²	92	46.3 Å²	46.3	95%	0.948	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	2.6	-178.8	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 2.87Å
41	R	92.6	Very high	96.9	Very high	216 Å²	216	46.8 Å²	46.8	82%	0.815	26%	0.259	S	S	*	.	S	Bend	trans	-123.6	23.1	-179.6	-57.1	-175.2	-178.9	-170.2	0.5	113.7	R38 P39	R38-R41 HydrophobicContact CB-CB 4.07Å; R38-R41 PolarHBondContact O-N 3.32Å; P39-R41 PolarHBondContact O-N 3.36Å
42	G	91.4	Very high	96.9	Very high	60 Å²	60	46.5 Å²	46.5	62%	0.619	26%	0.258	S	S	*	.	S	Bend	trans	100.7	-153.9	177.3	0	0	0	0	0	113.6
43	E	94.1	Very high	96.8	Very high	98 Å²	98	44 Å²	44	46%	0.458	25%	0.248	S	C	.	.	S	Bend	trans	-74.3	159.1	-180	-65.8	-56.8	161.6	0	0	112.4	H45 R99 R103	E43-H45 PolarHBondContact O-N 3.32Å; E43-R99 VanDerWaalsContact CD-NE 3.3Å; E43-R99 IonicContact OE1-CZ 3.74Å; E43-R99 IonicContact OE1-NE 2.75Å; E43-R99 IonicContact OE1-NH2 3.1Å; E43-R99 PolarHBondContact OE1-NH2 2.94Å; E43-R99 VanDerWaalsContact OE2-CD 3.31Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.69Å; E43-R99 IonicContact OE2-NE 3.63Å; E43-R99 PolarHBondContact OE2-NE 3.4Å; E43-R99 IonicContact OE2-NH2 3.61Å; E43-R99 PolarHBondContact OE2-NH2 2.94Å; E43-R103 IonicContact OE2-NH2 3.89Å
44	P	97.1	Very high	96.6	Very high	26 Å²	26	46.6 Å²	46.6	17%	0.169	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-55.6	136.3	171.1	-25.1	35.8	0	0	0	111.4	V36 R99 L102	V36-P44 CarbonylContact O-C 3.54Å; V36-P44 WeakPolarHBondContact O-CA 3.33Å; V36-P44 WeakPolarHBondContact O-CB 3.17Å; P44-R99 HydrophobicContact CG-CB 4.25Å; P44-R99 HydrophobicContact CG-CG 4.13Å; P44-L102 HydrophobicContact CB-CD1 3.55Å; P44-L102 HydrophobicContact CG-CD1 3.69Å
45	H	98.4	Very high	96.5	Very high	22 Å²	22	46 Å²	46	10%	0.102	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.6	173.7	175.3	-147.9	0	0	0	109.9	A35 V36 R38 E43 I47 D61 S62 D63	A35-H45 CarbonylContact C-O 3.59Å; A35-H45 VanDerWaalsContact CA-O 3.28Å; A35-H45 WeakPolarHBondContact CA-O 3.34Å; V36-H45 PolarHBondContact N-O 3.38Å; V36-H45 PolarHBondContact O-N 2.93Å; R38-H45 PolarHBondContact NH2-ND1 3.33Å; E43-H45 PolarHBondContact O-N 3.32Å; H45-I47 VanDerWaalsContact CE1-CD1 3.44Å; H45-I47 WeakPolarHBondContact CE1-CD1 3.33Å; H45-I47 VanDerWaalsContact CE1-CG1 3.49Å; H45-I47 WeakPolarHBondContact CE1-CG1 3.41Å; H45-D61 IonicContact CD2-OD1 2.64Å; H45-D61 IonicContact CE1-OD1 2.62Å; H45-D61 IonicContact NE2-OD1 3.27Å; H45-D61 PolarHBondContact NE2-OD1 2.85Å; H45-D61 IonicContact NE2-OD2 3.65Å; H45-S62 PolarHBondContact CD2-OG 2.81Å; H45-D63 IonicContact CD2-OD1 2.6Å; H45-D63 PolarHBondContact CD2-OD1 2.96Å; H45-D63 IonicContact CD2-OD2 3.47Å; H45-D63 PolarHBondContact CD2-OD2 3.18Å; H45-D63 VanDerWaalsContact CD2-OD2 3.31Å; H45-D63 IonicContact CE1-OD2 2.8Å; H45-D63 IonicContact CG-OD1 3.52Å; H45-D63 IonicContact CG-OD2 3.86Å; H45-D63 IonicContact ND1-OD2 3.86Å; H45-D63 IonicContact NE2-OD2 3.81Å
46	F	98.8	Very high	96.4	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.013	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.1	-179	178.7	-94.7	0	0	0	110.1	Y33 T34 A35 A48 F60 S62 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.23Å; Y33-F46 HydrophobicContact CD2-CZ 4.17Å; Y33-F46 HydrophobicContact CG-CE2 4.22Å; Y33-F46 AromaticContact CG-CZ 3.9Å; Y33-F46 HydrophobicContact CG-CZ 3.9Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; A35-F46 HydrophobicContact CB-CD2 4.18Å; F46-A48 HydrophobicContact CE1-CB 3.77Å; F46-A48 HydrophobicContact CZ-CB 4Å; F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.96Å; F46-F60 HydrophobicContact CE1-CD1 3.96Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; F46-S62 PolarHBondContact N-OG 3.02Å; F46-S62 PolarHBondContact O-N 3.44Å; F46-S62 PolarHBondContact O-OG 2.85Å; F46-Q94 HydrophobicContact CE2-CB 4.37Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.96Å; F46-Q94 HydrophobicContact CZ-CG 3.65Å; F46-A95 HydrophobicContact CB-CB 3.74Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.13Å; F46-A95 HydrophobicContact CE1-CB 4.36Å; F46-A95 HydrophobicContact CG-CB 3.59Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.31Å
47	I	98.8	Very high	96.4	Very high	45 Å²	45	46.8 Å²	46.8	23%	0.231	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.1	172.9	-54.6	176.2	0	0	0	107.9	Y33 T34 H45 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.36Å; T34-I47 PolarHBondContact N-O 2.8Å; T34-I47 PolarHBondContact O-N 2.86Å; H45-I47 VanDerWaalsContact CE1-CD1 3.44Å; H45-I47 WeakPolarHBondContact CE1-CD1 3.33Å; H45-I47 VanDerWaalsContact CE1-CG1 3.49Å; H45-I47 WeakPolarHBondContact CE1-CG1 3.41Å; I47-V49 HydrophobicContact CG2-CG1 4.36Å; I47-F60 WeakPolarHBondContact CA-O 3.43Å
48	A	98.8	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.5	170.2	0	0	0	0	0	110.1	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.24Å; Y33-A48 HydrophobicContact CD1-CB 3.26Å; Y33-A48 HydrophobicContact CE1-CB 3.36Å; Y33-A48 HydrophobicContact CG-CB 4.28Å; F46-A48 HydrophobicContact CE1-CB 3.77Å; F46-A48 HydrophobicContact CZ-CB 4Å; A48-R59 CarbonylContact O-C 3.59Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.47Å; A48-F60 HydrophobicContact CB-CB 4.21Å; A48-F60 PolarHBondContact N-O 2.69Å; A48-F60 PolarHBondContact O-N 2.79Å; A48-Y91 HydrophobicContact CB-CD1 3.61Å; A48-Y91 HydrophobicContact CB-CE1 3.71Å; A48-Y91 HydrophobicContact CB-CG 4.43Å
49	V	98.9	Very high	96.6	Very high	25 Å²	25	45.8 Å²	45.8	15%	0.152	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146.2	173.1	-62.7	0	0	0	0	109.9	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.51Å; Y31-V49 WeakPolarHBondContact CA-O 3.26Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.36Å; F32-V49 PolarHBondContact N-O 2.85Å; F32-V49 PolarHBondContact O-N 2.81Å; I47-V49 HydrophobicContact CG2-CG1 4.36Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; V49-R59 HydrophobicContact CG1-CG 4.25Å
50	G	98.7	Very high	96.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.4	177.1	0	0	0	0	0	110.7	K30 Q56 F57 V58	K30-G50 CarbonylContact O-C 3.49Å; K30-G50 WeakPolarHBondContact O-CA 3.47Å; G50-Q56 WeakPolarHBondContact O-CA 3.45Å; G50-F57 WeakPolarHBondContact O-CD1 3.29Å; G50-F57 PolarHBondContact O-N 3.3Å; G50-V58 PolarHBondContact N-O 2.91Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.95Å
51	Y	98.6	Very high	97.2	Very high	71 Å²	71	40.4 Å²	40.4	28%	0.278	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.9	179.4	-74.8	-102.4	0	0	0	110.3	M29 K30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.24Å; K30-Y51 PolarHBondContact N-O 2.81Å; K30-Y51 PolarHBondContact O-N 2.81Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.39Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CG 4.38Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.19Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.49Å
52	V	98.2	Very high	97.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.4	155.7	177.5	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.6Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.42Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; V52-D54 PolarHBondContact O-N 2.89Å; V52-T55 PolarHBondContact N-O 3.14Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 2.91Å; V52-F57 HydrophobicContact CG2-CD1 4.03Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.46Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.12Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å
53	D	95.6	Very high	97.8	Very high	29 Å²	29	33.1 Å²	33.1	16%	0.155	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	-121.8	-167	-53.3	-38.7	0	0	0	110.5	H27 S28	H27-D53 WeakPolarHBondContact CA-OD1 3.33Å; H27-D53 IonicContact CE1-OD2 3.94Å; H27-D53 IonicContact CG-OD2 3.05Å; H27-D53 IonicContact ND1-OD1 3.97Å; H27-D53 IonicContact ND1-OD2 3.91Å; H27-D53 PolarHBondContact ND1-OD2 2.89Å; S28-D53 PolarHBondContact N-OD1 3.36Å; S28-D53 PolarHBondContact O-N 2.91Å
54	D	95.6	Very high	98	Very high	63 Å²	63	30.1 Å²	30.1	34%	0.337	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	7.3	178.9	-60.9	-54.4	0	0	0	113.3	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.89Å; D54-Y233 HydrophobicContact CB-CE2 4.05Å; D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 PolarHBondContact OD2-N 3.28Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.71Å
55	T	96.6	Very high	97.9	Very high	28 Å²	28	34.4 Å²	34.4	17%	0.172	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.8	-177.3	-61.9	0	0	0	0	111.6	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.39Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 3.14Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 2.91Å; T55-F57 PolarHBondContact O-N 3.35Å; T55-A73 HydrophobicContact CG2-CB 4.44Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; T55-Y233 PolarHBondContact OG1-OH 3.14Å
56	Q	97.6	Very high	97.8	Very high	52 Å²	52	37.2 Å²	37.2	24%	0.243	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128.5	173.1	-166.2	-179.4	-1.4	0	0	110.2	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; G50-Q56 WeakPolarHBondContact O-CA 3.45Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CG 4.38Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.19Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.49Å; Q56-V58 PolarHBondContact NE2-O 2.89Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.6Å
57	F	98.2	Very high	97.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-22.3	-179.9	76.1	-82.5	0	0	0	114.2	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.3Å; Y31-F57 HydrophobicContact CE1-CZ 4.03Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.3Å; G50-F57 WeakPolarHBondContact O-CD1 3.29Å; G50-F57 PolarHBondContact O-N 3.3Å; V52-F57 HydrophobicContact CG2-CD1 4.03Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; T55-F57 PolarHBondContact O-N 3.35Å; F57-R72 PolarHBondContact O-N 3.33Å; F57-A73 HydrophobicContact CB-CB 4.1Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.91Å; F57-W75 HydrophobicContact CD1-CH2 4.03Å; F57-W75 AromaticContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CH2 3.77Å; F57-W75 AromaticContact CD2-CZ3 3.99Å; F57-W75 HydrophobicContact CD2-CZ3 3.99Å; F57-W75 AromaticContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.09Å; F57-V76 HydrophobicContact CB-CG1 4.4Å; F57-V76 HydrophobicContact CD2-CB 4.36Å; F57-V76 HydrophobicContact CD2-CG2 4.08Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.33Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.29Å; F57-Y195 AromaticContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CE2-CE2 3.64Å; F57-Y195 AromaticContact CE2-CZ 3.85Å; F57-Y195 HydrophobicContact CZ-CD2 4.34Å; F57-Y195 AromaticContact CZ-CE2 3.8Å; F57-Y195 HydrophobicContact CZ-CE2 3.8Å
58	V	98.4	Very high	97.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	151.9	177.7	-73.3	0	0	0	0	112.6	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 3.95Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; G50-V58 PolarHBondContact N-O 2.91Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.95Å; Q56-V58 PolarHBondContact NE2-O 2.89Å; V58-E70 WeakPolarHBondContact CA-O 3.47Å; V58-W84 HydrophobicContact CG1-CH2 3.92Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.32Å
59	R	98.4	Very high	97.6	Very high	78 Å²	78	44 Å²	44	29%	0.294	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.1	170.2	-178.8	176	170.8	119.8	2.4	110.5	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.59Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.47Å; V49-R59 HydrophobicContact CG1-CG 4.25Å; R59-D61 IonicContact CZ-OD2 3.47Å; R59-D61 IonicContact NH2-OD2 3.47Å; R59-D61 PolarHBondContact NH2-OD2 3.33Å; R59-E70 PolarHBondContact N-O 2.74Å; R59-E70 PolarHBondContact O-N 3.36Å; R59-R72 HydrophobicContact CB-CG 3.93Å
60	F	98.8	Very high	97.6	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.013	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	141.6	164	174.9	-82	0	0	0	109.1	F46 I47 A48 P67 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.74Å; F46-F60 HydrophobicContact CD1-CD1 3.74Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.96Å; F46-F60 HydrophobicContact CE1-CD1 3.96Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; I47-F60 WeakPolarHBondContact CA-O 3.43Å; A48-F60 HydrophobicContact CB-CB 4.21Å; A48-F60 PolarHBondContact N-O 2.69Å; A48-F60 PolarHBondContact O-N 2.79Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.7Å; F60-Y91 HydrophobicContact CB-CD1 4.31Å; F60-Y91 HydrophobicContact CB-CD2 3.53Å; F60-Y91 HydrophobicContact CB-CE2 4Å; F60-Y91 HydrophobicContact CB-CG 3.72Å; F60-Y91 HydrophobicContact CD1-CG 4.38Å; F60-Y91 AromaticContact CD2-CD2 3.7Å; F60-Y91 HydrophobicContact CD2-CD2 3.7Å; F60-Y91 AromaticContact CD2-CG 3.97Å; F60-Y91 HydrophobicContact CD2-CG 3.97Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.78Å; F60-Y91 HydrophobicContact CG-CG 3.78Å; F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.03Å
61	D	98.6	Very high	97.6	Very high	29 Å²	29	47.6 Å²	47.6	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	118.8	179.1	-165.4	-36.4	0	0	0	109.2	H45 R59 D63 A64	H45-D61 IonicContact CD2-OD1 2.64Å; H45-D61 IonicContact CE1-OD1 2.62Å; H45-D61 IonicContact NE2-OD1 3.27Å; H45-D61 PolarHBondContact NE2-OD1 2.85Å; H45-D61 IonicContact NE2-OD2 3.65Å; R59-D61 IonicContact CZ-OD2 3.47Å; R59-D61 IonicContact NH2-OD2 3.47Å; R59-D61 PolarHBondContact NH2-OD2 3.33Å; D61-D63 PolarHBondContact O-N 3.11Å; D61-D63 PolarHBondContact OD1-N 3.45Å; D61-A64 HydrophobicContact CB-CB 4.32Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 3.37Å
62	S	98.3	Very high	97.5	Very high	35 Å²	35	50 Å²	50	25%	0.245	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.8	-177.9	71.1	0	0	0	0	113.6	H45 F46 A64 P67	H45-S62 PolarHBondContact CD2-OG 2.81Å; F46-S62 PolarHBondContact N-OG 3.02Å; F46-S62 PolarHBondContact O-N 3.44Å; F46-S62 PolarHBondContact O-OG 2.85Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.29Å
63	D	97.5	Very high	97.4	Very high	88 Å²	88	50.1 Å²	50.1	47%	0.471	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-4	179.7	-72.1	1.7	0	0	0	111.9	R38 H45 D61	R38-D63 IonicContact CZ-OD2 3.66Å; R38-D63 IonicContact NH1-OD1 3.61Å; R38-D63 IonicContact NH1-OD2 3.4Å; R38-D63 PolarHBondContact NH1-OD2 3.16Å; R38-D63 IonicContact NH2-OD2 2.72Å; R38-D63 PolarHBondContact NH2-OD2 3.02Å; R38-D63 VanDerWaalsContact NH2-OD2 3.15Å; H45-D63 IonicContact CD2-OD1 2.6Å; H45-D63 PolarHBondContact CD2-OD1 2.96Å; H45-D63 IonicContact CD2-OD2 3.47Å; H45-D63 PolarHBondContact CD2-OD2 3.18Å; H45-D63 VanDerWaalsContact CD2-OD2 3.31Å; H45-D63 IonicContact CE1-OD2 2.8Å; H45-D63 IonicContact CG-OD1 3.52Å; H45-D63 IonicContact CG-OD2 3.86Å; H45-D63 IonicContact ND1-OD2 3.86Å; H45-D63 IonicContact NE2-OD2 3.81Å; D61-D63 PolarHBondContact O-N 3.11Å; D61-D63 PolarHBondContact OD1-N 3.45Å
64	A	97.4	Very high	97.4	Very high	35 Å²	35	53.7 Å²	53.7	29%	0.289	30%	0.301	S	S	.	.	S	Bend	trans	-61.5	149.6	174.2	0	0	0	0	0	111.2	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.32Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 3.37Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 3.04Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-P67 WeakPolarHBondContact O-CD 3.3Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å
65	A	96.8	Very high	97.4	Very high	117 Å²	117	51.4 Å²	51.4	97%	0.967	29%	0.287	S	S	*	.	S	Bend	trans	-59	-30.5	179.7	0	0	0	0	0	113.2
66	S	96.1	Very high	97.5	Very high	80 Å²	80	50.1 Å²	50.1	56%	0.559	28%	0.279	S	S	*	.	S	Bend	trans	-135.3	88.4	172.1	-173.2	0	0	0	0	109.2	A64 R68	A64-S66 PolarHBondContact O-N 3.04Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 3.43Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	97.1	Very high	97.4	Very high	35 Å²	35	53.5 Å²	53.5	23%	0.227	30%	0.295	C	S	.	.			trans	-64.7	111.5	-175.1	-24.3	35.6	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.7Å; S62-P67 WeakPolarHBondContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CD 3.3Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å; P67-K92 WeakPolarHBondContact O-CE 3.45Å; P67-K92 PolarHBondContact O-NZ 3.42Å
68	R	97.8	Very high	97.2	Very high	150 Å²	150	59.4 Å²	59.4	57%	0.566	32%	0.323	S	S	*	.			trans	-146.4	160.1	177.1	63.5	-176.6	173.3	174.8	-0.3	110.7	S66 E70 T88	S66-R68 PolarHBondContact O-N 3.43Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-E70 HydrophobicContact CG-CG 4.29Å; R68-E70 PolarHBondContact O-N 2.98Å; R68-T88 HydrophobicContact CB-CG2 4.21Å
69	G	97.6	Very high	97.2	Very high	6 Å²	6	60 Å²	60	6%	0.062	33%	0.326	C	S	.	.			trans	-65.1	129.1	168.3	0	0	0	0	0	109.6	T88	G69-T88 PolarHBondContact N-OG1 3.4Å
70	E	97.7	Very high	97	Very high	55 Å²	55	57.6 Å²	57.6	26%	0.257	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.1	-178.3	-64.5	178.5	161	0	0	110.1	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.47Å; R59-E70 PolarHBondContact N-O 2.74Å; R59-E70 PolarHBondContact O-N 3.36Å; R68-E70 HydrophobicContact CG-CG 4.29Å; R68-E70 PolarHBondContact O-N 2.98Å; E70-R72 IonicContact OE2-CZ 3.78Å; E70-R72 IonicContact OE2-NH2 3.61Å; E70-R72 PolarHBondContact OE2-NH2 3.5Å
71	P	98	Very high	97	Very high	46 Å²	46	61.5 Å²	61.5	30%	0.299	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	144.3	173.3	28.5	-33.7	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.74Å; P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.23Å
72	R	97.4	Very high	96.9	Very high	120 Å²	120	67 Å²	67	45%	0.453	38%	0.375	S	S	.	.			trans	-126.1	-1.5	174.6	-60.6	-63.3	172.4	-171.3	1.3	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.13Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.6Å; F57-R72 PolarHBondContact O-N 3.33Å; R59-R72 HydrophobicContact CB-CG 3.93Å; E70-R72 IonicContact OE2-CZ 3.78Å; E70-R72 IonicContact OE2-NH2 3.61Å; E70-R72 PolarHBondContact OE2-NH2 3.5Å
73	A	96.1	Very high	96.9	Very high	4 Å²	4	65.7 Å²	65.7	3%	0.033	37%	0.365	C	S	.	.	S	Bend	trans	-136.7	143.5	173.3	0	0	0	0	0	110.9	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.44Å; F57-A73 HydrophobicContact CB-CB 4.1Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.97Å; A73-W75 PolarHBondContact O-N 3.04Å; A73-V76 WeakPolarHBondContact O-CG1 3.47Å; A73-V76 PolarHBondContact O-N 2.94Å
74	P	96	Very high	96.9	Very high	104 Å²	104	63.4 Å²	63.4	68%	0.675	35%	0.35	S	S	*	.	H	α-helix	trans	-58.4	-36.9	-177.3	-26.8	34.9	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 2.97Å; P74-E77 WeakPolarHBondContact O-CB 3.31Å; P74-E77 PolarHBondContact O-N 3.4Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75	W	95.9	Very high	96.9	Very high	15 Å²	15	66.9 Å²	66.9	6%	0.057	36%	0.364	C	S	.	.	H	α-helix	trans	-70.6	-13.7	-176.1	53.2	-106.3	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.91Å; F57-W75 HydrophobicContact CD1-CH2 4.03Å; F57-W75 AromaticContact CD2-CH2 3.77Å; F57-W75 HydrophobicContact CD2-CH2 3.77Å; F57-W75 AromaticContact CD2-CZ3 3.99Å; F57-W75 HydrophobicContact CD2-CZ3 3.99Å; F57-W75 AromaticContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.09Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.97Å; A73-W75 PolarHBondContact O-N 3.04Å; W75-Q78 WeakPolarHBondContact O-CG 3.38Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.31Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; W75-N198 HydrophobicContact CB-CB 4.4Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.38Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.11Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å
76	V	97.3	Very high	97	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-93.3	-16.8	172.4	70.9	0	0	0	0	111.9	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.4Å; F57-V76 HydrophobicContact CD2-CB 4.36Å; F57-V76 HydrophobicContact CD2-CG2 4.08Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.33Å; P71-V76 HydrophobicContact CB-CG1 3.74Å; A73-V76 WeakPolarHBondContact O-CG1 3.47Å; A73-V76 PolarHBondContact O-N 2.94Å; P74-V76 PolarHBondContact O-N 2.97Å; V76-Q78 PolarHBondContact O-N 2.95Å; V76-E79 HydrophobicContact CG2-CG 3.94Å; V76-E79 WeakPolarHBondContact O-CB 3.42Å; V76-E79 WeakPolarHBondContact O-CG 2.93Å; V76-E79 PolarHBondContact O-N 3.44Å; V76-Y83 HydrophobicContact CG2-CE1 4.03Å; V76-W84 HydrophobicContact CG1-CH2 4.07Å; V76-W84 HydrophobicContact CG1-CZ2 4.3Å; V76-W84 HydrophobicContact CG2-CH2 3.9Å; V76-W84 HydrophobicContact CG2-CZ2 3.96Å; V76-W84 WeakPolarHBondContact O-CZ2 3.46Å; V76-Y195 HydrophobicContact CG2-CE1 4.47Å
77	E	95.8	Very high	97.1	Very high	123 Å²	123	63.3 Å²	63.3	58%	0.575	31%	0.314	S	S	*	.	H	α-helix	trans	-63.4	-25.3	-179.2	-65	-177.7	-177.8	0	0	112.9	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.94Å; P74-E77 WeakPolarHBondContact O-CB 3.31Å; P74-E77 PolarHBondContact O-N 3.4Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 3.45Å
78	Q	94.9	Very high	97.1	Very high	125 Å²	125	62.2 Å²	62.2	58%	0.584	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-11	175.7	67.5	-179.1	13.1	0	0	114.1	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.38Å; V76-Q78 PolarHBondContact O-N 2.95Å; Q78-N198 VanDerWaalsContact NE2-CB 3.29Å; Q78-N198 PolarHBondContact NE2-ND2 3.29Å; Q78-N198 PolarHBondContact NE2-OD1 3.29Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.17Å
79	E	96.9	Very high	97.2	Very high	12 Å²	12	60.3 Å²	60.3	6%	0.056	30%	0.304	C	S	.	.	S	Bend	trans	-66	137.7	175.4	-65.1	-61.7	162.8	0	0	111	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.94Å; V76-E79 WeakPolarHBondContact O-CB 3.42Å; V76-E79 WeakPolarHBondContact O-CG 2.93Å; V76-E79 PolarHBondContact O-N 3.44Å; E77-E79 PolarHBondContact O-N 3.45Å; E79-Y83 HydrophobicContact CB-CD1 3.46Å; E79-Y83 VanDerWaalsContact CB-CD1 3.46Å; E79-Y83 HydrophobicContact CB-CE1 4.06Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.01Å; E79-Y83 HydrophobicContact CG-CE1 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 PolarHBondContact O-NE1 3.35Å; E79-W84 VanDerWaalsContact O-NE1 3.1Å; E79-R194 IonicContact OE1-CZ 2.72Å; E79-R194 IonicContact OE1-NE 3.6Å; E79-R194 PolarHBondContact OE1-NE 2.81Å; E79-R194 IonicContact OE1-NH2 3.55Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 2.74Å; E79-R194 IonicContact OE2-NE 3.44Å; E79-R194 PolarHBondContact OE2-NE 2.85Å; E79-R194 IonicContact OE2-NH2 3.15Å; E79-R194 PolarHBondContact OE2-NH2 2.85Å; E79-N198 PolarHBondContact OE1-ND2 2.92Å
80	G	96	Very high	97.2	Very high	28 Å²	28	62.9 Å²	62.9	29%	0.289	32%	0.316	S	S	.	.			trans	-69.3	168.7	-174.4	0	0	0	0	0	114.4	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.37Å; G80-Y83 WeakPolarHBondContact O-CB 3.03Å; G80-Y83 PolarHBondContact O-N 2.93Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; G80-W84 PolarHBondContact O-N 3.04Å
81	P	96.9	Very high	97.2	Very high	85 Å²	85	60.3 Å²	60.3	55%	0.552	30%	0.304	S	S	*	.	H	α-helix	trans	-58.2	-33.7	-180	24.2	-33.2	0	0	0	112.9	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.39Å; P81-W84 PolarHBondContact O-N 3.03Å; P81-D85 WeakPolarHBondContact O-CB 3.49Å; P81-D85 PolarHBondContact O-N 3.42Å
82	E	97.6	Very high	97.2	Very high	143 Å²	143	62.2 Å²	62.2	67%	0.668	31%	0.308	S	S	*	.	H	α-helix	trans	-63.2	-34.2	178.8	-59.7	82.4	-177.9	0	0	112.4	G80 R86	G80-E82 PolarHBondContact O-N 3.37Å; E82-R86 VanDerWaalsContact O-CB 3.24Å; E82-R86 WeakPolarHBondContact O-CB 3.39Å; E82-R86 PolarHBondContact O-N 2.95Å
83	Y	97.7	Very high	97.3	Very high	9 Å²	9	64.7 Å²	64.7	4%	0.035	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-52.5	174.1	168.9	-94.9	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.03Å; E79-Y83 HydrophobicContact CB-CD1 3.46Å; E79-Y83 VanDerWaalsContact CB-CD1 3.46Å; E79-Y83 HydrophobicContact CB-CE1 4.06Å; E79-Y83 HydrophobicContact CB-CG 3.76Å; E79-Y83 HydrophobicContact CG-CD1 4.01Å; E79-Y83 HydrophobicContact CG-CE1 4.21Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.03Å; G80-Y83 PolarHBondContact O-N 2.93Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.39Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.28Å; Y83-R86 PolarHBondContact O-N 2.96Å; Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.43Å; Y83-E87 WeakPolarHBondContact O-CG 3.1Å; Y83-E87 PolarHBondContact O-N 3.32Å; Y83-W191 AromaticContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CZ2 4.2Å; Y83-W191 AromaticContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CE2-CE3 4.3Å; Y83-W191 AromaticContact CE2-CH2 3.95Å; Y83-W191 HydrophobicContact CE2-CH2 3.95Å; Y83-W191 AromaticContact CE2-CZ3 3.81Å; Y83-W191 HydrophobicContact CE2-CZ3 3.81Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.33Å; Y83-Y195 PolarHBondContact OH-OH 3.39Å
84	W	98.1	Very high	97.4	Very high	39 Å²	39	65.7 Å²	65.7	15%	0.148	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-37.7	-177.9	-67.2	112.3	0	0	0	113.2	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.92Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.23Å; V76-W84 HydrophobicContact CG1-CH2 4.07Å; V76-W84 HydrophobicContact CG1-CZ2 4.3Å; V76-W84 HydrophobicContact CG2-CH2 3.9Å; V76-W84 HydrophobicContact CG2-CZ2 3.96Å; V76-W84 WeakPolarHBondContact O-CZ2 3.46Å; E79-W84 PolarHBondContact O-NE1 3.35Å; E79-W84 VanDerWaalsContact O-NE1 3.1Å; G80-W84 PolarHBondContact O-N 3.04Å; P81-W84 PolarHBondContact O-N 3.03Å; W84-T88 WeakPolarHBondContact O-CB 3.22Å; W84-T88 PolarHBondContact O-N 3.49Å; W84-T88 PolarHBondContact O-OG1 2.94Å
85	D	98.1	Very high	97.5	Very high	108 Å²	108	61.6 Å²	61.6	58%	0.578	30%	0.296	S	S	*	.	H	α-helix	trans	-64.8	-46.4	174.5	-77.5	-19.5	0	0	0	111	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.49Å; P81-D85 PolarHBondContact O-N 3.42Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.28Å; D85-T88 PolarHBondContact O-N 2.86Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.22Å; D85-Q89 PolarHBondContact O-N 3.36Å
86	R	97.7	Very high	97.6	Very high	107 Å²	107	65.9 Å²	65.9	40%	0.404	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-49	178.1	-173.1	-175.1	69.1	-156.2	-2.9	111.7	E82 Y83 T88 Q89 N90	E82-R86 VanDerWaalsContact O-CB 3.24Å; E82-R86 WeakPolarHBondContact O-CB 3.39Å; E82-R86 PolarHBondContact O-N 2.95Å; Y83-R86 PolarHBondContact O-N 2.96Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 3.28Å; R86-Q89 PolarHBondContact O-N 2.92Å; R86-N90 VanDerWaalsContact O-CG 3.26Å; R86-N90 PolarHBondContact O-N 3.46Å; R86-N90 PolarHBondContact O-ND2 2.89Å
87	E	97.7	Very high	97.6	Very high	15 Å²	15	68.7 Å²	68.7	7%	0.07	33%	0.334	C	S	.	.	H	α-helix	trans	-63.1	-41.7	179.1	-65	-42.6	121.7	0	0	111.2	Y83 Q89 N90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.39Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 4.02Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.43Å; Y83-E87 WeakPolarHBondContact O-CG 3.1Å; Y83-E87 PolarHBondContact O-N 3.32Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.29Å; E87-N90 WeakPolarHBondContact O-CB 3.41Å; E87-N90 PolarHBondContact O-N 3.47Å; E87-N90 VanDerWaalsContact O-N 3.15Å; E87-Y91 HydrophobicContact CB-CE2 3.97Å; E87-Y91 WeakPolarHBondContact O-CD2 3.38Å; E87-Y91 PolarHBondContact O-N 3.34Å
88	T	98.5	Very high	97.7	Very high	12 Å²	12	63 Å²	63	7%	0.074	31%	0.307	C	S	.	.	H	α-helix	trans	-58.5	-43.3	174.6	-64.6	0	0	0	0	112.1	R68 G69 W84 D85 R86 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.21Å; G69-T88 PolarHBondContact N-OG1 3.4Å; W84-T88 WeakPolarHBondContact O-CB 3.22Å; W84-T88 PolarHBondContact O-N 3.49Å; W84-T88 PolarHBondContact O-OG1 2.94Å; D85-T88 PolarHBondContact O-N 2.86Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 3.28Å; T88-Y91 PolarHBondContact O-N 2.91Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.33Å; T88-K92 PolarHBondContact O-N 3.33Å
89	Q	98.3	Very high	97.8	Very high	111 Å²	111	60 Å²	60	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-67.5	-37.3	176.8	-68.4	-61	-22.6	0	0	112.2	D85 R86 E87 K92 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.22Å; D85-Q89 PolarHBondContact O-N 3.36Å; R86-Q89 PolarHBondContact O-N 2.92Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.29Å; Q89-K92 PolarHBondContact O-N 3.06Å; Q89-R93 WeakPolarHBondContact O-CB 3.43Å; Q89-R93 PolarHBondContact O-N 3.19Å
90	N	97.8	Very high	97.8	Very high	59 Å²	59	62.4 Å²	62.4	32%	0.316	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-48.5	174.7	-70.3	-19.6	0	0	0	111.1	R86 E87 K92 R93 Q94	R86-N90 VanDerWaalsContact O-CG 3.26Å; R86-N90 PolarHBondContact O-N 3.46Å; R86-N90 PolarHBondContact O-ND2 2.89Å; E87-N90 WeakPolarHBondContact O-CB 3.41Å; E87-N90 PolarHBondContact O-N 3.47Å; E87-N90 VanDerWaalsContact O-N 3.15Å; N90-K92 PolarHBondContact O-N 2.91Å; N90-R93 PolarHBondContact O-N 3.39Å; N90-Q94 WeakPolarHBondContact O-CB 3.45Å; N90-Q94 PolarHBondContact O-N 2.95Å
91	Y	98.5	Very high	97.9	Very high	1 Å²	1	63 Å²	63	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-43.7	176.6	-61.8	-47.8	0	0	0	112.4	Y33 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.13Å; Y33-Y91 AromaticContact CE1-CE1 3.86Å; Y33-Y91 HydrophobicContact CE1-CE1 3.86Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.47Å; A48-Y91 HydrophobicContact CB-CD1 3.61Å; A48-Y91 HydrophobicContact CB-CE1 3.71Å; A48-Y91 HydrophobicContact CB-CG 4.43Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.32Å; F60-Y91 HydrophobicContact CB-CD1 4.31Å; F60-Y91 HydrophobicContact CB-CD2 3.53Å; F60-Y91 HydrophobicContact CB-CE2 4Å; F60-Y91 HydrophobicContact CB-CG 3.72Å; F60-Y91 HydrophobicContact CD1-CG 4.38Å; F60-Y91 AromaticContact CD2-CD2 3.7Å; F60-Y91 HydrophobicContact CD2-CD2 3.7Å; F60-Y91 AromaticContact CD2-CG 3.97Å; F60-Y91 HydrophobicContact CD2-CG 3.97Å; F60-Y91 AromaticContact CG-CD2 3.79Å; F60-Y91 HydrophobicContact CG-CD2 3.79Å; F60-Y91 AromaticContact CG-CG 3.78Å; F60-Y91 HydrophobicContact CG-CG 3.78Å; E87-Y91 HydrophobicContact CB-CE2 3.97Å; E87-Y91 WeakPolarHBondContact O-CD2 3.38Å; E87-Y91 PolarHBondContact O-N 3.34Å; T88-Y91 PolarHBondContact O-N 2.91Å; Y91-R93 PolarHBondContact O-N 2.95Å; Y91-Q94 PolarHBondContact O-N 3.45Å; Y91-A95 WeakPolarHBondContact O-CB 3.43Å; Y91-A95 PolarHBondContact O-N 3.3Å
92	K	98.4	Very high	98	Very high	86 Å²	86	59.2 Å²	59.2	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-40.2	177.2	-75	177.7	179.6	175.3	0	112.4	F60 P67 T88 Q89 N90 Q96	F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.03Å; P67-K92 WeakPolarHBondContact O-CE 3.45Å; P67-K92 PolarHBondContact O-NZ 3.42Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.33Å; T88-K92 PolarHBondContact O-N 3.33Å; Q89-K92 PolarHBondContact O-N 3.06Å; N90-K92 PolarHBondContact O-N 2.91Å; K92-Q96 PolarHBondContact O-N 2.03Å
93	R	98.3	Very high	97.9	Very high	172 Å²	172	58.4 Å²	58.4	65%	0.649	27%	0.269	S	S	*	.	H	α-helix	trans	-63.9	-46.1	175.1	-173	-174.8	-58.7	171.9	4.2	110.9	Q89 N90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.43Å; Q89-R93 PolarHBondContact O-N 3.19Å; N90-R93 PolarHBondContact O-N 3.39Å; Y91-R93 PolarHBondContact O-N 2.95Å; R93-A95 PolarHBondContact O-N 2.97Å; R93-Q96 PolarHBondContact O-N 2.8Å; R93-T97 PolarHBondContact O-N 2.82Å; R93-T97 PolarHBondContact O-OG1 2.85Å
94	Q	98.1	Very high	97.9	Very high	26 Å²	26	62.9 Å²	62.9	12%	0.121	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-43.2	178.1	-175.7	64	53.4	0	0	111.8	Y33 F46 N90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.53Å; Y33-Q94 HydrophobicContact CE2-CB 4.38Å; Y33-Q94 HydrophobicContact CE2-CG 3.69Å; Y33-Q94 HydrophobicContact CG-CG 4.46Å; F46-Q94 HydrophobicContact CE2-CB 4.37Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.96Å; F46-Q94 HydrophobicContact CZ-CG 3.65Å; N90-Q94 WeakPolarHBondContact O-CB 3.45Å; N90-Q94 PolarHBondContact O-N 2.95Å; Y91-Q94 PolarHBondContact O-N 3.45Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.27Å; Q94-T97 CarbonylContact O-C 3.53Å; Q94-T97 WeakPolarHBondContact O-CA 3.47Å; Q94-T97 WeakPolarHBondContact O-CB 3.31Å; Q94-T97 PolarHBondContact O-N 2.97Å; Q94-D98 PolarHBondContact NE2-OD1 2.94Å; Q94-D98 PolarHBondContact NE2-OD2 2.89Å; Q94-D98 PolarHBondContact O-N 3.35Å
95	A	98.3	Very high	97.8	Very high	18 Å²	18	61.6 Å²	61.6	15%	0.149	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-40.5	175.5	0	0	0	0	0	112.5	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.74Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.13Å; F46-A95 HydrophobicContact CE1-CB 4.36Å; F46-A95 HydrophobicContact CG-CB 3.59Å; Y91-A95 WeakPolarHBondContact O-CB 3.43Å; Y91-A95 PolarHBondContact O-N 3.3Å; R93-A95 PolarHBondContact O-N 2.97Å; A95-R99 WeakPolarHBondContact O-CB 3.4Å; A95-R99 PolarHBondContact O-N 2.84Å
96	Q	98	Very high	97.8	Very high	104 Å²	104	59.4 Å²	59.4	49%	0.486	27%	0.268	S	S	.	.	H	α-helix	trans	-69.1	-39.5	174.5	-66.1	-55.3	-42.4	0	0	112.4	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 2.03Å; R93-Q96 PolarHBondContact O-N 2.8Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.27Å; Q96-R99 WeakPolarHBondContact O-CB 3.49Å; Q96-R99 PolarHBondContact O-N 2.89Å; Q96-V100 WeakPolarHBondContact O-CG2 3.37Å; Q96-V100 PolarHBondContact O-N 3.35Å; Q96-V100 VanDerWaalsContact O-N 3.15Å
97	T	97.9	Very high	97.7	Very high	60 Å²	60	56.4 Å²	56.4	37%	0.368	27%	0.27	S	S	.	.	H	α-helix	trans	-59.3	-47.8	173.8	-65.3	0	0	0	0	111	R93 Q94 R99 V100 N101	R93-T97 PolarHBondContact O-N 2.82Å; R93-T97 PolarHBondContact O-OG1 2.85Å; Q94-T97 CarbonylContact O-C 3.53Å; Q94-T97 WeakPolarHBondContact O-CA 3.47Å; Q94-T97 WeakPolarHBondContact O-CB 3.31Å; Q94-T97 PolarHBondContact O-N 2.97Å; T97-R99 PolarHBondContact O-N 2.91Å; T97-V100 PolarHBondContact O-N 2.88Å; T97-V100 VanDerWaalsContact O-N 3.12Å; T97-N101 WeakPolarHBondContact CG2-ND2 3.39Å; T97-N101 VanDerWaalsContact O-CG 3.23Å; T97-N101 PolarHBondContact O-N 2.91Å; T97-N101 PolarHBondContact O-ND2 3.48Å
98	D	97.9	Very high	97.7	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.011	28%	0.277	C	S	.	.	H	α-helix	trans	-70.3	-33	-178.1	-69.9	-26.1	0	0	0	112.7	A35 F46 Q94 V100 N101 L102	A35-D98 HydrophobicContact CB-CB 3.58Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.31Å; Q94-D98 PolarHBondContact NE2-OD1 2.94Å; Q94-D98 PolarHBondContact NE2-OD2 2.89Å; Q94-D98 PolarHBondContact O-N 3.35Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.41Å; D98-N101 PolarHBondContact O-N 2.99Å; D98-L102 WeakPolarHBondContact O-CB 3.44Å; D98-L102 WeakPolarHBondContact O-CG 3.35Å; D98-L102 PolarHBondContact O-N 2.91Å
99	R	97.5	Very high	97.7	Very high	64 Å²	64	60.8 Å²	60.8	24%	0.242	29%	0.286	C	S	.	.	H	α-helix	trans	-56.5	-44.6	168.2	175.4	-169.7	-178.4	-162.8	3.2	112.1	E43 P44 A95 Q96 T97 R103	E43-R99 VanDerWaalsContact CD-NE 3.3Å; E43-R99 IonicContact OE1-CZ 3.74Å; E43-R99 IonicContact OE1-NE 2.75Å; E43-R99 IonicContact OE1-NH2 3.1Å; E43-R99 PolarHBondContact OE1-NH2 2.94Å; E43-R99 VanDerWaalsContact OE2-CD 3.31Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.69Å; E43-R99 IonicContact OE2-NE 3.63Å; E43-R99 PolarHBondContact OE2-NE 3.4Å; E43-R99 IonicContact OE2-NH2 3.61Å; E43-R99 PolarHBondContact OE2-NH2 2.94Å; P44-R99 HydrophobicContact CG-CB 4.25Å; P44-R99 HydrophobicContact CG-CG 4.13Å; A95-R99 WeakPolarHBondContact O-CB 3.4Å; A95-R99 PolarHBondContact O-N 2.84Å; Q96-R99 WeakPolarHBondContact O-CB 3.49Å; Q96-R99 PolarHBondContact O-N 2.89Å; T97-R99 PolarHBondContact O-N 2.91Å; R99-R103 VanDerWaalsContact NH2-NH2 3.13Å
100	V	97.6	Very high	97.6	Very high	62 Å²	62	62.8 Å²	62.8	38%	0.376	30%	0.3	S	S	.	.	H	α-helix	trans	-69.7	-40.9	176.7	173.4	0	0	0	0	110.7	Q96 T97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.37Å; Q96-V100 PolarHBondContact O-N 3.35Å; Q96-V100 VanDerWaalsContact O-N 3.15Å; T97-V100 PolarHBondContact O-N 2.88Å; T97-V100 VanDerWaalsContact O-N 3.12Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 3.41Å; V100-R103 PolarHBondContact O-N 3.38Å; V100-K104 HydrophobicContact CG1-CD 4.24Å; V100-K104 PolarHBondContact O-N 3.16Å; V100-K104 VanDerWaalsContact O-N 3.11Å
101	N	97.8	Very high	97.6	Very high	39 Å²	39	62.8 Å²	62.8	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-41.1	179.4	-68.5	-21.8	0	0	0	111.8	T97 D98 R103 K104 L105 I119	T97-N101 WeakPolarHBondContact CG2-ND2 3.39Å; T97-N101 VanDerWaalsContact O-CG 3.23Å; T97-N101 PolarHBondContact O-N 2.91Å; T97-N101 PolarHBondContact O-ND2 3.48Å; D98-N101 PolarHBondContact O-N 2.99Å; N101-R103 VanDerWaalsContact C-N 3.26Å; N101-R103 PolarHBondContact O-N 3.31Å; N101-K104 PolarHBondContact O-N 3.27Å; N101-L105 WeakPolarHBondContact O-CB 3.48Å; N101-L105 WeakPolarHBondContact O-CG 3.32Å; N101-L105 PolarHBondContact O-N 3.09Å; N101-I119 HydrophobicContact CB-CD1 3.56Å
102	L	97.9	Very high	97.4	Very high	7 Å²	7	66.4 Å²	66.4	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-55.8	-41.1	175.8	-80.6	163.3	0	0	0	111.8	A35 P44 D98 R106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.07Å; P44-L102 HydrophobicContact CB-CD1 3.55Å; P44-L102 HydrophobicContact CG-CD1 3.69Å; D98-L102 WeakPolarHBondContact O-CB 3.44Å; D98-L102 WeakPolarHBondContact O-CG 3.35Å; D98-L102 PolarHBondContact O-N 2.91Å; L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 2.91Å; L102-R106 VanDerWaalsContact O-N 3.15Å; L102-H117 HydrophobicContact CD2-CB 4.05Å; L102-I119 HydrophobicContact CB-CD1 4.36Å; L102-I119 HydrophobicContact CD2-CD1 3.94Å; L102-I119 HydrophobicContact CD2-CG1 3.72Å; L102-I119 HydrophobicContact CG-CD1 3.7Å; L102-I119 HydrophobicContact CG-CG1 4.02Å; L102-Y142 HydrophobicContact CD2-CE2 4.29Å
103	R	96	Very high	97.1	Very high	126 Å²	126	68.9 Å²	68.9	48%	0.475	34%	0.336	S	S	.	.	H	α-helix	trans	-68.9	-40.2	176.1	-64.8	177.6	-172.4	147.8	1.1	112.4	E43 R99 V100 N101 G107	E43-R103 IonicContact OE2-NH2 3.89Å; R99-R103 VanDerWaalsContact NH2-NH2 3.13Å; V100-R103 PolarHBondContact O-N 3.38Å; N101-R103 VanDerWaalsContact C-N 3.26Å; N101-R103 PolarHBondContact O-N 3.31Å; R103-G107 PolarHBondContact O-N 2.93Å
104	K	96.9	Very high	96.8	Very high	103 Å²	103	64.9 Å²	64.9	45%	0.448	34%	0.34	S	S	.	.	H	α-helix	trans	-66.1	-48.6	178.5	-73.7	176.8	179.6	169.3	0	111.7	V100 N101 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.24Å; V100-K104 PolarHBondContact O-N 3.16Å; V100-K104 VanDerWaalsContact O-N 3.11Å; N101-K104 PolarHBondContact O-N 3.27Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.31Å; K104-G107 PolarHBondContact O-N 3.26Å; K104-G107 VanDerWaalsContact O-N 3.07Å; K104-Y108 WeakPolarHBondContact O-CD1 3.43Å; K104-Y108 PolarHBondContact O-N 2.99Å
105	L	97.8	Very high	96.6	Very high	11 Å²	11	64.6 Å²	64.6	6%	0.058	34%	0.344	C	S	.	.	H	α-helix	trans	-61.6	-45.6	-179.6	-68.1	179.1	0	0	0	111.1	N101 G107 Y108 Y109 I119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.48Å; N101-L105 WeakPolarHBondContact O-CG 3.32Å; N101-L105 PolarHBondContact O-N 3.09Å; L105-G107 PolarHBondContact O-N 3.23Å; L105-G107 VanDerWaalsContact O-N 3.17Å; L105-Y108 HydrophobicContact CD2-CD2 4.17Å; L105-Y108 PolarHBondContact O-N 3.34Å; L105-Y109 HydrophobicContact CD2-CE2 4.45Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.47Å; L105-Y109 PolarHBondContact O-N 2.93Å; L105-I119 HydrophobicContact CD1-CD1 3.46Å; L105-I119 VanDerWaalsContact CD1-CD1 3.46Å; L105-I119 HydrophobicContact CD1-CG1 3.62Å; L105-I119 HydrophobicContact CG-CD1 4.48Å; L105-Y142 HydrophobicContact CB-CD1 4.36Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 3.99Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD1 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.44Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.44Å; L105-Y142 HydrophobicContact CD1-CE2 3.84Å; L105-Y142 HydrophobicContact CD1-CG 3.78Å; L105-Y142 HydrophobicContact CG-CD2 4.45Å; L105-Y147 HydrophobicContact CD2-CD2 4.29Å; L105-Y147 HydrophobicContact CD2-CE1 3.86Å; L105-Y147 HydrophobicContact CD2-CE2 3.51Å; L105-Y147 VanDerWaalsContact CD2-OH 3.25Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.33Å
106	R	96.5	Very high	96.6	Very high	62 Å²	62	67.3 Å²	67.3	23%	0.234	36%	0.362	C	S	.	.	H	α-helix	trans	-51.9	-41.5	172.6	-171.9	-172.9	66.8	-177.6	8.7	112.2	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.31Å; L102-R106 WeakPolarHBondContact O-CB 3.4Å; L102-R106 PolarHBondContact O-N 2.91Å; L102-R106 VanDerWaalsContact O-N 3.15Å; R106-N110 PolarHBondContact O-N 3.44Å; R106-N110 VanDerWaalsContact O-N 3.13Å; R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 WeakPolarHBondContact CG-O 3.31Å; R106-Q111 PolarHBondContact O-N 3.06Å; R106-E113 IonicContact CZ-OE1 3.54Å; R106-E113 IonicContact NH1-OE1 2.9Å; R106-E113 IonicContact NH2-OE1 2.7Å; R106-E113 PolarHBondContact NH2-OE1 3.22Å
107	G	96.5	Very high	96.6	Very high	44 Å²	44	63.1 Å²	63.1	45%	0.454	34%	0.342	S	S	.	.	H	α-helix	trans	-66.9	-44.4	174.6	0	0	0	0	0	113.5	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.93Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 WeakPolarHBondContact O-CA 3.31Å; K104-G107 PolarHBondContact O-N 3.26Å; K104-G107 VanDerWaalsContact O-N 3.07Å; L105-G107 PolarHBondContact O-N 3.23Å; L105-G107 VanDerWaalsContact O-N 3.17Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.91Å; G107-N110 PolarHBondContact O-N 2.75Å; G107-N110 PolarHBondContact O-OD1 3.16Å
108	Y	97.8	Very high	96.6	Very high	55 Å²	55	63 Å²	63	22%	0.216	34%	0.339	C	S	.	.	H	α-helix	trans	-61.7	-36.2	178.2	-65.8	-8.6	0	0	0	112.6	K104 L105 I166 K170	K104-Y108 WeakPolarHBondContact O-CD1 3.43Å; K104-Y108 PolarHBondContact O-N 2.99Å; L105-Y108 HydrophobicContact CD2-CD2 4.17Å; L105-Y108 PolarHBondContact O-N 3.34Å; Y108-I166 HydrophobicContact CD1-CD1 4.27Å; Y108-I166 HydrophobicContact CD2-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CG2 4.19Å; Y108-I166 HydrophobicContact CE2-CB 4.13Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.25Å; Y108-K170 PolarHBondContact OH-NZ 2.87Å
109	Y	97.8	Very high	96.6	Very high	65 Å²	65	63.2 Å²	63.2	26%	0.255	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	4.3	178.9	-69.1	-73	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.45Å; L105-Y109 VanDerWaalsContact O-CD2 3.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.47Å; L105-Y109 PolarHBondContact O-N 2.93Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 2.91Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Y109-Y142 AromaticContact CD2-CD1 3.67Å; Y109-Y142 HydrophobicContact CD2-CD1 3.67Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.45Å; Y109-Y142 HydrophobicContact CE2-CD1 3.45Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.45Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.33Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CE2 2.95Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.48Å; Y109-D161 PolarHBondContact OH-OD2 3.19Å; Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.65Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	96.7	Very high	96.7	Very high	152 Å²	152	64 Å²	64	81%	0.813	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	39.1	-177.9	-57.2	-57.6	0	0	0	113.6	R106 G107	R106-N110 PolarHBondContact O-N 3.44Å; R106-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-N 2.75Å; G107-N110 PolarHBondContact O-OD1 3.16Å
111	Q	97	Very high	96.7	Very high	60 Å²	60	62.7 Å²	62.7	28%	0.28	33%	0.334	S	S	.	.			trans	-87.5	155.3	-177	-70.6	165.2	-33.8	0	0	112	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.76Å; R106-Q111 WeakPolarHBondContact CG-O 3.31Å; R106-Q111 PolarHBondContact O-N 3.06Å; Y109-Q111 PolarHBondContact O-N 2.94Å; Q111-H117 PolarHBondContact NE2-CE1 3.43Å; Q111-H117 PolarHBondContact OE1-CE1 2.7Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.25Å; Q111-Y142 PolarHBondContact OE1-OH 2.94Å; Q111-D143 PolarHBondContact NE2-OD2 2.89Å
112	S	94.9	Very high	96.8	Very high	77 Å²	77	62 Å²	62	54%	0.538	33%	0.33	S	S	.	.			trans	-73.9	153.7	-177.8	77.7	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 3.31Å; S112-G115 PolarHBondContact O-N 2.99Å
113	E	91.6	Very high	96.8	Very high	138 Å²	138	62.8 Å²	62.8	65%	0.645	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-18.1	177.8	-56.2	-153.3	125.6	0	0	114	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.45Å; P39-E113 VanDerWaalsContact CG-O 3.31Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; R106-E113 IonicContact CZ-OE1 3.54Å; R106-E113 IonicContact NH1-OE1 2.9Å; R106-E113 IonicContact NH2-OE1 2.7Å; R106-E113 PolarHBondContact NH2-OE1 3.22Å; E113-G115 VanDerWaalsContact C-N 3.31Å
114	A	92.7	Very high	96.9	Very high	87 Å²	87	56.8 Å²	56.8	72%	0.719	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.2	179.1	0	0	0	0	0	112.9	S112	S112-A114 PolarHBondContact O-N 3.31Å
115	G	93.8	Very high	97	Very high	21 Å²	21	51.9 Å²	51.9	22%	0.216	29%	0.289	C	S	.	.			trans	-73	133.3	179.3	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.4Å; S112-G115 PolarHBondContact O-N 2.99Å; E113-G115 VanDerWaalsContact C-N 3.31Å; G115-H117 PolarHBondContact O-CD2 2.89Å
116	S	97.3	Very high	97	Very high	74 Å²	74	52.7 Å²	52.7	52%	0.517	29%	0.293	S	S	.	.			trans	-81.2	135.2	164.1	-178.8	0	0	0	0	108.9	S37	S37-S116 PolarHBondContact O-OG 3.08Å
117	H	98.3	Very high	97	Very high	16 Å²	16	49.9 Å²	49.9	7%	0.074	28%	0.283	C	S	.	.			trans	-136.1	152.7	-175.1	-64.1	-73.6	0	0	0	110.8	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.28Å; S37-H117 PolarHBondContact N-O 3.3Å; S37-H117 PolarHBondContact OG-N 3.48Å; S37-H117 PolarHBondContact OG-O 2.96Å; L102-H117 HydrophobicContact CD2-CB 4.05Å; Q111-H117 PolarHBondContact NE2-CE1 3.43Å; Q111-H117 PolarHBondContact OE1-CE1 2.7Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.25Å; G115-H117 PolarHBondContact O-CD2 2.89Å; H117-Y142 HydrophobicContact CB-CE2 3.82Å; H117-Y142 WeakPolarHBondContact CB-OH 3.49Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.67Å; H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 2.85Å; H117-D143 IonicContact CG-OD1 3.59Å; H117-D143 IonicContact CG-OD2 2.75Å; H117-D143 IonicContact ND1-OD1 3.8Å; H117-D143 PolarHBondContact ND1-OD1 3.1Å; H117-D143 IonicContact ND1-OD2 3.93Å; H117-D143 PolarHBondContact ND1-OD2 3.44Å
118	I	98.5	Very high	96.9	Very high	59 Å²	59	48.1 Å²	48.1	30%	0.303	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.2	-175.4	-53.5	-179.3	0	0	0	109.7	T34 A35 V36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CG2 3.92Å; A35-I118 WeakPolarHBondContact O-CA 3.47Å; V36-I118 HydrophobicContact CG1-CG1 4.17Å; V36-I118 HydrophobicContact CG2-CD1 4.41Å; V36-I118 HydrophobicContact CG2-CG1 4.13Å; V36-I118 HydrophobicContact CG2-CG2 4.29Å; I118-Q120 HydrophobicContact CG2-CG 3.87Å; I118-Y142 CarbonylContact O-C 3.59Å; I118-Y142 WeakPolarHBondContact O-CA 3.43Å; I118-Y142 WeakPolarHBondContact O-CD2 3.31Å; I118-D143 PolarHBondContact N-OD1 2.64Å; I118-D143 PolarHBondContact O-N 2.83Å
119	I	98.5	Very high	96.4	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.3	162	-64.3	173.9	0	0	0	107.9	T34 A35 N101 L102 L105 F140 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.18Å; A35-I119 PolarHBondContact N-O 3.08Å; A35-I119 PolarHBondContact O-N 3.33Å; N101-I119 HydrophobicContact CB-CD1 3.56Å; L102-I119 HydrophobicContact CB-CD1 4.36Å; L102-I119 HydrophobicContact CD2-CD1 3.94Å; L102-I119 HydrophobicContact CD2-CG1 3.72Å; L102-I119 HydrophobicContact CG-CD1 3.7Å; L102-I119 HydrophobicContact CG-CG1 4.02Å; L105-I119 HydrophobicContact CD1-CD1 3.46Å; L105-I119 VanDerWaalsContact CD1-CD1 3.46Å; L105-I119 HydrophobicContact CD1-CG1 3.62Å; L105-I119 HydrophobicContact CG-CD1 4.48Å; I119-F140 HydrophobicContact CG2-CD1 4.22Å; I119-A141 WeakPolarHBondContact CA-O 3.39Å; I119-Y142 HydrophobicContact CG1-CD2 3.78Å; I119-Y142 HydrophobicContact CG1-CE2 4.21Å
120	Q	98.8	Very high	96	Very high	81 Å²	81	51.5 Å²	51.5	38%	0.379	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.3	170.6	-60.8	172.6	-90.1	0	0	109.2	Y33 T34 I118 F140 A141	Y33-Q120 CarbonylContact O-C 3.59Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.43Å; T34-Q120 HydrophobicContact CG2-CG 4.21Å; I118-Q120 HydrophobicContact CG2-CG 3.87Å; Q120-F140 CarbonylContact O-C 3.54Å; Q120-F140 VanDerWaalsContact O-CA 3.24Å; Q120-F140 WeakPolarHBondContact O-CA 3.46Å; Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 2.84Å; Q120-A141 PolarHBondContact O-N 3.33Å
121	R	98.6	Very high	95.6	Very high	34 Å²	34	45.2 Å²	45.2	13%	0.128	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.8	172.7	-174.9	-170.3	-174.2	-179.7	-0.3	109.1	F32 Y33 Y123 D138 Q139 F140	F32-R121 CarbonylContact C-O 3.54Å; F32-R121 WeakPolarHBondContact CA-O 2.82Å; Y33-R121 PolarHBondContact N-O 3.02Å; Y33-R121 PolarHBondContact O-N 2.99Å; R121-Y123 HydrophobicContact CG-CD1 4.29Å; R121-D138 IonicContact CZ-OD1 3.96Å; R121-D138 IonicContact NE-OD1 3.18Å; R121-D138 PolarHBondContact NE-OD1 3.45Å; R121-D138 IonicContact NH2-OD1 3.13Å; R121-D138 PolarHBondContact NH2-OD1 2.99Å; R121-D138 IonicContact NH2-OD2 3.91Å; R121-Q139 CarbonylContact C-O 3.44Å; R121-Q139 VanDerWaalsContact CA-O 3.3Å; R121-Q139 WeakPolarHBondContact CA-O 3.47Å; R121-F140 HydrophobicContact CB-CD1 3.88Å; R121-F140 HydrophobicContact CB-CE1 3.78Å; R121-F140 HydrophobicContact CB-CG 4.43Å; R121-F140 HydrophobicContact CB-CZ 4.23Å; R121-F140 HydrophobicContact CG-CD1 4Å; R121-F140 HydrophobicContact CG-CD2 4.18Å; R121-F140 HydrophobicContact CG-CE1 3.64Å; R121-F140 HydrophobicContact CG-CE2 3.8Å; R121-F140 HydrophobicContact CG-CG 4.28Å; R121-F140 HydrophobicContact CG-CZ 3.55Å; R121-F140 VanDerWaalsContact NE-CZ 3.27Å
122	M	98.7	Very high	95.4	Very high	25 Å²	25	50.6 Å²	50.6	12%	0.123	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.4	165.4	-175.1	-77.5	-71.4	0	0	108.3	K30 Y31 F32 H137 D138 Q139	K30-M122 HydrophobicContact CD-SD 4.36Å; K30-M122 HydrophobicContact CG-SD 4.34Å; Y31-M122 WeakPolarHBondContact O-CA 3.27Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.63Å; F32-M122 HydrophobicContact CE1-CB 4.04Å; F32-M122 HydrophobicContact CE1-CG 3.3Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 3.88Å; M122-H137 HydrophobicContact CE-CB 3.86Å; M122-H137 HydrophobicContact SD-CB 3.98Å; M122-D138 CarbonylContact O-C 3.52Å; M122-D138 WeakPolarHBondContact O-CA 3.36Å; M122-Q139 HydrophobicContact CB-CG 4.01Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 2.92Å; M122-Q139 PolarHBondContact O-N 2.93Å
123	Y	98.6	Very high	95.5	Very high	24 Å²	24	49.4 Å²	49.4	9%	0.094	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.4	172.9	74.9	-81.5	0	0	0	110.7	Y31 Y33 R121 H137 D138 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.4Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.89Å; Y31-Y123 HydrophobicContact CD2-CE2 3.89Å; Y31-Y123 AromaticContact CD2-CZ 3.81Å; Y31-Y123 HydrophobicContact CG-CE1 4.15Å; Y31-Y123 HydrophobicContact CG-CE2 4.34Å; Y31-Y123 AromaticContact CG-CZ 3.8Å; Y31-Y123 PolarHBondContact N-O 3.35Å; Y31-Y123 PolarHBondContact O-N 3.26Å; Y31-Y123 VanDerWaalsContact O-N 3.09Å; Y33-Y123 HydrophobicContact CD2-CE1 4.02Å; Y33-Y123 HydrophobicContact CE1-CE1 4.17Å; Y33-Y123 HydrophobicContact CE2-CD1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.4Å; Y33-Y123 HydrophobicContact CE2-CE1 3.4Å; Y33-Y123 AromaticContact CZ-CE1 3.51Å; Y33-Y123 AromaticContact CZ-CZ 3.93Å; Y33-Y123 PolarHBondContact OH-OH 2.94Å; R121-Y123 HydrophobicContact CG-CD1 4.29Å; Y123-H137 CarbonylContact C-O 3.55Å; Y123-H137 WeakPolarHBondContact CA-O 3.34Å; Y123-H137 VanDerWaalsContact CB-O 3.29Å; Y123-H137 WeakPolarHBondContact CB-O 3.37Å; Y123-D138 VanDerWaalsContact CB-OD1 3.31Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.48Å; Y123-Y183 AromaticContact CD2-CE1 3.87Å; Y123-Y183 HydrophobicContact CD2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CE1 3.71Å; Y123-Y183 HydrophobicContact CE2-CE1 3.71Å; Y123-Y183 AromaticContact CE2-CZ 3.93Å
124	G	98.5	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.3	178.9	-171.6	0	0	0	0	0	113.9	M29 H137 L184	M29-G124 CarbonylContact O-C 3.47Å; M29-G124 WeakPolarHBondContact O-CA 3.48Å; G124-H137 PolarHBondContact N-O 3.25Å; G124-H137 PolarHBondContact O-N 3.39Å; G124-L184 WeakPolarHBondContact O-CD2 3.31Å
125	C	98.4	Very high	95.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.4	178.1	52.8	0	0	0	0	110.8	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.55Å; S28-C125 WeakPolarHBondContact CA-O 2.94Å; M29-C125 PolarHBondContact N-O 3.17Å; M29-C125 PolarHBondContact O-N 2.9Å; C125-L133 HydrophobicContact CB-CD1 3.57Å; C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.37Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.09Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.75Å
126	D	97.9	Very high	96.1	Very high	27 Å²	27	48.8 Å²	48.8	14%	0.144	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.2	171.4	-53	-26.6	0	0	0	108.4	H27 S28 L134 R135 H137	H27-D126 CarbonylContact O-C 3.55Å; H27-D126 WeakPolarHBondContact O-CA 2.82Å; S28-D126 WeakPolarHBondContact CB-OD1 3.34Å; D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.94Å; D126-R135 HydrophobicContact CB-CB 4.3Å; D126-R135 PolarHBondContact N-O 3.35Å; D126-R135 PolarHBondContact O-N 3.22Å; D126-H137 VanDerWaalsContact CG-NE2 3.31Å; D126-H137 IonicContact OD1-CD2 3.61Å; D126-H137 IonicContact OD1-NE2 3.46Å; D126-H137 PolarHBondContact OD1-NE2 3.19Å; D126-H137 IonicContact OD2-CD2 3.98Å; D126-H137 IonicContact OD2-CE1 2.63Å; D126-H137 IonicContact OD2-NE2 3.34Å; D126-H137 PolarHBondContact OD2-NE2 2.9Å
127	L	96.8	Very high	96.2	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.2	173	-56.5	-176.9	0	0	0	110.1	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.3Å; S26-L127 WeakPolarHBondContact CA-O 3.07Å; S26-L127 WeakPolarHBondContact CB-O 3.49Å; H27-L127 PolarHBondContact N-O 2.84Å; H27-L127 VanDerWaalsContact N-O 3.16Å; H27-L127 PolarHBondContact O-N 3.05Å; L127-R132 CarbonylContact C-O 3.58Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.25Å; L127-V189 HydrophobicContact CD1-CG1 4.45Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.73Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L127-L192 HydrophobicContact CD1-CB 4.27Å; L127-L192 HydrophobicContact CD1-CD2 3.71Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CD2-CD2 4.5Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.2Å; L127-R193 HydrophobicContact CD1-CG 3.97Å
128	G	93.3	Very high	96.2	Very high	8 Å²	8	45.7 Å²	45.7	8%	0.082	23%	0.226	C	C	.	.			trans	-70.5	174.7	166.1	0	0	0	0	0	111.8	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.61Å; G128-G131 WeakPolarHBondContact O-CA 3.45Å; G128-G131 PolarHBondContact O-N 3.33Å; G128-R132 PolarHBondContact N-O 3.46Å
129	P	88.6	Confident	96.2	Very high	88 Å²	88	46.9 Å²	46.9	57%	0.571	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.2	179.1	-18.2	28.9	0	0	0	113.6	A24 G131	A24-P129 HydrophobicContact CB-CB 3.81Å; A24-P129 HydrophobicContact CB-CG 3.14Å; P129-G131 PolarHBondContact O-N 2.91Å
130	D	88.5	Confident	96.2	Very high	103 Å²	103	47.7 Å²	47.7	55%	0.551	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	3.2	174.1	70	-14	0	0	0	113	G128 R132	G128-D130 PolarHBondContact O-N 2.61Å; D130-R132 PolarHBondContact O-N 3.16Å; D130-R132 WeakPolarHBondContact OD1-CB 3.21Å; D130-R132 PolarHBondContact OD1-N 3.41Å; D130-R132 WeakPolarHBondContact OD2-CD 3.4Å; D130-R132 WeakPolarHBondContact OD2-CG 3.36Å; D130-R132 IonicContact OD2-NE 3.57Å
131	G	88.5	Confident	96.2	Very high	20 Å²	20	44.6 Å²	44.6	21%	0.206	22%	0.223	C	C	.	.	S	Bend	trans	71.6	9.5	-178.4	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.45Å; G128-G131 PolarHBondContact O-N 3.33Å; P129-G131 PolarHBondContact O-N 2.91Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 2.82Å; G131-R193 VanDerWaalsContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 3.2Å
132	R	93.6	Very high	96.2	Very high	173 Å²	173	43.5 Å²	43.5	65%	0.653	22%	0.219	S	C	*	.	S	Bend	trans	-89.2	156.5	178.1	-61.6	-173.4	-177.4	167.1	-2.4	111.1	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.58Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.25Å; G128-R132 PolarHBondContact N-O 3.46Å; D130-R132 PolarHBondContact O-N 3.16Å; D130-R132 WeakPolarHBondContact OD1-CB 3.21Å; D130-R132 PolarHBondContact OD1-N 3.41Å; D130-R132 WeakPolarHBondContact OD2-CD 3.4Å; D130-R132 WeakPolarHBondContact OD2-CG 3.36Å; D130-R132 IonicContact OD2-NE 3.57Å; R132-L134 PolarHBondContact O-N 3.2Å; R132-L134 VanDerWaalsContact O-N 3.1Å
133	L	96.5	Very high	96.2	Very high	52 Å²	52	45.3 Å²	45.3	27%	0.272	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	117.7	174.5	-176.7	72.5	0	0	0	109.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.57Å; L133-R135 WeakPolarHBondContact CD1-O 3.13Å; L133-L154 HydrophobicContact CD2-CD1 4.11Å; L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.07Å
134	L	96.2	Very high	96.1	Very high	123 Å²	123	46.9 Å²	46.9	64%	0.644	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	-46.1	171.1	180	63.3	0	0	0	110	D126 R132	D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.94Å; R132-L134 PolarHBondContact O-N 3.2Å; R132-L134 VanDerWaalsContact O-N 3.1Å
135	R	96.5	Very high	96.1	Very high	104 Å²	104	54.6 Å²	54.6	39%	0.392	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	140.6	-176.9	-174.4	172.6	176.9	135.4	10.9	111.5	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.37Å; D126-R135 HydrophobicContact CB-CB 4.3Å; D126-R135 PolarHBondContact N-O 3.35Å; D126-R135 PolarHBondContact O-N 3.22Å; L133-R135 WeakPolarHBondContact CD1-O 3.13Å; R135-H137 WeakPolarHBondContact CD-CE1 3.32Å; R135-H137 PolarHBondContact NE-CE1 3.06Å; R135-E152 IonicContact CZ-OE1 3.2Å; R135-E152 IonicContact NH1-OE1 2.78Å; R135-E152 PolarHBondContact NH1-OE1 3.08Å; R135-E152 IonicContact NH2-OE1 2.74Å; R135-E152 PolarHBondContact NH2-OE1 3.21Å
136	G	97.9	Very high	96.1	Very high	5 Å²	5	60.7 Å²	60.7	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	148.2	168.2	0	0	0	0	0	110.8
137	H	98.1	Very high	96.1	Very high	22 Å²	22	59.9 Å²	59.9	10%	0.102	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.1	-178	-52.5	-92.4	0	0	0	110.4	M122 Y123 G124 D126 R135	M122-H137 HydrophobicContact CE-CB 3.86Å; M122-H137 HydrophobicContact SD-CB 3.98Å; Y123-H137 CarbonylContact C-O 3.55Å; Y123-H137 WeakPolarHBondContact CA-O 3.34Å; Y123-H137 VanDerWaalsContact CB-O 3.29Å; Y123-H137 WeakPolarHBondContact CB-O 3.37Å; G124-H137 PolarHBondContact N-O 3.25Å; G124-H137 PolarHBondContact O-N 3.39Å; D126-H137 VanDerWaalsContact CG-NE2 3.31Å; D126-H137 IonicContact OD1-CD2 3.61Å; D126-H137 IonicContact OD1-NE2 3.46Å; D126-H137 PolarHBondContact OD1-NE2 3.19Å; D126-H137 IonicContact OD2-CD2 3.98Å; D126-H137 IonicContact OD2-CE1 2.63Å; D126-H137 IonicContact OD2-NE2 3.34Å; D126-H137 PolarHBondContact OD2-NE2 2.9Å; R135-H137 WeakPolarHBondContact CD-CE1 3.32Å; R135-H137 PolarHBondContact NE-CE1 3.06Å
138	D	98.5	Very high	96.2	Very high	3 Å²	3	60 Å²	60	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	108.8	162.4	-175	58.1	0	0	0	108.4	R121 M122 Y123 L150 L180	R121-D138 IonicContact CZ-OD1 3.96Å; R121-D138 IonicContact NE-OD1 3.18Å; R121-D138 PolarHBondContact NE-OD1 3.45Å; R121-D138 IonicContact NH2-OD1 3.13Å; R121-D138 PolarHBondContact NH2-OD1 2.99Å; R121-D138 IonicContact NH2-OD2 3.91Å; M122-D138 CarbonylContact O-C 3.52Å; M122-D138 WeakPolarHBondContact O-CA 3.36Å; Y123-D138 VanDerWaalsContact CB-OD1 3.31Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.48Å; D138-L150 HydrophobicContact CB-CB 4.01Å; D138-L150 HydrophobicContact CB-CD2 4.22Å; D138-L150 WeakPolarHBondContact O-CB 3.43Å; D138-L150 PolarHBondContact O-N 2.86Å; D138-L180 HydrophobicContact CB-CD1 4.43Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.3Å
139	Q	98.5	Very high	96.5	Very high	85 Å²	85	61 Å²	61	40%	0.397	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	142.6	-176.5	64.6	-171.2	48.2	0	0	111.3	R121 M122 A149	R121-Q139 CarbonylContact C-O 3.44Å; R121-Q139 VanDerWaalsContact CA-O 3.3Å; R121-Q139 WeakPolarHBondContact CA-O 3.47Å; M122-Q139 HydrophobicContact CB-CG 4.01Å; M122-Q139 HydrophobicContact CE-CG 3.94Å; M122-Q139 PolarHBondContact N-O 2.92Å; M122-Q139 PolarHBondContact O-N 2.93Å; Q139-A149 HydrophobicContact CB-CB 3.92Å
140	F	98.7	Very high	97	Very high	21 Å²	21	57.6 Å²	57.6	9%	0.092	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.8	179.2	-70	-104.1	0	0	0	110.5	I119 Q120 R121 Y147 I148 W171	I119-F140 HydrophobicContact CG2-CD1 4.22Å; Q120-F140 CarbonylContact O-C 3.54Å; Q120-F140 VanDerWaalsContact O-CA 3.24Å; Q120-F140 WeakPolarHBondContact O-CA 3.46Å; R121-F140 HydrophobicContact CB-CD1 3.88Å; R121-F140 HydrophobicContact CB-CE1 3.78Å; R121-F140 HydrophobicContact CB-CG 4.43Å; R121-F140 HydrophobicContact CB-CZ 4.23Å; R121-F140 HydrophobicContact CG-CD1 4Å; R121-F140 HydrophobicContact CG-CD2 4.18Å; R121-F140 HydrophobicContact CG-CE1 3.64Å; R121-F140 HydrophobicContact CG-CE2 3.8Å; R121-F140 HydrophobicContact CG-CG 4.28Å; R121-F140 HydrophobicContact CG-CZ 3.55Å; R121-F140 VanDerWaalsContact NE-CZ 3.27Å; F140-Y147 HydrophobicContact CB-CD1 4.41Å; F140-Y147 WeakPolarHBondContact O-CB 3.48Å; F140-Y147 PolarHBondContact O-N 3.1Å; F140-I148 HydrophobicContact CB-CG2 4.17Å; F140-I148 HydrophobicContact CD2-CG2 4.22Å; F140-I148 HydrophobicContact CG-CG2 4.5Å; F140-I148 PolarHBondContact N-O 2.97Å; F140-I148 PolarHBondContact O-N 3.24Å; F140-W171 AromaticContact CD2-CH2 3.87Å; F140-W171 HydrophobicContact CD2-CH2 3.87Å; F140-W171 HydrophobicContact CD2-CZ3 4.37Å; F140-W171 AromaticContact CE2-CH2 3.52Å; F140-W171 HydrophobicContact CE2-CH2 3.52Å; F140-W171 HydrophobicContact CE2-CZ3 4.19Å; F140-W171 AromaticContact CZ-CH2 3.98Å; F140-W171 HydrophobicContact CZ-CH2 3.98Å
141	A	98.8	Very high	97.5	Very high	17 Å²	17	54.8 Å²	54.8	14%	0.14	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.8	169.7	0	0	0	0	0	110.4	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.39Å; Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 2.84Å; Q120-A141 PolarHBondContact O-N 3.33Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.29Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å
142	Y	98.8	Very high	97.9	Very high	11 Å²	11	60.4 Å²	60.4	4%	0.043	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.1	175.1	-174.3	-122.4	0	0	0	110.1	L102 L105 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.29Å; L105-Y142 HydrophobicContact CB-CD1 4.36Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 3.99Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.45Å; L105-Y142 HydrophobicContact CD1-CD1 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.44Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.44Å; L105-Y142 HydrophobicContact CD1-CE2 3.84Å; L105-Y142 HydrophobicContact CD1-CG 3.78Å; L105-Y142 HydrophobicContact CG-CD2 4.45Å; Y109-Y142 AromaticContact CD2-CD1 3.67Å; Y109-Y142 HydrophobicContact CD2-CD1 3.67Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.45Å; Y109-Y142 HydrophobicContact CE2-CD1 3.45Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.45Å; Y109-Y142 AromaticContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CE1 3.77Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.33Å; Q111-Y142 PolarHBondContact OE1-OH 2.94Å; H117-Y142 HydrophobicContact CB-CE2 3.82Å; H117-Y142 WeakPolarHBondContact CB-OH 3.49Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.67Å; I118-Y142 CarbonylContact O-C 3.59Å; I118-Y142 WeakPolarHBondContact O-CA 3.43Å; I118-Y142 WeakPolarHBondContact O-CD2 3.31Å; I119-Y142 HydrophobicContact CG1-CD2 3.78Å; I119-Y142 HydrophobicContact CG1-CE2 4.21Å; Y142-G144 PolarHBondContact O-N 3.42Å; Y142-K145 PolarHBondContact N-O 3.19Å; Y142-K145 PolarHBondContact O-N 3.38Å
143	D	98.2	Very high	98	Very high	63 Å²	63	55.9 Å²	55.9	34%	0.337	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	40	-175.5	-65.5	-20.8	0	0	0	113.2	Q111 H117 I118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.89Å; H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.42Å; H117-D143 IonicContact CE1-OD2 2.85Å; H117-D143 IonicContact CG-OD1 3.59Å; H117-D143 IonicContact CG-OD2 2.75Å; H117-D143 IonicContact ND1-OD1 3.8Å; H117-D143 PolarHBondContact ND1-OD1 3.1Å; H117-D143 IonicContact ND1-OD2 3.93Å; H117-D143 PolarHBondContact ND1-OD2 3.44Å; I118-D143 PolarHBondContact N-OD1 2.64Å; I118-D143 PolarHBondContact O-N 2.83Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.05Å
144	G	97.2	Very high	98.1	Very high	57 Å²	57	53.8 Å²	53.8	59%	0.588	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	8.3	177.8	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 3.42Å
145	K	98.5	Very high	98.2	Very high	162 Å²	162	55.8 Å²	55.8	70%	0.704	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.8	176.3	-61.7	-178.4	-177.4	179	0	110.9	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.29Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.45Å; Y142-K145 PolarHBondContact N-O 3.19Å; Y142-K145 PolarHBondContact O-N 3.38Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.05Å; K145-Y147 PolarHBondContact O-N 2.9Å
146	D	98.7	Very high	98.2	Very high	127 Å²	127	52.7 Å²	52.7	68%	0.679	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.3	136.3	174.5	-66.1	-21.4	0	0	0	110.8	A160	D146-A160 HydrophobicContact CB-CB 4.24Å; D146-A160 WeakPolarHBondContact O-CB 3.43Å
147	Y	98.8	Very high	98.3	Very high	11 Å²	11	53 Å²	53	4%	0.043	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-64.3	178.7	-179.2	-108.8	0	0	0	110.3	L105 Y109 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.29Å; L105-Y147 HydrophobicContact CD2-CE1 3.86Å; L105-Y147 HydrophobicContact CD2-CE2 3.51Å; L105-Y147 VanDerWaalsContact CD2-OH 3.25Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.33Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CE2 2.95Å; F140-Y147 HydrophobicContact CB-CD1 4.41Å; F140-Y147 WeakPolarHBondContact O-CB 3.48Å; F140-Y147 PolarHBondContact O-N 3.1Å; K145-Y147 PolarHBondContact O-N 2.9Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 2.86Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 3.37Å; Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 HydrophobicContact CE1-CB 4.41Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å
148	I	98.8	Very high	98.3	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	141.7	178.5	-162.7	172.6	0	0	0	110.2	F140 W157 T158 T167 Q168 W171	F140-I148 HydrophobicContact CB-CG2 4.17Å; F140-I148 HydrophobicContact CD2-CG2 4.22Å; F140-I148 HydrophobicContact CG-CG2 4.5Å; F140-I148 PolarHBondContact N-O 2.97Å; F140-I148 PolarHBondContact O-N 3.24Å; I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.39Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; I148-T158 WeakPolarHBondContact CA-O 3.22Å; I148-T158 WeakPolarHBondContact CG1-O 3.39Å; I148-T167 HydrophobicContact CD1-CG2 4.12Å; I148-Q168 HydrophobicContact CD1-CB 3.86Å; I148-W171 HydrophobicContact CD1-CE3 4.08Å; I148-W171 HydrophobicContact CD1-CZ3 4.3Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 4.05Å; I148-W171 HydrophobicContact CG2-CZ3 3.71Å
149	A	98.8	Very high	98.3	Very high	31 Å²	31	56.6 Å²	56.6	26%	0.256	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.5	178.4	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.92Å; A149-W157 WeakPolarHBondContact O-CA 3.25Å; A149-T158 PolarHBondContact N-O 2.87Å; A149-T158 PolarHBondContact O-N 2.65Å
150	L	98.8	Very high	98.3	Very high	16 Å²	16	55.4 Å²	55.4	8%	0.084	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129	169	-175.6	66.9	0	0	0	108.6	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 4.01Å; D138-L150 HydrophobicContact CB-CD2 4.22Å; D138-L150 WeakPolarHBondContact O-CB 3.43Å; D138-L150 PolarHBondContact O-N 2.86Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; L150-W157 HydrophobicContact CB-CE3 4.04Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.3Å; L150-W157 HydrophobicContact CD1-CH2 4.08Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.22Å; L150-A177 HydrophobicContact CD1-CB 4.04Å; L150-L180 HydrophobicContact CD2-CB 4.34Å; L150-L184 HydrophobicContact CD2-CD1 3.86Å
151	N	98.4	Very high	98.3	Very high	44 Å²	44	57 Å²	57	24%	0.235	32%	0.315	C	S	.	.			trans	-73.3	162.2	179.7	-67.7	-28.7	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.02Å; N151-L154 PolarHBondContact O-N 3Å; N151-S156 WeakPolarHBondContact CB-O 3.32Å; N151-S156 WeakPolarHBondContact CB-OG 3.17Å; N151-S156 PolarHBondContact N-O 2.84Å; N151-S156 PolarHBondContact ND2-OG 3.31Å; N151-T158 PolarHBondContact ND2-OG1 3.12Å; N151-T158 WeakPolarHBondContact OD1-CB 3.39Å; N151-T158 PolarHBondContact OD1-OG1 2.72Å
152	E	97.1	Very high	98.3	Very high	137 Å²	137	61.4 Å²	61.4	64%	0.64	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.7	-179.6	-65.4	-179.8	-176.2	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 3.2Å; R135-E152 IonicContact NH1-OE1 2.78Å; R135-E152 PolarHBondContact NH1-OE1 3.08Å; R135-E152 IonicContact NH2-OE1 2.74Å; R135-E152 PolarHBondContact NH2-OE1 3.21Å; E152-L154 PolarHBondContact O-N 2.86Å
153	D	97.3	Very high	98.2	Very high	78 Å²	78	61.1 Å²	61.1	42%	0.417	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.1	174	70.8	4.6	0	0	0	114.1	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.02Å; D153-R155 WeakPolarHBondContact O-CG 3.29Å; D153-R155 PolarHBondContact O-N 3.35Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 3.34Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.86Å; D153-S156 PolarHBondContact OD1-OG 3.43Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.33Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
154	L	97.9	Very high	98.2	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.042	33%	0.325	C	S	.	.	S	Bend	trans	53.4	27.3	-175.5	-53	-178.7	0	0	0	113.9	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.11Å; L150-L154 HydrophobicContact CD2-CD2 3.74Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; N151-L154 PolarHBondContact O-N 3Å; E152-L154 PolarHBondContact O-N 2.86Å; L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.87Å; L154-R181 HydrophobicContact CD1-CG 4.21Å; L154-L184 HydrophobicContact CD2-CD1 4.01Å; L154-E185 HydrophobicContact CD1-CG 4.19Å
155	R	97.4	Very high	98.3	Very high	165 Å²	165	59 Å²	59	62%	0.623	31%	0.313	S	S	*	.	S	Bend	trans	-134.6	-30	-174	-70.9	169.1	-174.9	-107.9	11.7	112.8	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3.29Å; D153-R155 PolarHBondContact O-N 3.35Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 3.34Å; R155-R181 VanDerWaalsContact CZ-NH1 3.31Å
156	S	97.9	Very high	98.3	Very high	40 Å²	40	54.1 Å²	54.1	28%	0.28	30%	0.295	S	S	.	.			trans	-117.9	164.1	-177.2	64.9	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.32Å; N151-S156 WeakPolarHBondContact CB-OG 3.17Å; N151-S156 PolarHBondContact N-O 2.84Å; N151-S156 PolarHBondContact ND2-OG 3.31Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.86Å; D153-S156 PolarHBondContact OD1-OG 3.43Å; D153-S156 VanDerWaalsContact OD1-OG 3.1Å; D153-S156 WeakPolarHBondContact OD2-CB 3.33Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
157	W	98.6	Very high	98.3	Very high	10 Å²	10	49 Å²	49	4%	0.038	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.5	-176.2	-62.2	93.7	0	0	0	110.9	I148 A149 L150 Q168 W171 E176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.18Å; I148-W157 HydrophobicContact CD1-CD2 4.39Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CD1-CG 4.42Å; I148-W157 HydrophobicContact CG1-CB 4.31Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; A149-W157 WeakPolarHBondContact O-CA 3.25Å; L150-W157 HydrophobicContact CB-CE3 4.04Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.3Å; L150-W157 HydrophobicContact CD1-CH2 4.08Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.22Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 2.63Å; W157-W171 AromaticContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CZ3 4.47Å; W157-W171 AromaticContact CE2-CE3 3.76Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 3.92Å; W157-W171 AromaticContact CH2-CE3 3.38Å; W157-W171 HydrophobicContact CH2-CE3 3.38Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.38Å; W157-W171 AromaticContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.48Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.6Å; W157-W171 HydrophobicContact CZ3-CE3 3.6Å; W157-W171 AromaticContact CZ3-CZ3 3.34Å; W157-W171 HydrophobicContact CZ3-CZ3 3.34Å; W157-E176 HydrophobicContact CZ2-CB 4.37Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å; W157-L180 HydrophobicContact CH2-CD1 3.35Å; W157-L180 HydrophobicContact CZ2-CD1 3.71Å
158	T	98.7	Very high	98.3	Very high	79 Å²	79	50.4 Å²	50.4	49%	0.485	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.6	166.9	-66.4	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.22Å; I148-T158 WeakPolarHBondContact CG1-O 3.39Å; A149-T158 PolarHBondContact N-O 2.87Å; A149-T158 PolarHBondContact O-N 2.65Å; N151-T158 PolarHBondContact ND2-OG1 3.12Å; N151-T158 WeakPolarHBondContact OD1-CB 3.39Å; N151-T158 PolarHBondContact OD1-OG1 2.72Å
159	A	98.7	Very high	98.3	Very high	22 Å²	22	57.7 Å²	57.7	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	131.3	174.7	0	0	0	0	0	110.6	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 3.93Å; A159-Q168 HydrophobicContact CB-CB 4.39Å
160	A	98.5	Very high	98.2	Very high	60 Å²	60	61.5 Å²	61.5	50%	0.496	31%	0.313	S	S	.	.	S	Bend	trans	-74.4	-30.4	-177.1	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.24Å; D146-A160 WeakPolarHBondContact O-CB 3.43Å; Y147-A160 WeakPolarHBondContact O-CB 3.47Å; Y147-A160 PolarHBondContact O-N 2.86Å
161	D	98.3	Very high	98.2	Very high	54 Å²	54	63.3 Å²	63.3	29%	0.289	32%	0.318	S	S	.	.	S	Bend	trans	-150.5	-177.3	-179	68.3	29.6	0	0	0	113.4	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.48Å; Y109-D161 PolarHBondContact OH-OD2 3.19Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.8Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 3.13Å; D161-A164 PolarHBondContact O-N 2.86Å; D161-A164 PolarHBondContact OD1-N 2.95Å; D161-Q165 WeakPolarHBondContact O-CG 3.45Å; D161-Q165 PolarHBondContact O-N 3.07Å
162	T	98.2	Very high	98.2	Very high	111 Å²	111	65.7 Å²	65.7	68%	0.681	33%	0.328	S	S	*	.	H	α-helix	trans	-64.2	-27.9	-179.3	59	0	0	0	0	114.4
163	A	97.9	Very high	98.3	Very high	5 Å²	5	63.4 Å²	63.4	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-73.7	-42.8	175.3	0	0	0	0	0	110	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CD2-CB 4.44Å; Y109-A163 HydrophobicContact CE1-CB 3.65Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A163 PolarHBondContact OH-O 3.37Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.8Å; D161-A163 WeakPolarHBondContact OD1-CA 3.48Å; D161-A163 WeakPolarHBondContact OD1-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 3.13Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.91Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 2.86Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-34.3	173.8	0	0	0	0	0	113.1	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 HydrophobicContact CE1-CB 4.41Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 2.86Å; D161-A164 PolarHBondContact OD1-N 2.95Å; A164-I166 PolarHBondContact O-N 2.91Å; A164-T167 WeakPolarHBondContact O-CA 3.47Å; A164-T167 WeakPolarHBondContact O-CB 3.43Å; A164-T167 PolarHBondContact O-N 2.92Å; A164-Q168 PolarHBondContact O-N 2.99Å
165	Q	98.7	Very high	98.3	Very high	74 Å²	74	69.2 Å²	69.2	35%	0.346	36%	0.359	S	S	.	.	H	α-helix	trans	-59.7	-27.8	173.4	-72.2	174.9	10.8	0	0	113	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.93Å; D161-Q165 WeakPolarHBondContact O-CG 3.45Å; D161-Q165 PolarHBondContact O-N 3.07Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.91Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.17Å; Q165-R169 PolarHBondContact O-N 3.17Å; Q165-R169 VanDerWaalsContact O-N 3.1Å
166	I	98.3	Very high	98.2	Very high	61 Å²	61	64.3 Å²	64.3	31%	0.313	34%	0.344	S	S	.	.	H	α-helix	trans	-67.1	-43	174	-55.9	171.4	0	0	0	110	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.27Å; Y108-I166 HydrophobicContact CD2-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CG2 4.19Å; Y108-I166 HydrophobicContact CE2-CB 4.13Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.25Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 2.86Å; A164-I166 PolarHBondContact O-N 2.91Å; I166-K170 WeakPolarHBondContact O-CG 3.35Å; I166-K170 PolarHBondContact O-N 2.78Å
167	T	98.3	Very high	98.2	Very high	18 Å²	18	62.8 Å²	62.8	11%	0.11	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-46.4	174.5	-69.8	0	0	0	0	111	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.82Å; I148-T167 HydrophobicContact CD1-CG2 4.12Å; A164-T167 WeakPolarHBondContact O-CA 3.47Å; A164-T167 WeakPolarHBondContact O-CB 3.43Å; A164-T167 PolarHBondContact O-N 2.92Å; T167-R169 PolarHBondContact O-N 3.25Å; T167-K170 WeakPolarHBondContact O-CB 3.5Å; T167-K170 PolarHBondContact O-N 2.8Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.49Å; T167-W171 HydrophobicContact CG2-CE3 4.08Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.23Å; T167-W171 HydrophobicContact CG2-CZ2 3.82Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 PolarHBondContact O-N 3.27Å
168	Q	98.6	Very high	98.2	Very high	41 Å²	41	67.5 Å²	67.5	19%	0.192	36%	0.356	C	S	.	.	H	α-helix	trans	-51.2	-53.8	177.8	176	173.1	11.7	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.86Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 2.63Å; A159-Q168 HydrophobicContact CB-CB 4.39Å; A164-Q168 PolarHBondContact O-N 2.99Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 3.47Å; Q168-W171 PolarHBondContact O-N 2.85Å; Q168-W171 VanDerWaalsContact O-N 3.12Å; Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.38Å; Q168-E172 PolarHBondContact NE2-OE1 3.32Å; Q168-E172 WeakPolarHBondContact O-CB 3.17Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 2.99Å
169	R	98.6	Very high	98	Very high	157 Å²	157	70 Å²	70	59%	0.592	36%	0.362	S	S	*	.	H	α-helix	trans	-59.3	-36.6	-180	-68.2	170.4	-165.4	157.7	8.6	112.7	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.17Å; Q165-R169 PolarHBondContact O-N 3.17Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; T167-R169 PolarHBondContact O-N 3.25Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.17Å; R169-A173 PolarHBondContact O-N 2.84Å; R169-A173 VanDerWaalsContact O-N 3.08Å
170	K	98.1	Very high	98	Very high	111 Å²	111	70.3 Å²	70.3	48%	0.483	36%	0.36	S	S	.	.	H	α-helix	trans	-68.1	-44.1	177	-72.6	176.4	-179.9	-177.7	0	111.4	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.87Å; I166-K170 WeakPolarHBondContact O-CG 3.35Å; I166-K170 PolarHBondContact O-N 2.78Å; T167-K170 WeakPolarHBondContact O-CB 3.5Å; T167-K170 PolarHBondContact O-N 2.8Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 3.47Å; K170-A173 PolarHBondContact O-N 2.87Å; K170-A174 WeakPolarHBondContact O-CB 3.33Å; K170-A174 PolarHBondContact O-N 3.17Å
171	W	98.2	Very high	98	Very high	54 Å²	54	70.7 Å²	70.7	21%	0.205	35%	0.349	C	S	.	.	H	α-helix	trans	-70.7	-36.8	-179.4	-73.7	2	0	0	0	112.7	F140 I148 W157 T167 Q168 A174 R175 E176	F140-W171 AromaticContact CD2-CH2 3.87Å; F140-W171 HydrophobicContact CD2-CH2 3.87Å; F140-W171 HydrophobicContact CD2-CZ3 4.37Å; F140-W171 AromaticContact CE2-CH2 3.52Å; F140-W171 HydrophobicContact CE2-CH2 3.52Å; F140-W171 HydrophobicContact CE2-CZ3 4.19Å; F140-W171 AromaticContact CZ-CH2 3.98Å; F140-W171 HydrophobicContact CZ-CH2 3.98Å; I148-W171 HydrophobicContact CD1-CE3 4.08Å; I148-W171 HydrophobicContact CD1-CZ3 4.3Å; I148-W171 HydrophobicContact CG2-CE3 4.5Å; I148-W171 HydrophobicContact CG2-CH2 4.05Å; I148-W171 HydrophobicContact CG2-CZ3 3.71Å; W157-W171 AromaticContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CE3 3.95Å; W157-W171 HydrophobicContact CD2-CZ3 4.47Å; W157-W171 AromaticContact CE2-CE3 3.76Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.92Å; W157-W171 HydrophobicContact CE3-CZ3 3.92Å; W157-W171 AromaticContact CH2-CE3 3.38Å; W157-W171 HydrophobicContact CH2-CE3 3.38Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CH2-CZ3 3.36Å; W157-W171 HydrophobicContact CZ2-CD2 4.38Å; W157-W171 AromaticContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.48Å; W157-W171 AromaticContact CZ2-CZ3 3.99Å; W157-W171 HydrophobicContact CZ2-CZ3 3.99Å; W157-W171 AromaticContact CZ3-CE3 3.6Å; W157-W171 HydrophobicContact CZ3-CE3 3.6Å; W157-W171 AromaticContact CZ3-CZ3 3.34Å; W157-W171 HydrophobicContact CZ3-CZ3 3.34Å; T167-W171 HydrophobicContact CG2-CD2 3.65Å; T167-W171 VanDerWaalsContact CG2-CE2 3.49Å; T167-W171 HydrophobicContact CG2-CE3 4.08Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.23Å; T167-W171 HydrophobicContact CG2-CZ2 3.82Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 PolarHBondContact O-N 3.27Å; Q168-W171 PolarHBondContact O-N 2.85Å; Q168-W171 VanDerWaalsContact O-N 3.12Å; W171-A174 CarbonylContact O-C 3.6Å; W171-A174 PolarHBondContact O-N 3.01Å; W171-R175 WeakPolarHBondContact O-CA 3.46Å; W171-R175 PolarHBondContact O-N 3.19Å; W171-E176 HydrophobicContact CB-CB 4Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CG-CB 4.19Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 2.88Å
172	E	98.4	Very high	97.9	Very high	95 Å²	95	71.1 Å²	71.1	44%	0.444	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-46.2	171.6	-72.7	170.3	172.7	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.28Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.38Å; Q168-E172 PolarHBondContact NE2-OE1 3.32Å; Q168-E172 WeakPolarHBondContact O-CB 3.17Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 2.99Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.21Å; E172-R175 PolarHBondContact O-N 3.36Å; E172-R175 VanDerWaalsContact O-N 3.13Å
173	A	98.3	Very high	97.9	Very high	88 Å²	88	68.7 Å²	68.7	73%	0.727	34%	0.339	S	S	*	.	H	α-helix	trans	-62.8	-34.7	176.6	0	0	0	0	0	112.7	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.17Å; R169-A173 PolarHBondContact O-N 2.84Å; R169-A173 VanDerWaalsContact O-N 3.08Å; K170-A173 PolarHBondContact O-N 2.87Å
174	A	97.8	Very high	97.9	Very high	52 Å²	52	68.5 Å²	68.5	43%	0.43	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.2	176.9	0	0	0	0	0	114	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.33Å; K170-A174 PolarHBondContact O-N 3.17Å; W171-A174 CarbonylContact O-C 3.6Å; W171-A174 PolarHBondContact O-N 3.01Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.21Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.03Å; A174-E176 PolarHBondContact O-N 2.87Å
175	R	97.4	Very high	97.9	Very high	157 Å²	157	72.7 Å²	72.7	59%	0.592	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	38.3	-176.6	-61.1	176.7	163.2	-141.4	4.7	113.9	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.46Å; W171-R175 PolarHBondContact O-N 3.19Å; E172-R175 PolarHBondContact O-N 3.36Å; E172-R175 VanDerWaalsContact O-N 3.13Å; R175-A177 PolarHBondContact O-N 2.86Å; R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE1 3.24Å; R175-E178 IonicContact CZ-OE1 2.79Å; R175-E178 IonicContact NE-OE1 3.27Å; R175-E178 IonicContact NH1-OE1 2.73Å; R175-E178 PolarHBondContact NH1-OE1 2.9Å; R175-E178 IonicContact NH1-OE2 3.48Å; R175-E178 WeakPolarHBondContact O-CB 3.24Å; R175-E178 PolarHBondContact O-N 3.36Å
176	E	97.1	Very high	97.9	Very high	62 Å²	62	70.2 Å²	70.2	29%	0.29	35%	0.351	S	S	.	.	H	α-helix	trans	-58.6	-33.6	-177.9	-65	-71.4	179.9	0	0	112.5	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.37Å; W171-E176 HydrophobicContact CB-CB 4Å; W171-E176 HydrophobicContact CB-CG 3.85Å; W171-E176 HydrophobicContact CG-CB 4.19Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 2.88Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.03Å; A174-E176 PolarHBondContact O-N 2.87Å; E176-E178 PolarHBondContact O-N 3.1Å; E176-Q179 PolarHBondContact O-N 2.86Å; E176-L180 PolarHBondContact O-N 2.83Å; E176-L180 VanDerWaalsContact O-N 3.09Å
177	A	98	Very high	97.8	Very high	8 Å²	8	70 Å²	70	7%	0.066	35%	0.353	C	S	.	.	H	α-helix	trans	-59.9	-33.4	177.2	0	0	0	0	0	112.7	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 4.04Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å; R175-A177 PolarHBondContact O-N 2.86Å; A177-Q179 PolarHBondContact O-N 3.31Å; A177-R181 WeakPolarHBondContact O-CB 3.35Å; A177-R181 PolarHBondContact O-N 2.9Å
178	E	97.4	Very high	97.8	Very high	109 Å²	109	69.2 Å²	69.2	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-65.8	-39.5	178.3	-64.1	179	-173.6	0	0	111.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.21Å; R175-E178 WeakPolarHBondContact CD-OE1 3.24Å; R175-E178 IonicContact CZ-OE1 2.79Å; R175-E178 IonicContact NE-OE1 3.27Å; R175-E178 IonicContact NH1-OE1 2.73Å; R175-E178 PolarHBondContact NH1-OE1 2.9Å; R175-E178 IonicContact NH1-OE2 3.48Å; R175-E178 WeakPolarHBondContact O-CB 3.24Å; R175-E178 PolarHBondContact O-N 3.36Å; E176-E178 PolarHBondContact O-N 3.1Å; E178-A182 PolarHBondContact O-N 2.8Å; E178-A182 VanDerWaalsContact O-N 3.07Å
179	Q	95.6	Very high	97.8	Very high	130 Å²	130	67.6 Å²	67.6	61%	0.607	34%	0.341	S	S	*	.	H	α-helix	trans	-70	-44.8	178.1	-61.3	-175.3	21.3	0	0	111.6	E176 A177 R181 A182 Y183	E176-Q179 PolarHBondContact O-N 2.86Å; A177-Q179 PolarHBondContact O-N 3.31Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; Q179-A182 PolarHBondContact O-N 3.36Å; Q179-Y183 PolarHBondContact O-N 2.82Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å
180	L	97.2	Very high	97.8	Very high	29 Å²	29	66.1 Å²	66.1	15%	0.152	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-42.6	177.3	-71.5	168.8	0	0	0	111.3	D138 L150 W157 E176 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.43Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.3Å; L150-L180 HydrophobicContact CD2-CB 4.34Å; W157-L180 HydrophobicContact CH2-CD1 3.35Å; W157-L180 HydrophobicContact CZ2-CD1 3.71Å; E176-L180 PolarHBondContact O-N 2.83Å; E176-L180 VanDerWaalsContact O-N 3.09Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.85Å; L180-Y183 PolarHBondContact O-N 3.16Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 VanDerWaalsContact O-CG 3.23Å; L180-L184 WeakPolarHBondContact O-CG 3.45Å; L180-L184 PolarHBondContact O-N 3.34Å
181	R	98.1	Very high	97.8	Very high	68 Å²	68	62.8 Å²	62.8	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-59.4	-44.6	175	-176.2	172.9	179.6	-131.3	-14.6	112	L154 R155 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.11Å; L154-R181 HydrophobicContact CB-CG 3.87Å; L154-R181 HydrophobicContact CD1-CG 4.21Å; R155-R181 VanDerWaalsContact CZ-NH1 3.31Å; A177-R181 WeakPolarHBondContact O-CB 3.35Å; A177-R181 PolarHBondContact O-N 2.9Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.24Å; R181-L184 PolarHBondContact O-N 3.07Å; R181-E185 HydrophobicContact CG-CG 4.06Å; R181-E185 IonicContact CZ-OE1 3.54Å; R181-E185 VanDerWaalsContact CZ-OE1 3.24Å; R181-E185 IonicContact CZ-OE2 3.37Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.73Å; R181-E185 PolarHBondContact NE-OE1 3.4Å; R181-E185 IonicContact NE-OE2 3.54Å; R181-E185 PolarHBondContact NE-OE2 2.81Å; R181-E185 IonicContact NH2-OE1 2.89Å; R181-E185 PolarHBondContact NH2-OE1 2.81Å; R181-E185 IonicContact NH2-OE2 2.7Å; R181-E185 PolarHBondContact NH2-OE2 2.73Å; R181-E185 WeakPolarHBondContact O-CB 3.33Å; R181-E185 PolarHBondContact O-N 3.37Å
182	A	98.1	Very high	97.8	Very high	64 Å²	64	60.2 Å²	60.2	53%	0.529	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-39.4	176.8	0	0	0	0	0	112.4	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 2.8Å; E178-A182 VanDerWaalsContact O-N 3.07Å; Q179-A182 PolarHBondContact O-N 3.36Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.85Å; A182-G186 PolarHBondContact O-N 3.12Å; A182-G186 VanDerWaalsContact O-N 3.15Å
183	Y	97.9	Very high	97.7	Very high	60 Å²	60	61.5 Å²	61.5	24%	0.235	32%	0.316	C	S	.	.	I	π-helix	trans	-66.2	-48.6	173.3	170.2	-97.1	0	0	0	112.1	Y123 Q179 L180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.87Å; Y123-Y183 HydrophobicContact CD2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CE1 3.71Å; Y123-Y183 HydrophobicContact CE2-CE1 3.71Å; Y123-Y183 AromaticContact CE2-CZ 3.93Å; Q179-Y183 PolarHBondContact O-N 2.82Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å; L180-Y183 PolarHBondContact O-N 3.16Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.24Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 2.91Å; Y183-T187 HydrophobicContact CD2-CG2 3.99Å; Y183-T187 HydrophobicContact CE2-CG2 3.89Å; Y183-T187 PolarHBondContact O-N 2.72Å; Y183-T187 VanDerWaalsContact O-N 3.1Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.16Å; Y183-C188 PolarHBondContact O-N 2.84Å
184	L	98.4	Very high	97.6	Very high	1 Å²	1	63 Å²	63	1%	0.005	30%	0.303	C	S	.	.	I	π-helix	trans	-68.7	-38.8	-174.5	-70	171	0	0	0	112.7	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.31Å; L150-L184 HydrophobicContact CD2-CD1 3.86Å; L154-L184 HydrophobicContact CD2-CD1 4.01Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 VanDerWaalsContact O-CG 3.23Å; L180-L184 WeakPolarHBondContact O-CG 3.45Å; L180-L184 PolarHBondContact O-N 3.34Å; R181-L184 PolarHBondContact O-N 3.07Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å
185	E	97.8	Very high	97.6	Very high	88 Å²	88	60.6 Å²	60.6	41%	0.411	28%	0.283	S	S	.	.	I	π-helix	trans	-80.2	-23.1	177.3	-68.6	-178.8	165.2	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L154-E185 HydrophobicContact CD1-CG 4.19Å; R181-E185 HydrophobicContact CG-CG 4.06Å; R181-E185 IonicContact CZ-OE1 3.54Å; R181-E185 VanDerWaalsContact CZ-OE1 3.24Å; R181-E185 IonicContact CZ-OE2 3.37Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.73Å; R181-E185 PolarHBondContact NE-OE1 3.4Å; R181-E185 IonicContact NE-OE2 3.54Å; R181-E185 PolarHBondContact NE-OE2 2.81Å; R181-E185 IonicContact NH2-OE1 2.89Å; R181-E185 PolarHBondContact NH2-OE1 2.81Å; R181-E185 IonicContact NH2-OE2 2.7Å; R181-E185 PolarHBondContact NH2-OE2 2.73Å; R181-E185 WeakPolarHBondContact O-CB 3.33Å; R181-E185 PolarHBondContact O-N 3.37Å
186	G	97.6	Very high	97.6	Very high	22 Å²	22	53.8 Å²	53.8	23%	0.227	26%	0.258	C	S	.	.	I	π-helix	trans	-111.1	-91.4	-177	0	0	0	0	0	112.5	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.12Å; A182-G186 VanDerWaalsContact O-N 3.15Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 2.91Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.03Å; G186-V189 WeakPolarHBondContact O-CB 3.22Å; G186-V189 PolarHBondContact O-N 2.75Å; G186-V189 VanDerWaalsContact O-N 3.08Å; G186-E190 WeakPolarHBondContact O-CG 3.39Å; G186-E190 PolarHBondContact O-N 2.84Å
187	T	97.6	Very high	97.5	Very high	57 Å²	57	56.8 Å²	56.8	35%	0.35	27%	0.272	S	S	.	.	I	π-helix	trans	-54.3	-42.5	-170.5	-56.6	0	0	0	0	113.3	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.99Å; Y183-T187 HydrophobicContact CE2-CG2 3.89Å; Y183-T187 PolarHBondContact O-N 2.72Å; Y183-T187 VanDerWaalsContact O-N 3.1Å; T187-V189 PolarHBondContact O-N 2.85Å; T187-E190 PolarHBondContact O-N 2.9Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 PolarHBondContact O-N 2.91Å
188	C	98.3	Very high	97.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-47.9	178.6	-171.3	0	0	0	0	111.7	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.21Å; M29-C188 VanDerWaalsContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-O 3.09Å; M29-C188 WeakPolarHBondContact CE-SG 3.42Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.09Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.37Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.75Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.16Å; Y183-C188 PolarHBondContact O-N 2.84Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 3.03Å; C188-E190 PolarHBondContact O-N 2.83Å; C188-W191 PolarHBondContact O-N 3.25Å; C188-L192 WeakPolarHBondContact O-CB 3.17Å; C188-L192 PolarHBondContact O-N 3.01Å
189	V	98.2	Very high	97.3	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-43.9	178.4	176.2	0	0	0	0	111.2	L127 L133 L184 G186 T187 R193	L127-V189 HydrophobicContact CD1-CG1 4.45Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.73Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L133-V189 HydrophobicContact CB-CG2 4.06Å; L133-V189 HydrophobicContact CD1-CG2 4.07Å; L184-V189 WeakPolarHBondContact O-CG2 3.3Å; G186-V189 WeakPolarHBondContact O-CB 3.22Å; G186-V189 PolarHBondContact O-N 2.75Å; G186-V189 VanDerWaalsContact O-N 3.08Å; T187-V189 PolarHBondContact O-N 2.85Å; V189-R193 VanDerWaalsContact CG1-CZ 3.47Å; V189-R193 WeakPolarHBondContact O-CG 3.44Å; V189-R193 PolarHBondContact O-N 2.89Å
190	E	98	Very high	97.2	Very high	126 Å²	126	52.8 Å²	52.8	59%	0.589	25%	0.252	S	S	*	.	H	α-helix	trans	-61.9	-46	179	-71.1	174.8	174.4	0	0	112.1	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.39Å; G186-E190 PolarHBondContact O-N 2.84Å; T187-E190 PolarHBondContact O-N 2.9Å; C188-E190 PolarHBondContact O-N 2.83Å; E190-R194 PolarHBondContact O-N 2.82Å; E190-R194 VanDerWaalsContact O-N 3.07Å
191	W	98.1	Very high	96.9	Very high	42 Å²	42	60 Å²	60	16%	0.159	29%	0.285	C	S	.	.	H	α-helix	trans	-67.5	-43.4	178.1	-81.8	105.6	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4Å; M29-W191 HydrophobicContact SD-CB 4.36Å; Y83-W191 AromaticContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CZ2 4.2Å; Y83-W191 AromaticContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CD2-CZ3 3.81Å; Y83-W191 HydrophobicContact CE2-CE3 4.3Å; Y83-W191 AromaticContact CE2-CH2 3.95Å; Y83-W191 HydrophobicContact CE2-CH2 3.95Å; Y83-W191 AromaticContact CE2-CZ3 3.81Å; Y83-W191 HydrophobicContact CE2-CZ3 3.81Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 PolarHBondContact O-N 2.91Å; C188-W191 PolarHBondContact O-N 3.25Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.07Å; W191-R194 WeakPolarHBondContact O-CB 3.43Å; W191-R194 PolarHBondContact O-N 3.05Å; W191-R194 VanDerWaalsContact O-N 3.15Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE2 4.22Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.74Å
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	-59.8	-44.3	177	175.3	49.9	0	0	0	111.2	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.42Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.34Å; M29-L192 HydrophobicContact SD-CB 4.44Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; L127-L192 HydrophobicContact CD1-CB 4.27Å; L127-L192 HydrophobicContact CD1-CD2 3.71Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CD2-CD2 4.5Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.17Å; C188-L192 PolarHBondContact O-N 3.01Å; L192-R194 PolarHBondContact O-N 3.11Å; L192-Y195 PolarHBondContact O-N 2.72Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.3Å; L192-L196 PolarHBondContact O-N 3.05Å
193	R	96.7	Very high	96.2	Very high	122 Å²	122	56 Å²	56	46%	0.46	26%	0.262	S	S	.	.	H	α-helix	trans	-59.9	-43.3	174.2	-72.3	175.8	-175.5	158	-0.9	112.5	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.97Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 2.82Å; G131-R193 VanDerWaalsContact O-NE 3.08Å; G131-R193 PolarHBondContact O-NH2 3.2Å; V189-R193 VanDerWaalsContact CG1-CZ 3.47Å; V189-R193 WeakPolarHBondContact O-CG 3.44Å; V189-R193 PolarHBondContact O-N 2.89Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.07Å; R193-L196 PolarHBondContact O-N 3.27Å; R193-E197 PolarHBondContact O-N 3.15Å
194	R	97.1	Very high	95.7	Very high	119 Å²	119	57.6 Å²	57.6	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-61.1	-44.2	176.3	178.2	179.5	174.8	115	-5.3	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 2.72Å; E79-R194 IonicContact OE1-NE 3.6Å; E79-R194 PolarHBondContact OE1-NE 2.81Å; E79-R194 IonicContact OE1-NH2 3.55Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 2.74Å; E79-R194 IonicContact OE2-NE 3.44Å; E79-R194 PolarHBondContact OE2-NE 2.85Å; E79-R194 IonicContact OE2-NH2 3.15Å; E79-R194 PolarHBondContact OE2-NH2 2.85Å; E190-R194 PolarHBondContact O-N 2.82Å; E190-R194 VanDerWaalsContact O-N 3.07Å; W191-R194 WeakPolarHBondContact O-CB 3.43Å; W191-R194 PolarHBondContact O-N 3.05Å; W191-R194 VanDerWaalsContact O-N 3.15Å; L192-R194 PolarHBondContact O-N 3.11Å; R194-E197 PolarHBondContact O-N 2.84Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-OD1 3.27Å
195	Y	97.4	Very high	95.3	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-67.4	-39.4	178.7	-62.1	-31.5	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.68Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.46Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.29Å; F57-Y195 AromaticContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CE2-CE2 3.64Å; F57-Y195 AromaticContact CE2-CZ 3.85Å; F57-Y195 HydrophobicContact CZ-CD2 4.34Å; F57-Y195 AromaticContact CZ-CE2 3.8Å; F57-Y195 HydrophobicContact CZ-CE2 3.8Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.15Å; W75-Y195 AromaticContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD1 3.59Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.31Å; W75-Y195 AromaticContact CZ3-CG 3.59Å; W75-Y195 HydrophobicContact CZ3-CG 3.59Å; V76-Y195 HydrophobicContact CG2-CE1 4.47Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.33Å; Y83-Y195 PolarHBondContact OH-OH 3.39Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CE3-CD1 4.42Å; W191-Y195 AromaticContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE1 3.53Å; W191-Y195 HydrophobicContact CE3-CE2 4.22Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.74Å; L192-Y195 PolarHBondContact O-N 2.72Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 2.9Å; Y195-N198 PolarHBondContact O-N 3.25Å; Y195-G199 WeakPolarHBondContact O-CA 3.29Å; Y195-G199 PolarHBondContact O-N 3.34Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å
196	L	95.9	Very high	95	Very high	14 Å²	14	59.2 Å²	59.2	7%	0.073	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-34.6	174.6	-71.2	169	0	0	0	112.5	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.4Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.3Å; L192-L196 PolarHBondContact O-N 3.05Å; R193-L196 PolarHBondContact O-N 3.27Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CB 3.24Å; L196-K200 PolarHBondContact O-N 2.84Å; L196-K200 VanDerWaalsContact O-N 3.14Å; L196-L203 HydrophobicContact CD2-CB 4.14Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 PolarHBondContact O-NE2 2.89Å
197	E	95.6	Very high	94.9	Very high	126 Å²	126	61.1 Å²	61.1	59%	0.589	29%	0.285	S	S	*	.	H	α-helix	trans	-72.8	-47.9	174	-171.2	60.5	-151.6	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.15Å; R194-E197 PolarHBondContact O-N 2.84Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 2.9Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 2.85Å; E197-K200 WeakPolarHBondContact O-CB 3.34Å; E197-K200 PolarHBondContact O-N 2.76Å
198	N	96.5	Very high	94.8	Very high	50 Å²	50	63 Å²	63	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-40	179.3	-70.2	-5.9	0	0	0	112.6	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.4Å; Q78-N198 VanDerWaalsContact NE2-CB 3.29Å; Q78-N198 PolarHBondContact NE2-ND2 3.29Å; Q78-N198 PolarHBondContact NE2-OD1 3.29Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.17Å; E79-N198 PolarHBondContact OE1-ND2 2.92Å; R194-N198 WeakPolarHBondContact O-CB 3.29Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-OD1 3.27Å; Y195-N198 PolarHBondContact O-N 3.25Å
199	G	95.3	Very high	94.7	Very high	2 Å²	2	63.3 Å²	63.3	2%	0.021	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	21.7	-177.1	0	0	0	0	0	113.4	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.29Å; Y195-G199 PolarHBondContact O-N 3.34Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 2.85Å; G199-E201 PolarHBondContact O-N 3.45Å; G199-E201 VanDerWaalsContact O-N 3.14Å; G199-T202 PolarHBondContact O-N 2.77Å; G199-T202 PolarHBondContact O-OG1 3.08Å; G199-T202 VanDerWaalsContact O-OG1 3.12Å; G199-L203 WeakPolarHBondContact O-CB 3.37Å; G199-L203 PolarHBondContact O-N 3.37Å
200	K	93.1	Very high	94.7	Very high	110 Å²	110	70.3 Å²	70.3	48%	0.478	32%	0.322	S	S	.	.	H	α-helix	trans	-50.9	-42.5	-172.5	-177.3	172.7	-174.8	173.3	0	113.8	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CB 3.24Å; L196-K200 PolarHBondContact O-N 2.84Å; L196-K200 VanDerWaalsContact O-N 3.14Å; E197-K200 WeakPolarHBondContact O-CB 3.34Å; E197-K200 PolarHBondContact O-N 2.76Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 3.33Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 3.13Å
201	E	90.6	Very high	94.7	Very high	180 Å²	180	66 Å²	66	84%	0.841	30%	0.304	S	S	*	.	H	α-helix	trans	-65.9	-25.8	-179.4	-62.9	-175.2	167	0	0	113.6	G199	G199-E201 PolarHBondContact O-N 3.45Å; G199-E201 VanDerWaalsContact O-N 3.14Å
202	T	90.1	Very high	94.7	Very high	46 Å²	46	67.8 Å²	67.8	28%	0.282	31%	0.314	S	S	.	.	H	α-helix	trans	-108.2	-32.2	-176.1	55.2	0	0	0	0	114	G199 K200 R205	G199-T202 PolarHBondContact O-N 2.77Å; G199-T202 PolarHBondContact O-OG1 3.08Å; G199-T202 VanDerWaalsContact O-OG1 3.12Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 3.33Å; T202-R205 VanDerWaalsContact O-CG 3.31Å; T202-R205 WeakPolarHBondContact O-CG 3.42Å; T202-R205 PolarHBondContact O-NE 3.28Å
203	L	91.2	Very high	94.7	Very high	4 Å²	4	68.9 Å²	68.9	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-90.9	-31.9	-176.4	-63.5	173.3	0	0	0	112.6	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.12Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; W75-L203 HydrophobicContact CD2-CD1 4.46Å; W75-L203 HydrophobicContact CH2-CD1 4.38Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.11Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å; L196-L203 HydrophobicContact CD2-CB 4.14Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 WeakPolarHBondContact O-CB 3.37Å; G199-L203 PolarHBondContact O-N 3.37Å
204	Q	88.8	Confident	94.7	Very high	93 Å²	93	64.6 Å²	64.6	44%	0.435	31%	0.308	S	S	.	.	S	Bend	trans	-101.5	19.9	179	-56.5	178.7	32.5	0	0	112.2	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.89Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 3.13Å
205	R	89.8	Confident	94.6	Very high	85 Å²	85	61.4 Å²	61.4	32%	0.321	30%	0.298	S	S	.	.			trans	-92	147.3	170.2	74.1	-171.6	167.4	155.3	10.8	109.3	T202 E207 Y233	T202-R205 VanDerWaalsContact O-CG 3.31Å; T202-R205 WeakPolarHBondContact O-CG 3.42Å; T202-R205 PolarHBondContact O-NE 3.28Å; R205-E207 IonicContact CZ-OE1 3.31Å; R205-E207 IonicContact NE-OE1 2.89Å; R205-E207 IonicContact NH1-OE1 3.91Å; R205-E207 PolarHBondContact NH1-OE1 3.04Å; R205-E207 IonicContact NH2-OE1 3.56Å; R205-Y233 HydrophobicContact CG-CD1 4.2Å; R205-Y233 WeakPolarHBondContact O-CD1 3.31Å
206	A	92	Very high	94.5	Very high	38 Å²	38	65 Å²	65	31%	0.314	32%	0.315	S	S	.	.			trans	-117.5	120.6	163.8	0	0	0	0	0	108.5	Y233	A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å
207	E	94.2	Very high	94.4	Very high	62 Å²	62	69.1 Å²	69.1	29%	0.29	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-97.6	118.5	173.5	-66.6	-170.5	-152.5	0	0	108.5	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 3.31Å; R205-E207 IonicContact NE-OE1 2.89Å; R205-E207 IonicContact NH1-OE1 3.91Å; R205-E207 PolarHBondContact NH1-OE1 3.04Å; R205-E207 IonicContact NH2-OE1 3.56Å; E207-F232 WeakPolarHBondContact O-CA 3.36Å; E207-F232 WeakPolarHBondContact O-CB 3.4Å; E207-Y233 PolarHBondContact N-O 3.2Å; E207-Y233 PolarHBondContact O-N 2.93Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.35Å; E207-H287 PolarHBondContact O-CE1 2.89Å
208	H	95.1	Very high	94.2	Very high	95 Å²	95	67.6 Å²	67.6	44%	0.44	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-69.1	145.6	-178.3	-54	-102.2	0	0	0	111.8	K210 G289 L290	H208-K210 PolarHBondContact O-N 3.49Å; H208-G289 PolarHBondContact CE1-O 3.38Å; H208-G289 PolarHBondContact ND1-O 2.87Å; H208-L290 HydrophobicContact CB-CD2 4.08Å; H208-L290 WeakPolarHBondContact ND1-CA 3.17Å; H208-L290 PolarHBondContact ND1-N 3.42Å
209	P	97.6	Very high	94.1	Very high	8 Å²	8	67.7 Å²	67.7	5%	0.052	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-67.9	129.4	176.5	28.5	-34.9	0	0	0	111.7	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.39Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 4.11Å; P209-L290 HydrophobicContact CG-CD1 3.8Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.2Å
210	K	97.8	Very high	93.8	Very high	154 Å²	154	74.8 Å²	74.8	67%	0.67	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	112.3	163.2	-64.8	171.8	-172.2	165.3	0	107.7	H208 L230	H208-K210 PolarHBondContact O-N 3.49Å; K210-L230 PolarHBondContact N-O 2.85Å; K210-L230 PolarHBondContact O-N 3.25Å
211	T	97.8	Very high	93.8	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	-114.1	145.7	-171.7	57.4	0	0	0	0	112.6	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.9Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.39Å; T211-W228 WeakPolarHBondContact CA-O 3.44Å; T211-W228 WeakPolarHBondContact CB-O 3.49Å; T211-A229 HydrophobicContact CG2-CB 4.27Å; T211-V285 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CG1 4.17Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; T211-L294 HydrophobicContact CG2-CD1 4.41Å; T211-L296 VanDerWaalsContact CB-CD1 3.43Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.48Å
212	H	97.1	Very high	94	Very high	79 Å²	79	72.4 Å²	72.4	37%	0.366	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	160	172.8	62.3	-76.3	0	0	0	110.2	W228	H212-W228 AromaticContact CD2-CD1 3.98Å; H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.13Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.74Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.7Å; H212-W228 PolarHBondContact O-N 2.85Å
213	V	98.1	Very high	94.3	Very high	23 Å²	23	70.2 Å²	70.2	14%	0.139	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.9	176.3	-179.2	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.32Å; V213-L225 HydrophobicContact CG1-CD2 4.37Å; V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.44Å; V213-C227 HydrophobicContact CG2-CB 4.45Å; V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.3Å; V213-W241 HydrophobicContact CG2-CH2 4.32Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	96.8	Very high	94.6	Very high	33 Å²	33	71.1 Å²	71.1	20%	0.202	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	148.2	171.7	63.7	0	0	0	0	110.7	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 2.85Å; T214-L225 WeakPolarHBondContact O-CA 3.36Å; T214-R226 PolarHBondContact N-O 2.98Å; T214-R226 PolarHBondContact O-N 3.02Å; T214-W228 PolarHBondContact OG1-NE1 2.78Å
215	H	96.3	Very high	95	Very high	51 Å²	51	66.7 Å²	66.7	24%	0.236	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.3	178.8	169.4	-94.1	0	0	0	109.6	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.5Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-E278 IonicContact NE2-OE1 2.77Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 3.98Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact ND1-CZ2 3.89Å
216	H	95.2	Very high	95.5	Very high	78 Å²	78	65.2 Å²	65.2	36%	0.361	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	104.1	-178.6	-56.8	-69.6	0	0	0	109.3	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 2.85Å; H216-V218 PolarHBondContact O-N 2.98Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.31Å; H216-T224 PolarHBondContact N-O 2.04Å; H216-T224 PolarHBondContact O-N 3.36Å; H216-R226 PolarHBondContact CD2-NH1 2.7Å; H216-R226 PolarHBondContact NE2-NH1 3.08Å; H216-R226 VanDerWaalsContact NE2-NH1 3.14Å
217	P	94.2	Very high	95.8	Very high	99 Å²	99	63.4 Å²	63.4	64%	0.643	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	131.5	173.3	-20.4	30.7	0	0	0	110.7
218	V	91.8	Very high	96	Very high	94 Å²	94	62.8 Å²	62.8	57%	0.57	32%	0.32	S	S	*	.			trans	-105	-41.7	176	-179	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.98Å; V218-E222 PolarHBondContact N-O 3.2Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.28Å
219	S	92.4	Very high	96.1	Very high	53 Å²	53	58.2 Å²	58.2	37%	0.371	30%	0.299	S	S	.	.	S	Bend	trans	-147.6	-178.7	175	72.5	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 3.38Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.92Å; S219-E222 PolarHBondContact N-O 2.83Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.34Å
220	D	89.8	Confident	96.1	Very high	151 Å²	151	60.5 Å²	60.5	81%	0.807	31%	0.31	S	S	*	.	S	Bend	trans	-66.1	-10	172.7	-65.6	-20.9	0	0	0	113.4
221	H	93.2	Very high	96.1	Very high	144 Å²	144	54 Å²	54	67%	0.667	29%	0.287	S	S	*	.	S	Bend	trans	-115.8	-15.7	-175.8	-55.5	-44.6	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.38Å; S219-H221 VanDerWaalsContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.92Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.26Å; H221-S275 PolarHBondContact O-N 2.97Å
222	E	95.3	Very high	96.1	Very high	95 Å²	95	52.3 Å²	52.3	44%	0.444	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	144.3	-170.9	-66.6	179.7	169.9	0	0	112.1	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.2Å; S219-E222 PolarHBondContact N-O 2.83Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.34Å; E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; E222-V273 WeakPolarHBondContact CA-O 3.44Å; E222-S275 PolarHBondContact N-OG 3.09Å
223	A	96	Very high	96	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156.9	170.8	0	0	0	0	0	110.8	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.5Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.31Å; A223-V272 WeakPolarHBondContact O-CA 3.38Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 3.45Å; A223-V273 PolarHBondContact O-N 3.3Å
224	T	97.6	Very high	95.9	Very high	22 Å²	22	48.6 Å²	48.6	14%	0.135	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123	170.2	-55.1	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 2.04Å; H216-T224 PolarHBondContact O-N 3.36Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.28Å; T224-A270 HydrophobicContact CG2-CB 3.93Å; T224-V271 WeakPolarHBondContact CA-O 3.41Å
225	L	98	Very high	95.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.8	164.7	-63.3	-176.7	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.32Å; V213-L225 HydrophobicContact CG1-CD2 4.37Å; T214-L225 WeakPolarHBondContact O-CA 3.36Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; L225-W241 HydrophobicContact CG-CH2 4.5Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.49Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.15Å; L225-V271 PolarHBondContact O-N 3.07Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.96Å
226	R	98.3	Very high	95.8	Very high	54 Å²	54	52.3 Å²	52.3	20%	0.204	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	117.4	176.4	-176.4	179.5	-65.2	115.3	0.6	110.2	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.44Å; T214-R226 PolarHBondContact N-O 2.98Å; T214-R226 PolarHBondContact O-N 3.02Å; H216-R226 PolarHBondContact CD2-NH1 2.7Å; H216-R226 PolarHBondContact NE2-NH1 3.08Å; H216-R226 VanDerWaalsContact NE2-NH1 3.14Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-A269 WeakPolarHBondContact CA-O 3.46Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.16Å
227	C	98.3	Very high	95.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.6	174.6	-173.5	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.65Å; C227-W268 CarbonylContact O-C 3.47Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 WeakPolarHBondContact O-CB 3.31Å; C227-A269 PolarHBondContact N-O 3.19Å; C227-A269 PolarHBondContact O-N 2.89Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.22Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.49Å
228	W	98.4	Very high	96	Very high	49 Å²	49	47.1 Å²	47.1	19%	0.186	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.3	179.5	-69.7	89	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.44Å; T211-W228 WeakPolarHBondContact CB-O 3.49Å; H212-W228 AromaticContact CD2-CD1 3.98Å; H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.13Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.74Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.7Å; H212-W228 PolarHBondContact O-N 2.85Å; T214-W228 PolarHBondContact OG1-NE1 2.78Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å
229	A	98.4	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.3	162.4	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.27Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.14Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.15Å; A229-Q266 CarbonylContact O-C 3.53Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.35Å; A229-K267 PolarHBondContact N-O 3.31Å; A229-K267 PolarHBondContact O-N 3.38Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.2	Very high	96.5	Very high	55 Å²	55	42.2 Å²	42.2	29%	0.288	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.4	-175	-58.1	177.2	0	0	0	110.8	K210 W228 Q266	K210-L230 PolarHBondContact N-O 2.85Å; K210-L230 PolarHBondContact O-N 3.25Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231	G	97.3	Very high	96.9	Very high	18 Å²	18	35.1 Å²	35.1	19%	0.186	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.4	35.5	168.5	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.42Å; G231-F265 PolarHBondContact N-O 3.34Å
232	F	97.1	Very high	97.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	154.8	179.3	59.6	-90.8	0	0	0	112.5	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.36Å; E207-F232 WeakPolarHBondContact O-CB 3.4Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.17Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.14Å; F232-P234 WeakPolarHBondContact CD2-O 3.36Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 CarbonylContact O-C 3.57Å; F232-T264 WeakPolarHBondContact O-CA 3.45Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.42Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; 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 4.49Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 2.75Å; F232-F265 PolarHBondContact O-N 3.42Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.81Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	95.5	Very high	97.2	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.012	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-151.1	135.8	173.6	178.8	-84.4	0	0	0	108.8	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.05Å; T55-Y233 PolarHBondContact OG1-OH 3.14Å; R205-Y233 HydrophobicContact CG-CD1 4.2Å; R205-Y233 WeakPolarHBondContact O-CD1 3.31Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; E207-Y233 PolarHBondContact N-O 3.2Å; E207-Y233 PolarHBondContact O-N 2.93Å; Y233-G263 WeakPolarHBondContact CD2-O 3.33Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.02Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; Y233-H287 PolarHBondContact O-CE1 3.39Å
234	P	94.9	Very high	97.2	Very high	20 Å²	20	34.4 Å²	34.4	13%	0.13	18%	0.176	C	C	.	.	S	Bend	cis	-72	178.8	2.7	30.5	-36.6	0	0	0	113.3	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.34Å; F232-P234 WeakPolarHBondContact CD2-O 3.36Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.32Å; P234-H287 PolarHBondContact O-NE2 2.78Å
235	A	96.1	Very high	96.9	Very high	16 Å²	16	35.7 Å²	35.7	13%	0.132	19%	0.193	C	C	.	.	S	Bend	trans	-70.1	-24.7	-175.7	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.31Å; D54-A235 WeakPolarHBondContact OD2-CB 3.34Å; D54-A235 PolarHBondContact OD2-N 3.28Å; A235-I237 PolarHBondContact O-N 2.95Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.3	Very high	96.7	Very high	146 Å²	146	42 Å²	42	68%	0.682	22%	0.222	S	C	*	.			trans	-64.8	116.2	179.6	-171.4	58.4	-143.2	0	0	110.2	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.32Å; E236-H287 PolarHBondContact O-CD2 3.41Å
237	I	96.3	Very high	96.6	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.051	24%	0.238	C	C	.	.			trans	-152.1	141.8	-178.1	-164.8	169.8	0	0	0	109.7	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.75Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 2.95Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; I237-H287 HydrophobicContact CD1-CB 4.23Å; I237-H287 HydrophobicContact CG1-CB 4.01Å
238	T	97.1	Very high	96.4	Very high	59 Å²	59	45 Å²	45	36%	0.362	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.1	174.2	-63	0	0	0	0	110.3	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.01Å; T238-V285 WeakPolarHBondContact O-CA 3.23Å; T238-Q286 PolarHBondContact N-O 2.95Å; T238-Q286 PolarHBondContact O-N 2.83Å
239	L	97.8	Very high	96	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.8	172.5	-87	63	0	0	0	108.4	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.15Å; I237-L239 HydrophobicContact CB-CD1 4.47Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.61Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; L239-L254 HydrophobicContact CB-CD1 4.16Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; L239-H284 WeakPolarHBondContact CA-O 3.38Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240	T	97.5	Very high	95.5	Very high	38 Å²	38	56.8 Å²	56.8	23%	0.233	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.8	178.6	49.8	0	0	0	0	110.9	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.01Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; T240-H284 PolarHBondContact N-O 3.01Å; T240-H284 PolarHBondContact O-N 3.41Å; T240-H284 WeakPolarHBondContact OG1-CB 3.47Å
241	W	98.1	Very high	94.9	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.9	170.5	-83.2	103.8	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.3Å; V213-W241 HydrophobicContact CG2-CH2 4.32Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; L225-W241 HydrophobicContact CG-CH2 4.5Å; C227-W241 HydrophobicContact CB-CZ2 3.65Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.47Å; W241-A269 PolarHBondContact NE1-O 2.81Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG2 3.6Å; W241-V271 HydrophobicContact CE3-CG2 3.99Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.6Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.47Å; W241-T282 WeakPolarHBondContact CA-O 3.47Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.11Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.04Å
242	Q	97.8	Very high	94.8	Very high	43 Å²	43	60 Å²	60	20%	0.201	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.8	171.9	-68.8	-173.6	-6.9	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.37Å; Q242-D247 VanDerWaalsContact CG-OD1 3.24Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.47Å; Q242-D247 PolarHBondContact NE2-OD1 3.47Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.04Å; Q242-T282 PolarHBondContact N-O 3Å; Q242-T282 PolarHBondContact O-N 3.12Å; Q242-H284 PolarHBondContact OE1-NE2 3.42Å
243	R	97.3	Very high	94.8	Very high	81 Å²	81	65.5 Å²	65.5	31%	0.306	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.7	167.9	-174.9	-177.5	72.7	-172.4	-4	108.5	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.41Å; R243-E246 PolarHBondContact N-O 3.15Å; R243-E246 PolarHBondContact O-N 3.12Å; R243-Q248 HydrophobicContact CB-CG 4.04Å; R243-R280 WeakPolarHBondContact CA-O 3.43Å; R243-R280 HydrophobicContact CG-CB 4.28Å; R243-Y281 HydrophobicContact CB-CD1 4.14Å; R243-Y281 HydrophobicContact CB-CE1 3.95Å; R243-Y281 WeakPolarHBondContact CD-OH 3.06Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.17Å; R243-Y281 HydrophobicContact CG-CE2 4.04Å
244	D	95.3	Very high	94.8	Very high	101 Å²	101	69.6 Å²	69.6	54%	0.54	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	30.1	-175.3	-54.1	-47.5	0	0	0	114.2	R280	D244-R280 PolarHBondContact N-O 2.94Å; D244-R280 IonicContact OD1-NE 2.85Å; D244-R280 PolarHBondContact OD1-NE 3.28Å; D244-R280 IonicContact OD2-CZ 3.29Å; D244-R280 IonicContact OD2-NE 3.24Å; D244-R280 PolarHBondContact OD2-NE 3.23Å; D244-R280 IonicContact OD2-NH2 3.34Å; D244-R280 PolarHBondContact OD2-NH2 2.85Å
245	G	91.4	Very high	94.9	Very high	49 Å²	49	70.3 Å²	70.3	51%	0.505	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-0	-177.5	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.41Å
246	E	95.3	Very high	94.9	Very high	131 Å²	131	77.8 Å²	77.8	61%	0.612	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.3	175.6	-63.2	-174.1	164.9	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.37Å; R243-E246 PolarHBondContact N-O 3.15Å; R243-E246 PolarHBondContact O-N 3.12Å; E246-Q248 PolarHBondContact O-NE2 2.96Å
247	D	95.1	Very high	95	Very high	99 Å²	99	73 Å²	73	53%	0.529	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	136.2	-180	-68.2	-23.8	0	0	0	112.6	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.24Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.47Å; Q242-D247 PolarHBondContact NE2-OD1 3.47Å
248	Q	94.9	Very high	95.1	Very high	19 Å²	19	77.3 Å²	77.3	9%	0.089	40%	0.4	C	S	.	.			trans	-107.3	34.3	-177.3	-58.2	-59.4	-66.3	0	0	112.4	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.47Å; R243-Q248 HydrophobicContact CB-CG 4.04Å; E246-Q248 PolarHBondContact O-NE2 2.96Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.81Å; Q248-Q250 VanDerWaalsContact O-N 3.16Å; Q248-D251 PolarHBondContact O-N 3.07Å; Q248-D251 VanDerWaalsContact O-N 3.14Å; Q248-T252 WeakPolarHBondContact O-CB 3.31Å; Q248-T252 PolarHBondContact O-N 3Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 2.82Å; Q248-V271 HydrophobicContact CB-CG1 4.43Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å
249	T	88.6	Confident	95.1	Very high	106 Å²	106	78.8 Å²	78.8	65%	0.65	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.9	-169.3	-46.6	0	0	0	0	114.2
250	Q	88.4	Confident	95	Very high	191 Å²	191	80.9 Å²	80.9	89%	0.893	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-31.8	-178.8	-66.4	-174.9	5.7	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 2.81Å; Q248-Q250 VanDerWaalsContact O-N 3.16Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	86.6	Confident	94.8	Very high	116 Å²	116	82.7 Å²	82.7	62%	0.62	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	1.8	-177.7	-58	-49.1	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 3.07Å; Q248-D251 VanDerWaalsContact O-N 3.14Å
252	T	94.6	Very high	94.6	Very high	23 Å²	23	88 Å²	88	14%	0.141	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.9	179.7	-61.6	0	0	0	0	110.8	Q248 Q250 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.31Å; Q248-T252 PolarHBondContact O-N 3Å; Q248-T252 VanDerWaalsContact O-N 3.07Å; Q248-T252 PolarHBondContact O-OG1 2.82Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.2Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 WeakPolarHBondContact CA-O 2.96Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.26Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.33Å
253	E	96.6	Very high	94.2	Very high	116 Å²	116	87.9 Å²	87.9	54%	0.542	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	106.5	163	-173.7	-174.5	-172.2	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.42Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.42Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.45Å; E253-A270 PolarHBondContact O-N 3.17Å
254	L	96.7	Very high	94.2	Very high	90 Å²	90	84.3 Å²	84.3	47%	0.471	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.5	178.1	-174	68.4	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.16Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.2Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
255	V	96.4	Very high	94.3	Very high	35 Å²	35	80.8 Å²	80.8	21%	0.212	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-83.6	153.3	174.9	-64.7	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CG 3.27Å; V255-K267 PolarHBondContact O-NZ 2.9Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.47Å; V255-W268 PolarHBondContact N-O 2.89Å
256	E	96.5	Very high	94.7	Very high	173 Å²	173	80.6 Å²	80.6	81%	0.808	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-57.6	147.5	167.5	-67.9	-175.3	173	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 2.9Å
257	T	97.7	Very high	94.8	Very high	46 Å²	46	75.3 Å²	75.3	28%	0.282	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-67.5	129.8	174.7	-56.4	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.06Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 2.7Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
258	R	97.3	Very high	95	Very high	99 Å²	99	71.9 Å²	71.9	37%	0.374	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.9	-174.4	68.6	-168	-179	-171.5	3.1	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.9Å; R258-F265 WeakPolarHBondContact O-CA 3.33Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.43Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 3.03Å
259	P	97.1	Very high	95.1	Very high	90 Å²	90	71 Å²	71	58%	0.584	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.8	178.3	28.5	-34.6	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.31Å
260	A	96.5	Very high	95.6	Very high	50 Å²	50	66 Å²	66	41%	0.413	37%	0.368	S	S	.	.			trans	-87.9	-19	173.3	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.41Å; A260-T264 WeakPolarHBondContact CB-O 3.15Å; A260-T264 PolarHBondContact N-O 2.93Å
261	G	93.1	Very high	96	Very high	76 Å²	76	57.1 Å²	57.1	78%	0.784	33%	0.326	S	S	*	.	S	Bend	trans	97.5	-7.2	178.9	0	0	0	0	0	114.9
262	D	92.5	Very high	96.5	Very high	115 Å²	115	55.4 Å²	55.4	62%	0.615	32%	0.32	S	S	*	.	S	Bend	trans	-105	11.9	176.2	60.2	2.3	0	0	0	113	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.41Å; D262-T264 WeakPolarHBondContact OD1-CB 3.35Å; D262-T264 PolarHBondContact OD1-N 2.91Å; D262-T264 PolarHBondContact OD1-OG1 2.98Å
263	G	91.4	Very high	96.6	Very high	40 Å²	40	54.3 Å²	54.3	41%	0.412	31%	0.313	S	S	.	.	S	Bend	trans	90.5	-2.7	-174	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.33Å
264	T	96.3	Very high	96.6	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.037	30%	0.302	C	S	.	.			trans	-103.6	173.4	174.3	74.1	0	0	0	0	112.4	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.35Å; G231-T264 WeakPolarHBondContact CA-OG1 3.42Å; F232-T264 CarbonylContact O-C 3.57Å; F232-T264 WeakPolarHBondContact O-CA 3.45Å; A260-T264 WeakPolarHBondContact CB-O 3.15Å; A260-T264 PolarHBondContact N-O 2.93Å; D262-T264 WeakPolarHBondContact OD1-CB 3.35Å; D262-T264 PolarHBondContact OD1-N 2.91Å; D262-T264 PolarHBondContact OD1-OG1 2.98Å
265	F	97.9	Very high	96.4	Very high	27 Å²	27	49.5 Å²	49.5	12%	0.118	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	163.3	-177.7	-64.2	-87	0	0	0	112.3	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.71Å; G231-F265 PolarHBondContact N-O 3.34Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.42Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; 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 4.49Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 2.75Å; F232-F265 PolarHBondContact O-N 3.42Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.02Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.75Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.33Å; P259-F265 HydrophobicContact CB-CE1 4.31Å
266	Q	98.2	Very high	96.2	Very high	44 Å²	44	51 Å²	51	21%	0.206	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.4	174.6	43.3	167.4	-22.9	0	0	110	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.53Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.35Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.43Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 3.03Å
267	K	98.5	Very high	96.1	Very high	21 Å²	21	45.8 Å²	45.8	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.3	177.2	-162.7	-176.1	-171.5	70.1	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.31Å; A229-K267 PolarHBondContact O-N 3.38Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CG 3.27Å; V255-K267 PolarHBondContact O-NZ 2.9Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 2.7Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
268	W	98.3	Very high	96	Very high	26 Å²	26	44.5 Å²	44.5	10%	0.098	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.5	169	59.2	-98.1	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.87Å; R226-W268 HydrophobicContact CG-CG 4.2Å; C227-W268 CarbonylContact O-C 3.47Å; C227-W268 WeakPolarHBondContact O-CA 3.43Å; C227-W268 WeakPolarHBondContact O-CB 3.31Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.18Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.1Å; E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.42Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.29Å; V255-W268 HydrophobicContact CG1-CH2 3.58Å; V255-W268 HydrophobicContact CG1-CZ2 3.18Å; V255-W268 HydrophobicContact CG1-CZ3 4.1Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.47Å; V255-W268 PolarHBondContact N-O 2.89Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
269	A	98.3	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.8	174.5	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.46Å; C227-A269 PolarHBondContact N-O 3.19Å; C227-A269 PolarHBondContact O-N 2.89Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; W241-A269 PolarHBondContact NE1-O 2.81Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.42Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
270	A	98	Very high	95.9	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.017	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.4	-179.5	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.93Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.49Å; R226-A270 HydrophobicContact CB-CB 4.09Å; R226-A270 HydrophobicContact CG-CB 4.16Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 WeakPolarHBondContact CA-O 2.96Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 3.45Å; E253-A270 PolarHBondContact O-N 3.17Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.64Å
271	V	97.8	Very high	95.9	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.4	174.4	-73	0	0	0	0	109.5	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.41Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.15Å; L225-V271 PolarHBondContact O-N 3.07Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CB-CG2 4.45Å; W241-V271 HydrophobicContact CD2-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG2 3.6Å; W241-V271 HydrophobicContact CE3-CG2 3.99Å; W241-V271 HydrophobicContact CG-CB 4.37Å; W241-V271 HydrophobicContact CG-CG1 3.6Å; W241-V271 HydrophobicContact CG-CG2 3.83Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.47Å; Q248-V271 HydrophobicContact CB-CG1 4.43Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.26Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.33Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V271-Y281 HydrophobicContact CG2-CD1 4.03Å; V271-Y281 HydrophobicContact CG2-CE1 4.43Å
272	V	97.3	Very high	96.2	Very high	80 Å²	80	39.4 Å²	39.4	49%	0.485	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.2	168.3	-178.1	0	0	0	0	107.8	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; A223-V272 WeakPolarHBondContact O-CA 3.38Å
273	V	96.6	Very high	96.4	Very high	1 Å²	1	34 Å²	34	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.1	-175.8	-52.1	0	0	0	0	110.2	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.44Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 3.45Å; A223-V273 PolarHBondContact O-N 3.3Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 4.04Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.3	Very high	96.7	Very high	48 Å²	48	33.5 Å²	33.5	31%	0.312	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	140.8	170.5	-20.3	32.4	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.26Å; P274-G276 PolarHBondContact O-N 3.44Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.46Å; P274-E277 PolarHBondContact O-N 3.09Å
275	S	92.7	Very high	96.8	Very high	57 Å²	57	33.2 Å²	33.2	40%	0.399	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	128.6	176.6	-63.1	0	0	0	0	111.1	H221 E222 E278	H221-S275 PolarHBondContact O-N 2.97Å; E222-S275 PolarHBondContact N-OG 3.09Å; S275-E278 WeakPolarHBondContact CA-OE1 3.49Å
276	G	91.7	Very high	96.8	Very high	66 Å²	66	36.2 Å²	36.2	68%	0.68	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.5	-8.2	-176.1	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.44Å; G276-E278 WeakPolarHBondContact CA-OE2 3.34Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.22Å; G276-E278 PolarHBondContact N-OE2 3.1Å
277	E	95.4	Very high	96.6	Very high	63 Å²	63	34.4 Å²	34.4	29%	0.294	19%	0.19	S	C	.	.			trans	-99.1	3.4	176	-65	-163.2	-164.9	0	0	113.5	P274 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.46Å; P274-E277 PolarHBondContact O-N 3.09Å; E277-Q279 PolarHBondContact O-N 2.84Å; E277-R280 VanDerWaalsContact CD-NH1 3.3Å; E277-R280 WeakPolarHBondContact O-CB 3.25Å; E277-R280 PolarHBondContact O-N 3.42Å; E277-R280 IonicContact OE1-NH1 3.6Å; E277-R280 IonicContact OE2-CZ 3.13Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 3.49Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.28Å
278	E	95	Very high	96.3	Very high	20 Å²	20	36.8 Å²	36.8	9%	0.093	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57.1	-32.6	-171.1	-57.5	81.8	-179.7	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 2.77Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.49Å; G276-E278 WeakPolarHBondContact CA-OE2 3.34Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.22Å; G276-E278 PolarHBondContact N-OE2 3.1Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.98Å; E278-Y281 PolarHBondContact O-N 3.37Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.72Å
279	Q	95.3	Very high	95.9	Very high	88 Å²	88	36.1 Å²	36.1	41%	0.411	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-73.5	-14.6	-179.3	-63.2	-57.6	-47	0	0	114.3	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 2.84Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 2.94Å
280	R	96.5	Very high	95.7	Very high	99 Å²	99	36.6 Å²	36.6	37%	0.374	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-77.3	-16.8	173	-63	173.8	66.5	-176.6	6.2	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.43Å; R243-R280 HydrophobicContact CG-CB 4.28Å; D244-R280 PolarHBondContact N-O 2.94Å; D244-R280 IonicContact OD1-NE 2.85Å; D244-R280 PolarHBondContact OD1-NE 3.28Å; D244-R280 IonicContact OD2-CZ 3.29Å; D244-R280 IonicContact OD2-NE 3.24Å; D244-R280 PolarHBondContact OD2-NE 3.23Å; D244-R280 IonicContact OD2-NH2 3.34Å; D244-R280 PolarHBondContact OD2-NH2 2.85Å; E277-R280 VanDerWaalsContact CD-NH1 3.3Å; E277-R280 WeakPolarHBondContact O-CB 3.25Å; E277-R280 PolarHBondContact O-N 3.42Å; E277-R280 IonicContact OE1-NH1 3.6Å; E277-R280 IonicContact OE2-CZ 3.13Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 3.49Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.98Å
281	Y	97.5	Very high	95.3	Very high	9 Å²	9	42.1 Å²	42.1	4%	0.035	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.2	-177.3	-69.7	-100.8	0	0	0	111.1	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.04Å; R243-Y281 HydrophobicContact CB-CD1 4.14Å; R243-Y281 HydrophobicContact CB-CE1 3.95Å; R243-Y281 WeakPolarHBondContact CD-OH 3.06Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.17Å; R243-Y281 HydrophobicContact CG-CE2 4.04Å; Q248-Y281 HydrophobicContact CG-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.03Å; V271-Y281 HydrophobicContact CG2-CE1 4.43Å; V273-Y281 HydrophobicContact CB-CD2 4.04Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.62Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.28Å; E278-Y281 PolarHBondContact O-N 3.37Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	97.9	Very high	95.1	Very high	12 Å²	12	49.1 Å²	49.1	7%	0.074	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.7	175.5	47.3	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.47Å; W241-T282 VanDerWaalsContact CE3-C 3.42Å; Q242-T282 PolarHBondContact N-O 3Å; Q242-T282 PolarHBondContact O-N 3.12Å; T282-H284 PolarHBondContact OG1-NE2 3.15Å; T282-T295 HydrophobicContact CG2-CG2 3.96Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.47Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; T282-R297 VanDerWaalsContact CG2-NE 3.29Å
283	C	98.1	Very high	94.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.7	169.9	174.5	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.22Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.49Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.11Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.04Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.03Å; C283-L296 PolarHBondContact O-N 3.28Å
284	H	97.8	Very high	94.9	Very high	31 Å²	31	51.4 Å²	51.4	14%	0.144	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.2	176.6	-63.3	-101.8	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.38Å; T240-H284 PolarHBondContact N-O 3.01Å; T240-H284 PolarHBondContact O-N 3.41Å; T240-H284 WeakPolarHBondContact OG1-CB 3.47Å; Q242-H284 PolarHBondContact OE1-NE2 3.42Å; T282-H284 PolarHBondContact OG1-NE2 3.15Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; H284-T295 PolarHBondContact CE1-OG1 3.07Å; H284-T295 PolarHBondContact ND1-OG1 3.08Å
285	V	97.9	Very high	95	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.2	-178	-174.3	0	0	0	0	109.3	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CG1 4.17Å; T211-V285 HydrophobicContact CG2-CG2 4.08Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; T238-V285 WeakPolarHBondContact O-CA 3.23Å; L239-V285 HydrophobicContact CD1-CG1 4.07Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; V285-P293 WeakPolarHBondContact O-CA 3.34Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.05Å; V285-L294 PolarHBondContact O-N 3.42Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
286	Q	96.9	Very high	95.2	Very high	89 Å²	89	52.1 Å²	52.1	42%	0.416	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.1	173.9	-56.4	178.5	18.8	0	0	109.1	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.38Å; T238-Q286 PolarHBondContact N-O 2.95Å; T238-Q286 PolarHBondContact O-N 2.83Å; Q286-P293 HydrophobicContact CG-CB 3.96Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
287	H	95.3	Very high	95.4	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.028	28%	0.279	C	S	.	.			trans	-159.2	141.6	-176.5	-177.5	-99.6	0	0	0	108.6	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.4Å; W23-H287 VanDerWaalsContact CZ2-O 3.27Å; W23-H287 WeakPolarHBondContact CZ2-O 3.26Å; E207-H287 PolarHBondContact O-CE1 2.89Å; P209-H287 HydrophobicContact CG-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.81Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 3.39Å; P234-H287 PolarHBondContact O-NE2 2.78Å; E236-H287 PolarHBondContact O-CD2 3.41Å; I237-H287 HydrophobicContact CD1-CB 4.23Å; I237-H287 HydrophobicContact CG1-CB 4.01Å; H287-G289 PolarHBondContact CE1-N 2.9Å; H287-G289 PolarHBondContact ND1-N 2.86Å; H287-G289 PolarHBondContact O-N 3.42Å; H287-L290 HydrophobicContact CB-CD1 4.02Å; H287-L290 HydrophobicContact CB-CG 4.28Å; H287-L290 WeakPolarHBondContact O-CB 3.49Å; H287-L290 PolarHBondContact O-N 3.25Å
288	E	91.1	Very high	95.4	Very high	72 Å²	72	55 Å²	55	34%	0.336	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-18.8	-179.5	-168.9	-175	137.9	0	0	114.3	W23 C25	W23-E288 HydrophobicContact CE3-CG 4.13Å; W23-E288 VanDerWaalsContact CH2-O 3.31Å; W23-E288 WeakPolarHBondContact CH2-O 3.16Å; W23-E288 VanDerWaalsContact CZ3-CA 3.47Å; W23-E288 HydrophobicContact CZ3-CB 4.46Å; W23-E288 HydrophobicContact CZ3-CG 4.25Å; W23-E288 WeakPolarHBondContact CZ3-O 3.42Å; C25-E288 PolarHBondContact SG-OE1 3.35Å
289	G	90.6	Very high	95.1	Very high	12 Å²	12	62 Å²	62	12%	0.124	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-49.3	167.8	0	0	0	0	0	110.7	H208 H287	H208-G289 PolarHBondContact CE1-O 3.38Å; H208-G289 PolarHBondContact ND1-O 2.87Å; H287-G289 PolarHBondContact CE1-N 2.9Å; H287-G289 PolarHBondContact ND1-N 2.86Å; H287-G289 PolarHBondContact O-N 3.42Å
290	L	93.3	Very high	94.4	Very high	10 Å²	10	61.6 Å²	61.6	5%	0.052	31%	0.311	C	S	.	.			trans	-75.3	118.4	-161.9	-65.2	168.2	0	0	0	114.5	W23 H208 P209 V285 H287 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.42Å; W23-L290 WeakPolarHBondContact CZ2-O 3.34Å; H208-L290 HydrophobicContact CB-CD2 4.08Å; H208-L290 WeakPolarHBondContact ND1-CA 3.17Å; H208-L290 PolarHBondContact ND1-N 3.42Å; P209-L290 HydrophobicContact CG-CD1 3.8Å; P209-L290 HydrophobicContact CG-CD2 4.47Å; P209-L290 HydrophobicContact CG-CG 4.2Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; H287-L290 HydrophobicContact CB-CD1 4.02Å; H287-L290 HydrophobicContact CB-CG 4.28Å; H287-L290 WeakPolarHBondContact O-CB 3.49Å; H287-L290 PolarHBondContact O-N 3.25Å; L290-E292 WeakPolarHBondContact CB-O 3.45Å; L290-E292 PolarHBondContact O-N 3.35Å; L290-L294 HydrophobicContact CD1-CD1 3.93Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CD2 4.42Å; L290-L294 HydrophobicContact CD2-CG 3.85Å; L290-L294 HydrophobicContact CG-CD1 4.45Å; L290-L294 HydrophobicContact CG-CG 4.44Å
291	P	91	Very high	92.9	Very high	117 Å²	117	61.8 Å²	61.8	76%	0.76	33%	0.328	S	S	*	.	S	Bend	trans	-58	-29.3	-179.8	26.2	-35.9	0	0	0	113.2
292	E	92.3	Very high	90.6	Very high	151 Å²	151	66.8 Å²	66.8	71%	0.706	36%	0.364	S	S	*	.	S	Bend	trans	-138.7	149.8	171.2	-65.4	-177.3	177	0	0	109.8	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.45Å; L290-E292 PolarHBondContact O-N 3.35Å; E292-L294 PolarHBondContact O-N 3.14Å
293	P	94.9	Very high	88.2	Confident	69 Å²	69	73.8 Å²	73.8	45%	0.448	40%	0.396	S	S	.	.			trans	-53.6	135.7	173.3	-27.4	36.2	0	0	0	112.7	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.34Å; Q286-P293 HydrophobicContact CG-CB 3.96Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
294	L	96.6	Very high	85.6	Confident	60 Å²	60	79.1 Å²	79.1	31%	0.314	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	140.3	175	-64.4	178.3	0	0	0	110.5	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.41Å; H284-L294 CarbonylContact C-O 3.59Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; V285-L294 HydrophobicContact CB-CB 4.33Å; V285-L294 PolarHBondContact N-O 3.05Å; V285-L294 PolarHBondContact O-N 3.42Å; L290-L294 HydrophobicContact CD1-CD1 3.93Å; L290-L294 HydrophobicContact CD1-CG 3.84Å; L290-L294 HydrophobicContact CD2-CD1 3.63Å; L290-L294 HydrophobicContact CD2-CD2 4.42Å; L290-L294 HydrophobicContact CD2-CG 3.85Å; L290-L294 HydrophobicContact CG-CD1 4.45Å; L290-L294 HydrophobicContact CG-CG 4.44Å; E292-L294 PolarHBondContact O-N 3.14Å
295	T	97.5	Very high	83.4	Confident	85 Å²	85	84.1 Å²	84.1	52%	0.521	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.1	170.3	-56.6	0	0	0	0	108.7	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.96Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; H284-T295 PolarHBondContact CE1-OG1 3.07Å; H284-T295 PolarHBondContact ND1-OG1 3.08Å
296	L	96.9	Very high	81.5	Confident	35 Å²	35	89.3 Å²	89.3	18%	0.183	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.4	-174.1	-60.9	155	0	0	0	110	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.43Å; T211-L296 HydrophobicContact CG2-CD1 4.14Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.48Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; T282-L296 CarbonylContact C-O 3.57Å; T282-L296 WeakPolarHBondContact CA-O 3.47Å; C283-L296 HydrophobicContact CB-CB 4.29Å; C283-L296 PolarHBondContact N-O 3.03Å; C283-L296 PolarHBondContact O-N 3.28Å; V285-L296 HydrophobicContact CG2-CD1 3.98Å
297	R	95.9	Very high	79.5	Confident	142 Å²	142	89.3 Å²	89.3	54%	0.536	50%	0.498	S	S	.	.			trans	-119.4	160.8	167.7	-71.3	-176	176.2	172.2	-1.3	109.3	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.64Å; T282-R297 VanDerWaalsContact CG2-NE 3.29Å; R297-E299 PolarHBondContact O-N 3.24Å
298	W	95.6	Very high	77.8	Confident	47 Å²	47	94.9 Å²	94.9	18%	0.178	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-69.7	122.6	168.2	170.6	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 3.85Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 HydrophobicContact CB-CG 4.13Å; H215-W298 HydrophobicContact CB-CZ2 3.98Å; H215-W298 VanDerWaalsContact CB-NE1 3.25Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact ND1-CZ2 3.89Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.36Å; L225-W298 HydrophobicContact CD2-CG 3.96Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.72Å; Q279-W298 PolarHBondContact NE2-O 2.94Å; W298-P300 HydrophobicContact CE3-CG 4.47Å; W298-P300 HydrophobicContact CH2-CB 4.36Å; W298-P300 HydrophobicContact CH2-CG 3.98Å; W298-P300 HydrophobicContact CZ2-CB 4.11Å; W298-P300 HydrophobicContact CZ2-CG 4.08Å; W298-P300 HydrophobicContact CZ3-CG 4.18Å
299	E	89.2	Confident	76.4	Confident	167 Å²	167	97.3 Å²	97.3	78%	0.78	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-101.6	120	170.2	-70.8	-177.1	174.2	0	0	109.3	R297 S301	R297-E299 PolarHBondContact O-N 3.24Å; E299-S301 PolarHBondContact O-N 2.69Å
300	P	80.1	Confident	75.1	Confident	81 Å²	81	98.9 Å²	98.9	53%	0.526	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-58.6	127.4	171.6	-20.3	31	0	0	0	109	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.47Å; W298-P300 HydrophobicContact CH2-CB 4.36Å; W298-P300 HydrophobicContact CH2-CG 3.98Å; W298-P300 HydrophobicContact CZ2-CB 4.11Å; W298-P300 HydrophobicContact CZ2-CG 4.08Å; W298-P300 HydrophobicContact CZ3-CG 4.18Å; P300-S302 PolarHBondContact O-N 2.87Å
301	S	64.1	Low	74	Confident	103 Å²	103	103 Å²	103	72%	0.72	58%	0.583	S	S	*	*			trans	-58.5	112.8	-177.7	77.9	0	0	0	0	109.7	E299 Q303	E299-S301 PolarHBondContact O-N 2.69Å; S301-Q303 PolarHBondContact O-N 3.23Å
302	S	49	Very low	73.2	Confident	113 Å²	113	101.7 Å²	101.7	79%	0.79	57%	0.572	S	S	*	*			trans	-75.3	76.5	165.7	57	0	0	0	0	107.6	P300 P304	P300-S302 PolarHBondContact O-N 2.87Å; S302-P304 VanDerWaalsContact O-CD 3.22Å; S302-P304 WeakPolarHBondContact O-CD 3.47Å; S302-P304 VanDerWaalsContact O-N 3.17Å
303	Q	47.8	Very low	72.3	Confident	160 Å²	160	97 Å²	97	75%	0.748	56%	0.56	S	S	*	*			trans	-60.6	118	157.8	-79.8	-170.8	-15.2	0	0	105.6	S301 T305	S301-Q303 PolarHBondContact O-N 3.23Å; Q303-T305 PolarHBondContact O-N 3.06Å
304	P	44.2	Very low	71.5	Confident	112 Å²	112	95.4 Å²	95.4	73%	0.727	56%	0.555	S	S	*	*			trans	-60	112.6	171	24.9	-30.1	0	0	0	105.4	S302 I306	S302-P304 VanDerWaalsContact O-CD 3.22Å; S302-P304 WeakPolarHBondContact O-CD 3.47Å; S302-P304 VanDerWaalsContact O-N 3.17Å; P304-I306 PolarHBondContact O-N 3.24Å
305	T	52.1	Low	70.9	Confident	135 Å²	135	97.7 Å²	97.7	83%	0.828	57%	0.568	S	S	*	*			trans	-62.9	92.4	167.4	-40.5	0	0	0	0	104.7	Q303 P307	Q303-T305 PolarHBondContact O-N 3.06Å; T305-P307 WeakPolarHBondContact O-CD 3.45Å
306	I	56.3	Low	70.1	Confident	109 Å²	109	96.2 Å²	96.2	56%	0.559	56%	0.564	S	S	*	*			trans	-49.7	119.9	168.5	-63.5	174.2	0	0	0	103.8	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.24Å; I306-I308 PolarHBondContact O-N 2.98Å; I306-I311 HydrophobicContact CG2-CD1 3.9Å
307	P	55.8	Low	69.4	Low	90 Å²	90	98.7 Å²	98.7	58%	0.584	58%	0.58	S	S	*	*			trans	-72.4	85.1	-175.4	28	-32.2	0	0	0	107	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.45Å; P307-V309 PolarHBondContact O-N 3.3Å; P307-V309 VanDerWaalsContact O-N 3.11Å; P307-G310 PolarHBondContact O-N 3.49Å; P307-I311 PolarHBondContact O-N 3.23Å
308	I	60.5	Low	68.8	Low	123 Å²	123	97.4 Å²	97.4	63%	0.631	58%	0.583	S	S	*	*	H	α-helix	trans	-53.6	-33	176.7	-65.1	171.4	0	0	0	108.8	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.98Å; I308-G310 PolarHBondContact O-N 2.88Å; I308-I311 PolarHBondContact O-N 3.29Å; I308-V312 HydrophobicContact CG2-CG2 4.21Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.02Å; I308-V312 PolarHBondContact O-N 3.46Å
309	V	60.1	Low	68.2	Low	122 Å²	122	97.8 Å²	97.8	74%	0.739	60%	0.597	S	S	*	*	H	α-helix	trans	-60.4	-40.4	173.8	179.8	0	0	0	0	112.8	P307 A313	P307-V309 PolarHBondContact O-N 3.3Å; P307-V309 VanDerWaalsContact O-N 3.11Å; V309-A313 VanDerWaalsContact O-CB 3.26Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 3.22Å
310	G	63.4	Low	68	Low	45 Å²	45	94 Å²	94	46%	0.464	59%	0.585	S	S	.	*	H	α-helix	trans	-69.2	-37.7	179.5	0	0	0	0	0	112.7	P307 I308 G314	P307-G310 PolarHBondContact O-N 3.49Å; I308-G310 PolarHBondContact O-N 2.88Å; G310-G314 PolarHBondContact O-N 3.29Å
311	I	71.7	Confident	68.1	Low	96 Å²	96	95 Å²	95	49%	0.492	59%	0.585	S	S	.	*	H	α-helix	trans	-69.9	-44.1	176.5	-61.3	174.2	0	0	0	110.4	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.9Å; P307-I311 PolarHBondContact O-N 3.23Å; I308-I311 PolarHBondContact O-N 3.29Å; I311-G314 PolarHBondContact O-N 2.99Å; I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 WeakPolarHBondContact O-CB 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.17Å; I311-L315 PolarHBondContact O-N 2.92Å
312	V	73.2	Confident	68.9	Low	90 Å²	90	93.2 Å²	93.2	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-65.2	-42.5	178.3	173	0	0	0	0	111.4	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.21Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.02Å; I308-V312 PolarHBondContact O-N 3.46Å; V312-L315 PolarHBondContact O-N 2.6Å; V312-A316 WeakPolarHBondContact O-CB 3.35Å; V312-A316 PolarHBondContact O-N 3.27Å
313	A	72.8	Confident	70.5	Confident	54 Å²	54	92.3 Å²	92.3	45%	0.446	57%	0.566	S	S	.	*	H	α-helix	trans	-63.8	-42.9	175.2	0	0	0	0	0	111.9	V309 L315 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.26Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 3.22Å; A313-L315 PolarHBondContact O-N 3.49Å; A313-A316 PolarHBondContact O-N 2.92Å; A313-V317 WeakPolarHBondContact O-CG2 3.36Å; A313-V317 PolarHBondContact O-N 3.46Å
314	G	78.3	Confident	72.1	Confident	34 Å²	34	89.5 Å²	89.5	35%	0.351	56%	0.556	S	S	.	*	H	α-helix	trans	-61.5	-43	176.5	0	0	0	0	0	113	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.29Å; I311-G314 PolarHBondContact O-N 2.99Å; G314-V317 PolarHBondContact O-N 2.78Å; G314-L318 PolarHBondContact O-N 3.25Å
315	L	83.6	Confident	73.8	Confident	109 Å²	109	86.1 Å²	86.1	57%	0.571	54%	0.541	S	S	*	.	H	α-helix	trans	-67	-38.4	176.5	-72.4	172.5	0	0	0	112.4	I311 V312 A313 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 WeakPolarHBondContact O-CB 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.17Å; I311-L315 PolarHBondContact O-N 2.92Å; V312-L315 PolarHBondContact O-N 2.6Å; A313-L315 PolarHBondContact O-N 3.49Å; L315-L318 PolarHBondContact O-N 2.82Å; L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3.48Å
316	A	81.3	Confident	75	Confident	54 Å²	54	82.4 Å²	82.4	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-63.3	-42.9	175.7	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.35Å; V312-A316 PolarHBondContact O-N 3.27Å; A313-A316 PolarHBondContact O-N 2.92Å; A316-A319 PolarHBondContact O-N 2.79Å; A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 2.62Å
317	V	83.3	Confident	76.1	Confident	87 Å²	87	81 Å²	81	53%	0.527	52%	0.521	S	S	.	.	H	α-helix	trans	-64.3	-43.8	176.6	173.4	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.36Å; A313-V317 PolarHBondContact O-N 3.46Å; G314-V317 PolarHBondContact O-N 2.78Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.17Å; V317-V320 PolarHBondContact O-N 3.31Å; V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.43Å; V317-L321 WeakPolarHBondContact O-CG 3.45Å; V317-L321 PolarHBondContact O-N 3.36Å
318	L	82.8	Confident	76.9	Confident	114 Å²	114	82.3 Å²	82.3	60%	0.597	52%	0.52	S	S	*	.	H	α-helix	trans	-61.5	-40.9	176.4	-83.3	164.4	0	0	0	112.4	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.25Å; L315-L318 PolarHBondContact O-N 2.82Å; L318-L321 PolarHBondContact O-N 2.64Å; L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.48Å
319	A	82.6	Confident	77.5	Confident	56 Å²	56	79.1 Å²	79.1	46%	0.463	51%	0.512	S	S	.	.	H	α-helix	trans	-63.2	-43.3	176	0	0	0	0	0	111.7	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3.48Å; A316-A319 PolarHBondContact O-N 2.79Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.17Å; A319-A322 PolarHBondContact O-N 3.03Å; A319-V323 WeakPolarHBondContact O-CG2 3.44Å; A319-V323 PolarHBondContact O-N 3.24Å
320	V	84.3	Confident	78.1	Confident	86 Å²	86	77.1 Å²	77.1	52%	0.521	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-44	176.6	172	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 2.62Å; V317-V320 PolarHBondContact O-N 3.31Å; V320-A322 PolarHBondContact O-N 2.88Å; V320-V323 PolarHBondContact O-N 2.92Å; V320-L324 HydrophobicContact CG1-CD1 3.97Å; V320-L324 WeakPolarHBondContact O-CG 3.35Å; V320-L324 PolarHBondContact O-N 3.34Å
321	L	83.3	Confident	78.5	Confident	103 Å²	103	78.6 Å²	78.6	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-64.8	-38.5	177.6	-70.8	173.9	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 HydrophobicContact CG1-CG 4.43Å; V317-L321 WeakPolarHBondContact O-CG 3.45Å; V317-L321 PolarHBondContact O-N 3.36Å; L318-L321 PolarHBondContact O-N 2.64Å; L321-L324 PolarHBondContact O-N 3.02Å; L321-G325 PolarHBondContact O-N 3.47Å
322	A	81.7	Confident	78.4	Confident	66 Å²	66	80.3 Å²	80.3	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-41.9	175.5	0	0	0	0	0	111.8	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.48Å; A319-A322 PolarHBondContact O-N 3.03Å; V320-A322 PolarHBondContact O-N 2.88Å; A322-G325 PolarHBondContact O-N 3.02Å; A322-A326 WeakPolarHBondContact O-CB 3.4Å; A322-A326 PolarHBondContact O-N 3.46Å
323	V	82.3	Confident	77.9	Confident	94 Å²	94	80.3 Å²	80.3	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-64.7	-45.4	175.8	173.2	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.44Å; A319-V323 PolarHBondContact O-N 3.24Å; V320-V323 PolarHBondContact O-N 2.92Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.21Å; V323-A326 PolarHBondContact O-N 3.2Å; V323-V327 HydrophobicContact CG1-CG2 4.45Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.34Å; V323-V327 PolarHBondContact O-N 3.39Å
324	L	81.1	Confident	77.2	Confident	101 Å²	101	86.7 Å²	86.7	53%	0.529	52%	0.523	S	S	.	.	H	α-helix	trans	-61.7	-42.2	176.2	-73.5	168.4	0	0	0	111.8	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.97Å; V320-L324 WeakPolarHBondContact O-CG 3.35Å; V320-L324 PolarHBondContact O-N 3.34Å; L321-L324 PolarHBondContact O-N 3.02Å; L324-V327 PolarHBondContact O-N 2.92Å; L324-M328 WeakPolarHBondContact O-CB 3.38Å; L324-M328 VanDerWaalsContact O-CG 3.3Å; L324-M328 WeakPolarHBondContact O-CG 3.38Å; L324-M328 PolarHBondContact O-N 3.41Å
325	G	79.6	Confident	76.2	Confident	41 Å²	41	95 Å²	95	42%	0.423	54%	0.544	S	S	.	.	H	α-helix	trans	-60.6	-44.1	174.7	0	0	0	0	0	112.7	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.47Å; A322-G325 PolarHBondContact O-N 3.02Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.21Å; G325-M328 PolarHBondContact O-N 3.15Å; G325-A329 WeakPolarHBondContact O-CB 3.18Å; G325-A329 PolarHBondContact O-N 2.97Å
326	A	77.9	Confident	74.6	Confident	56 Å²	56	98.7 Å²	98.7	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-64.4	-42.1	176.4	0	0	0	0	0	112.3	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.4Å; A322-A326 PolarHBondContact O-N 3.46Å; V323-A326 PolarHBondContact O-N 3.2Å; A326-A329 PolarHBondContact O-N 3.37Å; A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.42Å; A326-V330 PolarHBondContact O-N 2.72Å
327	V	77.9	Confident	73.1	Confident	80 Å²	80	100.8 Å²	100.8	49%	0.485	57%	0.566	S	S	.	*	H	α-helix	trans	-63.2	-44.7	176.3	172.1	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 3.34Å; V323-V327 PolarHBondContact O-N 3.39Å; L324-V327 PolarHBondContact O-N 2.92Å; V327-A329 PolarHBondContact O-N 2.93Å; V327-V330 PolarHBondContact O-N 2.93Å; V327-V331 HydrophobicContact CG1-CG2 4.4Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.38Å; V327-V331 PolarHBondContact O-N 3.41Å
328	M	74	Confident	71.5	Confident	118 Å²	118	101.6 Å²	101.6	58%	0.581	58%	0.576	S	S	*	*	H	α-helix	trans	-62.5	-41.2	176.6	-72.5	-63.9	-70.5	0	0	112.1	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.38Å; L324-M328 VanDerWaalsContact O-CG 3.3Å; L324-M328 WeakPolarHBondContact O-CG 3.38Å; L324-M328 PolarHBondContact O-N 3.41Å; G325-M328 PolarHBondContact O-N 3.15Å; M328-V331 PolarHBondContact O-N 3.1Å; M328-M332 WeakPolarHBondContact O-CB 3.21Å; M328-M332 WeakPolarHBondContact O-CG 3.24Å; M328-M332 PolarHBondContact O-N 3.26Å
329	A	72.4	Confident	69.5	Low	55 Å²	55	99.3 Å²	99.3	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-62.8	-43.4	175	0	0	0	0	0	112.1	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.18Å; G325-A329 PolarHBondContact O-N 2.97Å; A326-A329 PolarHBondContact O-N 3.37Å; V327-A329 PolarHBondContact O-N 2.93Å; A329-M332 PolarHBondContact O-N 3.09Å; A329-C333 WeakPolarHBondContact O-CB 3.17Å; A329-C333 PolarHBondContact O-N 3.05Å
330	V	72.7	Confident	67.3	Low	80 Å²	80	100.3 Å²	100.3	49%	0.485	60%	0.595	S	S	.	*	H	α-helix	trans	-64.7	-41.1	176.4	170.3	0	0	0	0	111.6	A326 V327 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.42Å; A326-V330 PolarHBondContact O-N 2.72Å; V327-V330 PolarHBondContact O-N 2.93Å; V330-C333 PolarHBondContact O-N 3.33Å; V330-R334 WeakPolarHBondContact O-CB 3.29Å; V330-R334 WeakPolarHBondContact O-CG 3.42Å; V330-R334 PolarHBondContact O-N 3.22Å
331	V	71.9	Confident	64.9	Low	76 Å²	76	106.4 Å²	106.4	46%	0.461	62%	0.615	S	S	.	*	H	α-helix	trans	-66.2	-40.6	177	171.3	0	0	0	0	111.1	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.4Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.38Å; V327-V331 PolarHBondContact O-N 3.41Å; M328-V331 PolarHBondContact O-N 3.1Å; V331-R334 PolarHBondContact O-N 3.11Å; V331-R335 PolarHBondContact O-N 3.19Å
332	M	70.5	Confident	62.6	Low	132 Å²	132	105.5 Å²	105.5	65%	0.65	63%	0.63	S	S	*	*	H	α-helix	trans	-66.3	-41	174.6	-75.5	-171.5	74.2	0	0	112.5	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.21Å; M328-M332 WeakPolarHBondContact O-CG 3.24Å; M328-M332 PolarHBondContact O-N 3.26Å; A329-M332 PolarHBondContact O-N 3.09Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.15Å; M332-R335 PolarHBondContact O-N 2.73Å; M332-K336 WeakPolarHBondContact O-CB 3.28Å; M332-K336 PolarHBondContact O-N 3.27Å
333	C	61.2	Low	60.1	Low	90 Å²	90	106.3 Å²	106.3	61%	0.608	65%	0.645	S	S	*	*	H	α-helix	trans	-62.1	-39.7	172.9	-81.5	0	0	0	0	111.9	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.17Å; A329-C333 PolarHBondContact O-N 3.05Å; V330-C333 PolarHBondContact O-N 3.33Å; C333-K336 PolarHBondContact O-N 3.22Å; C333-S337 PolarHBondContact O-N 3.42Å; C333-S337 VanDerWaalsContact O-N 3.16Å; C333-S337 PolarHBondContact O-OG 3.09Å
334	R	59.3	Low	57.8	Low	189 Å²	189	107.5 Å²	107.5	71%	0.713	66%	0.657	S	S	*	*	H	α-helix	trans	-69.7	-33.6	175.6	-79.3	-173.3	150.9	163	-3.5	113.6	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.29Å; V330-R334 WeakPolarHBondContact O-CG 3.42Å; V330-R334 PolarHBondContact O-N 3.22Å; V331-R334 PolarHBondContact O-N 3.11Å; M332-R334 VanDerWaalsContact C-N 3.33Å; M332-R334 PolarHBondContact O-N 3.15Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-S337 WeakPolarHBondContact CA-OG 3.39Å; R334-S337 PolarHBondContact O-OG 2.88Å; R334-S337 VanDerWaalsContact O-OG 3.09Å
335	R	56.9	Low	55.6	Low	208 Å²	208	108.4 Å²	108.4	79%	0.785	67%	0.671	S	S	*	*	H	α-helix	trans	-68.4	-30	171.2	-111.1	-178.5	173.8	174.2	-1.5	112.5	V331 M332	V331-R335 PolarHBondContact O-N 3.19Å; M332-R335 PolarHBondContact O-N 2.73Å
336	K	49.3	Very low	53.3	Low	187 Å²	187	112.6 Å²	112.6	81%	0.813	69%	0.694	S	S	*	*	H	α-helix	trans	-82.5	-18.4	179.4	-162.5	166.5	-179.5	177.2	0	113.4	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.28Å; M332-K336 PolarHBondContact O-N 3.27Å; C333-K336 PolarHBondContact O-N 3.22Å; R334-K336 VanDerWaalsContact C-N 3.32Å
337	S	51.2	Low	51.3	Low	97 Å²	97	119.1 Å²	119.1	68%	0.678	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	2.4	177.9	53	0	0	0	0	115.4	C333 R334	C333-S337 PolarHBondContact O-N 3.42Å; C333-S337 VanDerWaalsContact O-N 3.16Å; C333-S337 PolarHBondContact O-OG 3.09Å; R334-S337 WeakPolarHBondContact CA-OG 3.39Å; R334-S337 PolarHBondContact O-OG 2.88Å; R334-S337 VanDerWaalsContact O-OG 3.09Å
338	S	48.7	Very low	49	Very low	105 Å²	105	119.7 Å²	119.7	73%	0.734	73%	0.728	S	S	*	*	S	Bend	trans	-107.4	34	179	71.6	0	0	0	0	114.2
339	G	39.9	Very low	47	Very low	65 Å²	65	118.8 Å²	118.8	67%	0.67	74%	0.739	S	S	*	*	S	Bend	trans	-154.9	89.2	178.5	0	0	0	0	0	114.4
340	G	36.3	Very low	45.4	Very low	77 Å²	77	121.8 Å²	121.8	79%	0.794	76%	0.757	S	S	*	*			trans	69.8	92.2	137.6	0	0	0	0	0	121.4
341	K	34.3	Very low	43.4	Very low	215 Å²	215	123.8 Å²	123.8	94%	0.935	77%	0.774	S	S	*	*				39	119.8	114.5	-150.4	152	-177.2	170.6	0	120.7
342	G	34.5	Very low	41.8	Very low	83 Å²	83	127.7 Å²	127.7	86%	0.856	79%	0.792	S	S	*	*			trans	117.2	122.2	130	0	0	0	0	0	118
343	G	31	Very low	40.4	Very low	83 Å²	83	127 Å²	127	86%	0.856	80%	0.8	S	S	*	*			trans	155.3	112.4	161.5	0	0	0	0	0	114.5
344	S	33.8	Very low	39.3	Very low	119 Å²	119	126.2 Å²	126.2	83%	0.832	80%	0.801	S	S	*	*			trans	-78.3	159.1	-168.4	172.6	0	0	0	0	116.3
345	C	34.7	Very low	38.1	Very low	120 Å²	120	126.3 Å²	126.3	81%	0.811	81%	0.809	S	S	*	*			trans	-32.8	148.5	164	-75.4	0	0	0	0	118.2
346	S	31.5	Very low	36.8	Very low	129 Å²	129	120.1 Å²	120.1	90%	0.902	81%	0.811	S	S	*	*				-159	161.8	124.4	50.5	0	0	0	0	111.9
347	Q	36.1	Very low	36.2	Very low	193 Å²	193	116 Å²	116	90%	0.902	81%	0.806	S	S	*	*			trans	-126.1	141.9	-150.5	175.3	-176	8.3	0	0	109
348	A	28.7	Very low	35.4	Very low	92 Å²	92	118.1 Å²	118.1	76%	0.76	81%	0.809	S	S	*	*			trans	166.2	116.3	152.2	0	0	0	0	0	107.6
349	A	31.2	Very low	34.6	Very low	99 Å²	99	121.6 Å²	121.6	82%	0.818	81%	0.814	S	S	*	*				102	132.6	68.3	0	0	0	0	0	110.7
350	S	38.4	Very low	34.3	Very low	118 Å²	118	124.2 Å²	124.2	83%	0.825	82%	0.822	S	S	*	*			trans	-49.6	150.5	179.9	53.3	0	0	0	0	116.4
351	S	32.2	Very low	34.2	Very low	122 Å²	122	128.6 Å²	128.6	85%	0.853	83%	0.826	S	S	*	*				-157.8	138.1	125.7	49.4	0	0	0	0	112.2
352	N	37.3	Very low	34.1	Very low	158 Å²	158	126.3 Å²	126.3	85%	0.845	82%	0.822	S	S	*	*			trans	-92.3	179.8	174.7	-110.6	-16.9	0	0	0	110.2
353	S	41.8	Very low	34	Very low	117 Å²	117	126 Å²	126	82%	0.818	81%	0.812	S	S	*	*			trans	89.3	143.6	155.1	74.5	0	0	0	0	115.6
354	A	37.1	Very low	34	Very low	75 Å²	75	128 Å²	128	62%	0.62	81%	0.811	S	S	*	*			cis	-164.8	143.9	13.4	0	0	0	0	0	106.3
355	Q	36	Very low	34.1	Very low	190 Å²	190	132.1 Å²	132.1	89%	0.888	81%	0.814	S	S	*	*				111.9	137.2	76.2	-174.3	168.1	20	0	0	110.7
356	G	28.2	Very low	34.1	Very low	79 Å²	79	134.5 Å²	134.5	81%	0.814	84%	0.843	S	S	*	*			trans	157.2	85.9	171.6	0	0	0	0	0	113.9
357	S	36.5	Very low	34.2	Very low	101 Å²	101	134.8 Å²	134.8	71%	0.706	84%	0.84	S	S	*	*			trans	-77.9	157	179.6	-37.7	0	0	0	0	113.6
358	D	35.8	Very low	34.1	Very low	141 Å²	141	131.7 Å²	131.7	75%	0.754	84%	0.836	S	S	*	*				155.8	115.2	122.3	-85.3	-8.1	0	0	0	112.2
359	E	31.3	Very low	34.4	Very low	177 Å²	177	133.9 Å²	133.9	83%	0.827	84%	0.84	S	S	*	*				70.8	114.4	113.3	-84.9	-160.3	135.4	0	0	117.3
360	S	32.7	Very low	34.6	Very low	121 Å²	121	135.9 Å²	135.9	85%	0.846	84%	0.842	S	S	*	*				175.5	125.8	99.1	44.8	0	0	0	0	111.6
361	L	34.4	Very low	34.4	Very low	168 Å²	168	137.1 Å²	137.1	88%	0.88	84%	0.843	S	S	*	*			trans	-79.7	158	159.6	-92	155.3	0	0	0	109.7
362	I	33.7	Very low	34.5	Very low	167 Å²	167	138.1 Å²	138.1	86%	0.856	84%	0.842	S	S	*	*			trans	137.6	139	154.8	-74.8	162.2	0	0	0	108.8
363	A	32	Very low	34.3	Very low	77 Å²	77	136.6 Å²	136.6	64%	0.636	84%	0.842	S	S	*	*			cis	-170.8	136.9	-21	0	0	0	0	0	105.7
364	C	31.4	Very low	33.7	Very low	125 Å²	125	138.2 Å²	138.2	85%	0.845	84%	0.844	S	S	*	*				75.8	117.2	113	-74.9	0	0	0	0	119
365	K	34.3	Very low	33.5	Very low	205 Å²	205	143.4 Å²	143.4	89%	0.891	86%	0.862	S	S	*	*			trans	29	131.4	136.1	-89.9	179	170.8	179.9	0	120.5
366	A	35.4	Very low	33.2	Very low	170 Å²	170	139.2 Å²	139.2	100%	1.405	86%	0.86	S	S	*	*				-117.1	0	114.7	0	0	0	0	0	108.1

Retrieved 366 of 366 residues in 102.2 ms (Link to these results)

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