A0A090KF60_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KF60, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 338 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	40	Very low	240 Å²	240	147.1 Å²	147.1	100%	1.182	75%	0.753	S	S	*	*				0	99.2	0	-70.8	160.2	87.5	0	0	107.8
2	R	31.8	Very low	40.1	Very low	250 Å²	250	146.5 Å²	146.5	94%	0.943	75%	0.751	S	S	*	*			trans	-96.5	107.7	170.5	-91.6	-178.8	172.9	166.6	-2.4	106.2	M4	R2-M4 PolarHBondContact O-N 3.36Å
3	V	35.1	Very low	39.8	Very low	143 Å²	143	143.8 Å²	143.8	87%	0.867	74%	0.738	S	S	*	*			trans	-73	107.5	172.6	178.7	0	0	0	0	106.6	A5	V3-A5 PolarHBondContact O-N 3.2Å
4	M	38.3	Very low	39.8	Very low	180 Å²	180	137.9 Å²	137.9	89%	0.887	72%	0.716	S	S	*	*			trans	-84.7	100.1	176.6	-159.5	160.4	67.1	0	0	106.8	R2	R2-M4 PolarHBondContact O-N 3.36Å
5	A	41	Very low	39.6	Very low	69 Å²	69	131.3 Å²	131.3	57%	0.57	69%	0.694	S	S	*	*			trans	-63.6	141	174.7	0	0	0	0	0	109.6	V3 R7	V3-A5 PolarHBondContact O-N 3.2Å; A5-R7 PolarHBondContact O-N 3.26Å
6	P	42.5	Very low	39.3	Very low	83 Å²	83	125.7 Å²	125.7	54%	0.539	68%	0.678	S	S	.	*			trans	-69.7	122.1	-175.9	-8.7	24.1	0	0	0	109.7	A8 L9	P6-A8 PolarHBondContact O-N 3Å; P6-L9 PolarHBondContact O-N 2.96Å
7	R	47	Very low	39	Very low	226 Å²	226	125.7 Å²	125.7	85%	0.853	68%	0.677	S	S	*	*	H	α-helix	trans	-53.2	-16.7	172.8	-91.5	177.7	164.5	166.5	-6.1	114	A5	A5-R7 PolarHBondContact O-N 3.26Å
8	A	46.2	Very low	38.9	Very low	67 Å²	67	123 Å²	123	55%	0.554	68%	0.675	S	S	*	*	H	α-helix	trans	-72.3	-28.6	174.9	0	0	0	0	0	114	P6	P6-A8 PolarHBondContact O-N 3Å
9	L	41	Very low	38.8	Very low	114 Å²	114	123.4 Å²	123.4	60%	0.597	68%	0.675	S	S	*	*	H	α-helix	trans	-76.5	-28.1	179.6	-112.7	95.2	0	0	0	112.9	P6	P6-L9 PolarHBondContact O-N 2.96Å
10	L	39.7	Very low	38.6	Very low	119 Å²	119	121.7 Å²	121.7	62%	0.623	67%	0.669	S	S	*	*	H	α-helix	trans	-73.1	-29	179.7	-91.7	142.1	0	0	0	112.9	S14	L10-S14 PolarHBondContact O-N 2.6Å; L10-S14 PolarHBondContact O-OG 3.18Å
11	L	44.1	Very low	38.7	Very low	127 Å²	127	124.3 Å²	124.3	67%	0.665	68%	0.676	S	S	*	*	H	α-helix	trans	-76.7	-31.9	178.4	-76.3	165.5	0	0	0	113.1	L13 S14 G15	L11-L13 VanDerWaalsContact C-N 3.32Å; L11-S14 WeakPolarHBondContact CA-OG 3.33Å; L11-S14 PolarHBondContact O-N 2.89Å; L11-S14 PolarHBondContact O-OG 3.41Å; L11-G15 PolarHBondContact O-N 3.27Å
12	L	41.3	Very low	39.1	Very low	140 Å²	140	118 Å²	118	73%	0.733	65%	0.652	S	S	*	*	H	α-helix	trans	-70.1	-30.2	174.6	-76.7	161.9	0	0	0	112.2	G16	L12-G16 PolarHBondContact O-N 3.1Å
13	L	36.1	Very low	40	Very low	112 Å²	112	112.4 Å²	112.4	59%	0.586	63%	0.631	S	S	*	*	H	α-helix	trans	-77	-29.1	175	-74.1	162.5	0	0	0	112.7	L11 L17	L11-L13 VanDerWaalsContact C-N 3.32Å; L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 WeakPolarHBondContact O-CD1 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.3Å
14	S	39.9	Very low	40.9	Very low	61 Å²	61	107.5 Å²	107.5	43%	0.427	61%	0.605	S	S	.	*	H	α-helix	trans	-76.2	-27.8	173.2	46	0	0	0	0	113.7	L10 L11 A18	L10-S14 PolarHBondContact O-N 2.6Å; L10-S14 PolarHBondContact O-OG 3.18Å; L11-S14 WeakPolarHBondContact CA-OG 3.33Å; L11-S14 PolarHBondContact O-N 2.89Å; L11-S14 PolarHBondContact O-OG 3.41Å; S14-A18 PolarHBondContact O-N 2.92Å
15	G	37	Very low	42.5	Very low	38 Å²	38	101.8 Å²	101.8	39%	0.392	58%	0.582	S	S	.	*	H	α-helix	trans	-71.4	-36	173.3	0	0	0	0	0	113	L11	L11-G15 PolarHBondContact O-N 3.27Å
16	G	33.7	Very low	44.9	Very low	42 Å²	42	102 Å²	102	43%	0.433	58%	0.579	S	S	.	*	H	α-helix	trans	-74	-32.1	175.4	0	0	0	0	0	114	L12	L12-G16 PolarHBondContact O-N 3.1Å
17	L	34.6	Very low	47.4	Very low	126 Å²	126	99.3 Å²	99.3	66%	0.66	56%	0.56	S	S	*	*	H	α-helix	trans	-78.2	-19.2	178.9	-77.6	164.8	0	0	0	113.8	L13	L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 WeakPolarHBondContact O-CD1 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.3Å
18	A	36.9	Very low	49.8	Very low	77 Å²	77	89.7 Å²	89.7	64%	0.636	53%	0.527	S	S	*	.	H	α-helix	trans	-82.3	-19.2	174.5	0	0	0	0	0	113.2	S14	S14-A18 PolarHBondContact O-N 2.92Å
19	L	37.7	Very low	52.3	Low	130 Å²	130	86.6 Å²	86.6	68%	0.681	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	1	179.3	-83.9	156.3	0	0	0	113.3
20	T	34.6	Very low	55.1	Low	89 Å²	89	83.4 Å²	83.4	55%	0.546	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	37.7	174.7	64.7	0	0	0	0	110.5	T22	T20-T22 PolarHBondContact O-N 2.91Å
21	E	40.5	Very low	57.9	Low	177 Å²	177	78.6 Å²	78.6	83%	0.827	46%	0.455	S	S	*	.			trans	-64.4	91.1	146.6	-103.6	-176.3	172.3	0	0	104.9	W23	E21-W23 PolarHBondContact O-N 3.02Å
22	T	42	Very low	60.5	Low	109 Å²	109	76.6 Å²	76.6	67%	0.669	44%	0.441	S	S	*	.			trans	-34.3	124.4	172.6	46.9	0	0	0	0	108.6	T20 A24	T20-T22 PolarHBondContact O-N 2.91Å; T22-A24 PolarHBondContact O-N 2.91Å
23	W	51.7	Low	63.2	Low	132 Å²	132	70.4 Å²	70.4	50%	0.5	41%	0.408	S	S	.	.			trans	-58.6	62.5	155.5	-68.3	82.7	0	0	0	108.5	E21 C25 H287 E288	E21-W23 PolarHBondContact O-N 3.02Å; W23-C25 PolarHBondContact O-N 3.12Å; W23-H287 VanDerWaalsContact CH2-CA 3.47Å; W23-E288 HydrophobicContact CB-CG 4.5Å; W23-E288 HydrophobicContact CD2-CB 4.08Å; W23-E288 HydrophobicContact CD2-CG 4.04Å; W23-E288 HydrophobicContact CE3-CB 3.23Å; W23-E288 HydrophobicContact CE3-CG 3.31Å; W23-E288 HydrophobicContact CH2-CB 3.98Å; W23-E288 HydrophobicContact CZ3-CB 3.19Å; W23-E288 HydrophobicContact CZ3-CG 3.85Å
24	A	53.4	Low	66.2	Low	40 Å²	40	67 Å²	67	33%	0.331	39%	0.392	S	S	.	.			trans	-85	101.4	174.4	0	0	0	0	0	102.4	T22 S26 P129	T22-A24 PolarHBondContact O-N 2.91Å; A24-S26 PolarHBondContact O-N 3.13Å; A24-P129 HydrophobicContact CB-CB 3.82Å; A24-P129 HydrophobicContact CB-CG 3.19Å
25	C	71.8	Confident	69	Low	59 Å²	59	64.1 Å²	64.1	40%	0.399	37%	0.372	S	S	.	.			trans	-51.6	102	-170.4	-51.3	0	0	0	0	110.1	W23 E288	W23-C25 PolarHBondContact O-N 3.12Å; C25-E288 PolarHBondContact SG-OE1 3.15Å
26	S	90.9	Very high	71.9	Confident	73 Å²	73	64.7 Å²	64.7	51%	0.51	37%	0.368	S	S	.	.			trans	-83.6	143.6	165.2	57	0	0	0	0	108	A24 L127	A24-S26 PolarHBondContact O-N 3.13Å; S26-L127 VanDerWaalsContact CA-O 3.24Å; S26-L127 WeakPolarHBondContact CA-O 3.34Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å
27	H	95.6	Very high	75	Confident	28 Å²	28	63.5 Å²	63.5	13%	0.13	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.1	177.9	-67.8	-76.4	0	0	0	110.3	D53 D126 L127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.34Å; H27-D53 IonicContact CE1-OD2 3.12Å; H27-D53 IonicContact CG-OD2 3.97Å; H27-D53 IonicContact ND1-OD1 3.98Å; H27-D53 IonicContact ND1-OD2 3.99Å; H27-D53 PolarHBondContact ND1-OD2 2.87Å; H27-D126 CarbonylContact O-C 3.49Å; H27-D126 WeakPolarHBondContact O-CA 3.17Å; H27-L127 PolarHBondContact N-O 2.93Å; H27-L127 VanDerWaalsContact N-O 3.12Å; H27-L127 PolarHBondContact O-N 3.47Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.38Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.08Å
28	S	97.5	Very high	77.9	Confident	24 Å²	24	61 Å²	61	17%	0.168	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.3	179.4	66.7	0	0	0	0	111.5	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.41Å; S28-D53 PolarHBondContact N-OD1 3.03Å; S28-D53 PolarHBondContact O-N 3.35Å; S28-C125 WeakPolarHBondContact CA-O 3.46Å; S28-D126 WeakPolarHBondContact CB-OD1 3.34Å
29	M	98.6	Very high	80.5	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.9	167.1	-174.8	171.8	62	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.3Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 HydrophobicContact SD-CE2 4.15Å; M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.49Å; M29-V52 HydrophobicContact CG-CG2 4.29Å; M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.32Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.27Å; M29-C125 PolarHBondContact N-O 3.31Å; M29-C125 PolarHBondContact O-N 3.42Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.41Å; M29-C188 WeakPolarHBondContact CE-SG 3.24Å; M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.42Å; M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.37Å; M29-Y195 HydrophobicContact SD-CD2 3.68Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	R	98.6	Very high	83.1	Confident	47 Å²	47	57.8 Å²	57.8	18%	0.177	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.6	-175.4	-56.1	-62.7	-177.4	74.8	3.1	110.8	F32 G50 Y51 S123 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.47Å; R30-Y51 PolarHBondContact N-O 2.99Å; R30-Y51 PolarHBondContact O-N 2.9Å; R30-S123 WeakPolarHBondContact CA-O 3.24Å; R30-D126 IonicContact CZ-OD1 2.71Å; R30-D126 IonicContact NE-OD1 3.39Å; R30-D126 PolarHBondContact NE-OD1 3.41Å; R30-D126 VanDerWaalsContact NE-OD1 3.07Å; R30-D126 IonicContact NH2-OD1 3.1Å; R30-D126 PolarHBondContact NH2-OD1 3.45Å; R30-D126 IonicContact NH2-OD2 3.66Å; R30-D126 PolarHBondContact NH2-OD2 2.91Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.29Å; R30-Y137 PolarHBondContact NH2-OH 3.3Å
31	Y	98.7	Very high	85.8	Confident	19 Å²	19	63.6 Å²	63.6	8%	0.075	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134	168.8	-69.7	-92.4	0	0	0	109.3	M29 V49 F57 V58 M122 S123	M29-Y31 HydrophobicContact CE-CE2 4.3Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 HydrophobicContact SD-CE2 4.15Å; Y31-V49 CarbonylContact C-O 3.56Å; Y31-V49 WeakPolarHBondContact CA-O 3.23Å; Y31-F57 HydrophobicContact CE1-CZ 4.13Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.25Å; Y31-V58 HydrophobicContact CE1-CG2 3.92Å; Y31-M122 WeakPolarHBondContact O-CA 3.25Å; Y31-S123 PolarHBondContact N-O 3Å; Y31-S123 PolarHBondContact O-N 3.38Å
32	F	98.8	Very high	88.3	Confident	85 Å²	85	57.9 Å²	57.9	37%	0.373	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.8	176.1	-57	-92.7	0	0	0	108.9	R30 S48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.46Å; R30-F32 HydrophobicContact CB-CE2 3.65Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; F32-S48 WeakPolarHBondContact O-CA 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.06Å; F32-V49 PolarHBondContact O-N 3.02Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; F32-R121 WeakPolarHBondContact CA-O 3.33Å; F32-M122 HydrophobicContact CD1-CB 4.02Å; F32-M122 HydrophobicContact CD1-CG 3.71Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.42Å; F32-M122 VanDerWaalsContact CE1-CG 3.42Å; F32-M122 HydrophobicContact CZ-CG 4.08Å
33	D	98.8	Very high	90.8	Very high	10 Å²	10	57.1 Å²	57.1	5%	0.053	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.1	176.4	-62.2	-29	0	0	0	109.2	F46 I47 S48 Q120 R121	D33-F46 HydrophobicContact CB-CE2 3.86Å; D33-F46 HydrophobicContact CB-CZ 4.07Å; D33-I47 CarbonylContact C-O 3.55Å; D33-I47 WeakPolarHBondContact CA-O 3.48Å; D33-S48 WeakPolarHBondContact OD1-CB 3.33Å; D33-S48 PolarHBondContact OD1-OG 3.15Å; D33-Q120 CarbonylContact O-C 3.59Å; D33-Q120 VanDerWaalsContact O-CA 3.3Å; D33-Q120 WeakPolarHBondContact O-CA 3.32Å; D33-R121 HydrophobicContact CB-CB 4.27Å; D33-R121 PolarHBondContact N-O 2.87Å; D33-R121 PolarHBondContact O-N 2.95Å; D33-R121 IonicContact OD2-NH1 2.67Å
34	T	98.9	Very high	92.9	Very high	40 Å²	40	52.1 Å²	52.1	25%	0.245	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	119	175.6	-59.7	0	0	0	0	109.8	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.99Å; T34-F46 WeakPolarHBondContact O-CA 3.5Å; T34-I47 PolarHBondContact N-O 3.2Å; T34-I47 PolarHBondContact O-N 3.2Å; T34-T118 HydrophobicContact CG2-CG2 4.12Å; T34-L119 WeakPolarHBondContact CA-O 3.45Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å
35	A	98.7	Very high	95.1	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124	174	0	0	0	0	0	110.2	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.6Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.38Å; A35-F46 HydrophobicContact CB-CD2 4.27Å; A35-D98 HydrophobicContact CB-CB 3.65Å; A35-L102 HydrophobicContact CB-CD1 3.89Å; A35-T118 WeakPolarHBondContact O-CA 3.46Å; A35-L119 HydrophobicContact CB-CB 4.44Å; A35-L119 PolarHBondContact N-O 3.17Å; A35-L119 PolarHBondContact O-N 2.76Å
36	V	98.6	Very high	96.4	Very high	50 Å²	50	51.9 Å²	51.9	30%	0.303	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	115.5	-179.2	-173.7	0	0	0	0	109.3	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.99Å; V36-P44 CarbonylContact O-C 3.47Å; V36-P44 WeakPolarHBondContact O-CA 3.45Å; V36-P44 WeakPolarHBondContact O-CB 3.38Å; V36-R45 PolarHBondContact N-O 3.36Å; V36-R45 PolarHBondContact O-N 3.22Å; V36-H117 WeakPolarHBondContact CA-O 3.35Å; V36-T118 HydrophobicContact CG2-CG2 4.24Å
37	S	97.9	Very high	96.7	Very high	17 Å²	17	50.8 Å²	50.8	12%	0.119	28%	0.276	C	S	.	.			trans	-68.2	148.4	173.4	75.8	0	0	0	0	110.3	S116 H117	S37-S116 PolarHBondContact O-OG 3.06Å; S37-H117 PolarHBondContact N-O 3.31Å; S37-H117 PolarHBondContact OG-N 3.28Å; S37-H117 PolarHBondContact OG-O 3.01Å
38	R	95.9	Very high	96.9	Very high	72 Å²	72	49.4 Å²	49.4	27%	0.272	27%	0.27	S	S	.	.			trans	-142.4	74.4	-179.5	53	174.8	176	-161.2	-9.8	110.9	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.38Å; R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.4Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 2.94Å; R38-R41 PolarHBondContact O-N 2.8Å; R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 3.5Å; R38-E43 PolarHBondContact NH2-O 2.83Å; R38-D63 IonicContact CZ-OD1 3.49Å; R38-D63 IonicContact CZ-OD2 3.59Å; R38-D63 IonicContact NH1-OD1 3.39Å; R38-D63 PolarHBondContact NH1-OD1 2.94Å; R38-D63 IonicContact NH1-OD2 2.73Å; R38-D63 PolarHBondContact NH1-OD2 2.8Å; R38-D63 IonicContact NH2-OD1 2.75Å; R38-D63 PolarHBondContact NH2-OD1 3.35Å; R38-D63 IonicContact NH2-OD2 3.63Å
39	P	91.9	Very high	97	Very high	50 Å²	50	49.7 Å²	49.7	33%	0.325	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	132.3	-177.8	-27.5	35.6	0	0	0	112.1	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.12Å; P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.36Å; P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.14Å
40	G	90.9	Very high	97	Very high	90 Å²	90	49.7 Å²	49.7	93%	0.928	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	-0.1	-177.3	0	0	0	0	0	116.1	R38	R38-G40 PolarHBondContact O-N 3.38Å
41	R	92.8	Very high	97	Very high	211 Å²	211	50.7 Å²	50.7	80%	0.796	28%	0.275	S	S	*	.	S	Bend	trans	-122.7	23.1	-179.3	-58.2	-174.3	-179.9	-171.7	0.5	113.7	R38 P39	R38-R41 HydrophobicContact CB-CB 4.1Å; R38-R41 WeakPolarHBondContact CD-O 3.4Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 2.94Å; R38-R41 PolarHBondContact O-N 2.8Å; P39-R41 PolarHBondContact O-N 3.12Å
42	G	91.7	Very high	96.9	Very high	58 Å²	58	49.8 Å²	49.8	60%	0.598	27%	0.271	S	S	*	.	S	Bend	trans	95.7	-159.4	178.1	0	0	0	0	0	113.6
43	E	94.6	Very high	96.8	Very high	93 Å²	93	47.2 Å²	47.2	44%	0.435	26%	0.261	S	S	.	.	S	Bend	trans	-71.6	154.5	-177.7	-64.4	-55.4	161.3	0	0	112.8	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.29Å; R38-E43 PolarHBondContact NE-O 3.5Å; R38-E43 PolarHBondContact NH2-O 2.83Å; E43-R45 PolarHBondContact O-N 2.86Å; E43-R99 VanDerWaalsContact CD-NE 3.29Å; E43-R99 IonicContact OE1-CZ 3.32Å; E43-R99 VanDerWaalsContact OE1-CZ 3.29Å; E43-R99 IonicContact OE1-NE 2.76Å; E43-R99 IonicContact OE1-NH2 3.11Å; E43-R99 PolarHBondContact OE1-NH2 3.48Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 3.07Å; E43-R99 IonicContact OE2-NE 2.8Å; E43-R99 PolarHBondContact OE2-NE 3.35Å; E43-R99 IonicContact OE2-NH2 3.53Å; E43-R99 PolarHBondContact OE2-NH2 2.89Å; E43-R99 VanDerWaalsContact OE2-NH2 3.15Å
44	P	97.3	Very high	96.7	Very high	27 Å²	27	49.7 Å²	49.7	18%	0.175	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-51.1	133.5	173.4	-25.8	34.6	0	0	0	111.6	V36 R99 L102	V36-P44 CarbonylContact O-C 3.47Å; V36-P44 WeakPolarHBondContact O-CA 3.45Å; V36-P44 WeakPolarHBondContact O-CB 3.38Å; P44-R99 HydrophobicContact CG-CB 4.4Å; P44-R99 HydrophobicContact CG-CG 4.19Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.85Å
45	R	98.4	Very high	96.6	Very high	90 Å²	90	49.2 Å²	49.2	34%	0.34	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.2	173.5	-176.7	-178.7	-176.5	-177.3	-1.1	108.3	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.6Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.38Å; V36-R45 PolarHBondContact N-O 3.36Å; V36-R45 PolarHBondContact O-N 3.22Å; E43-R45 PolarHBondContact O-N 2.86Å; R45-I47 HydrophobicContact CG-CG1 4.38Å; R45-D61 IonicContact CZ-OD1 3.92Å; R45-D61 IonicContact CZ-OD2 3.01Å; R45-D61 IonicContact NE-OD1 2.74Å; R45-D61 PolarHBondContact NE-OD1 2.92Å; R45-D61 IonicContact NE-OD2 2.9Å; R45-D61 IonicContact NH2-OD1 3.55Å; R45-D61 PolarHBondContact NH2-OD1 2.83Å; R45-D61 IonicContact NH2-OD2 3.93Å; R45-D61 PolarHBondContact NH2-OD2 3.14Å; R45-S62 WeakPolarHBondContact CA-OG 3.36Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.38Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact NE-OD2 3.58Å
46	F	98.8	Very high	96.6	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.013	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127	177	176.1	-92.7	0	0	0	110	D33 T34 A35 F60 S62 Q94 A95 D98	D33-F46 HydrophobicContact CB-CE2 3.86Å; D33-F46 HydrophobicContact CB-CZ 4.07Å; T34-F46 WeakPolarHBondContact O-CA 3.5Å; A35-F46 HydrophobicContact CB-CD2 4.27Å; F46-F60 AromaticContact CD1-CD1 3.67Å; F46-F60 HydrophobicContact CD1-CD1 3.67Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; F46-S62 PolarHBondContact N-OG 3.29Å; F46-S62 PolarHBondContact O-N 2.97Å; F46-S62 PolarHBondContact O-OG 3.16Å; F46-Q94 HydrophobicContact CE2-CB 4.23Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.89Å; F46-Q94 HydrophobicContact CZ-CG 3.73Å; F46-A95 HydrophobicContact CB-CB 3.67Å; F46-A95 HydrophobicContact CD1-CB 3.74Å; F46-A95 HydrophobicContact CD2-CB 4.11Å; F46-A95 HydrophobicContact CE1-CB 4.42Å; F46-A95 HydrophobicContact CG-CB 3.56Å; F46-D98 HydrophobicContact CD2-CB 4.5Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.41Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.45Å
47	I	98.8	Very high	96.5	Very high	50 Å²	50	49.4 Å²	49.4	26%	0.256	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.3	174.6	-59.1	174	0	0	0	107.5	D33 T34 R45 V49 F60	D33-I47 CarbonylContact C-O 3.55Å; D33-I47 WeakPolarHBondContact CA-O 3.48Å; T34-I47 PolarHBondContact N-O 3.2Å; T34-I47 PolarHBondContact O-N 3.2Å; R45-I47 HydrophobicContact CG-CG1 4.38Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; I47-F60 WeakPolarHBondContact CA-O 3.37Å
48	S	98.8	Very high	96.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.5	170.6	-174.5	0	0	0	0	109.4	F32 D33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.34Å; D33-S48 WeakPolarHBondContact OD1-CB 3.33Å; D33-S48 PolarHBondContact OD1-OG 3.15Å; S48-R59 CarbonylContact O-C 3.59Å; S48-R59 WeakPolarHBondContact O-CA 3.04Å; S48-F60 PolarHBondContact N-O 2.79Å; S48-F60 PolarHBondContact O-N 2.69Å; S48-Y91 VanDerWaalsContact OG-CE1 3.27Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.34Å
49	V	98.8	Very high	96.7	Very high	30 Å²	30	49.2 Å²	49.2	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.5	173.3	-63.4	0	0	0	0	109.8	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.56Å; Y31-V49 WeakPolarHBondContact CA-O 3.23Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.06Å; F32-V49 PolarHBondContact O-N 3.02Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; V49-Y51 HydrophobicContact CB-CE2 4.16Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.88Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.3Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.25Å
50	G	98.6	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.9	177.5	0	0	0	0	0	110.8	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.47Å; G50-Q56 WeakPolarHBondContact O-CA 3.46Å; G50-F57 WeakPolarHBondContact O-CD1 3.18Å; G50-F57 PolarHBondContact O-N 2.81Å; G50-V58 PolarHBondContact N-O 3.46Å; G50-V58 PolarHBondContact O-N 2.81Å
51	Y	98.6	Very high	97.4	Very high	69 Å²	69	43.4 Å²	43.4	27%	0.271	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.4	178	-76.9	-102.7	0	0	0	110.3	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.49Å; R30-Y51 PolarHBondContact N-O 2.99Å; R30-Y51 PolarHBondContact O-N 2.9Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; V49-Y51 HydrophobicContact CB-CE2 4.16Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.88Å; Y51-T55 WeakPolarHBondContact CA-O 3.41Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CB 4.48Å; Y51-Q56 HydrophobicContact CD2-CG 4.32Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.03Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å
52	V	98.3	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.5	156.2	176.4	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.59Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.41Å; M29-V52 HydrophobicContact CG-CG2 4.29Å; V52-D54 PolarHBondContact O-N 2.93Å; V52-T55 PolarHBondContact N-O 2.92Å; V52-T55 WeakPolarHBondContact O-CB 3.28Å; V52-T55 PolarHBondContact O-N 3.03Å; V52-F57 HydrophobicContact CG2-CD1 4.03Å; V52-F57 HydrophobicContact CG2-CE1 4.05Å; V52-W75 HydrophobicContact CB-CH2 4.37Å; V52-W75 HydrophobicContact CB-CZ2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; V52-L192 HydrophobicContact CB-CD1 4.49Å; V52-L192 HydrophobicContact CG1-CD1 3.55Å; V52-L192 HydrophobicContact CG2-CD1 4.21Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CG 4.47Å
53	D	96.1	Very high	97.9	Very high	30 Å²	30	35.7 Å²	35.7	16%	0.16	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	-125	-166.9	-52.5	-40.2	0	0	0	110.5	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.34Å; H27-D53 IonicContact CE1-OD2 3.12Å; H27-D53 IonicContact CG-OD2 3.97Å; H27-D53 IonicContact ND1-OD1 3.98Å; H27-D53 IonicContact ND1-OD2 3.99Å; H27-D53 PolarHBondContact ND1-OD2 2.87Å; S28-D53 PolarHBondContact N-OD1 3.03Å; S28-D53 PolarHBondContact O-N 3.35Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	96	Very high	98.1	Very high	62 Å²	62	32.8 Å²	32.8	33%	0.332	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	9	178.8	-62.6	-54.3	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.93Å; D54-Y233 HydrophobicContact CB-CE2 4.02Å; D54-P234 VanDerWaalsContact OD2-CB 3.27Å; D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; D54-A235 HydrophobicContact CB-CB 4.34Å; D54-A235 WeakPolarHBondContact OD2-CB 3.21Å; D54-A235 PolarHBondContact OD2-N 3.43Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.7Å
55	T	97	Very high	98	Very high	31 Å²	31	37.2 Å²	37.2	19%	0.19	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.6	-177.1	-62.2	0	0	0	0	112	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.41Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; V52-T55 PolarHBondContact N-O 2.92Å; V52-T55 WeakPolarHBondContact O-CB 3.28Å; V52-T55 PolarHBondContact O-N 3.03Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 3.22Å; T55-A73 HydrophobicContact CG2-CB 4.43Å; T55-L203 HydrophobicContact CG2-CD2 4.07Å; T55-Y233 PolarHBondContact OG1-OH 2.92Å
56	Q	97.8	Very high	97.9	Very high	55 Å²	55	36.7 Å²	36.7	26%	0.257	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.8	172.9	-166.3	-179.7	-3.9	0	0	110.5	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.3Å; G50-Q56 WeakPolarHBondContact O-CA 3.46Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.3Å; Y51-Q56 HydrophobicContact CD2-CB 4.48Å; Y51-Q56 HydrophobicContact CD2-CG 4.32Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.27Å; Y51-Q56 HydrophobicContact CE2-CB 4.03Å; Y51-Q56 HydrophobicContact CE2-CG 3.83Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Q56-V58 PolarHBondContact NE2-O 3.4Å; Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.39Å; Q56-R72 CarbonylContact O-C 3.55Å
57	F	98.3	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-22.7	-179.6	76.8	-82.6	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.42Å; M29-F57 HydrophobicContact SD-CZ 4.32Å; Y31-F57 HydrophobicContact CE1-CZ 4.13Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.25Å; G50-F57 WeakPolarHBondContact O-CD1 3.18Å; G50-F57 PolarHBondContact O-N 2.81Å; V52-F57 HydrophobicContact CG2-CD1 4.03Å; V52-F57 HydrophobicContact CG2-CE1 4.05Å; T55-F57 PolarHBondContact O-N 3.22Å; F57-R72 PolarHBondContact O-N 3.23Å; F57-A73 HydrophobicContact CB-CB 4.07Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 3.99Å; F57-W75 HydrophobicContact CD1-CH2 3.99Å; F57-W75 AromaticContact CD2-CH2 3.72Å; F57-W75 HydrophobicContact CD2-CH2 3.72Å; F57-W75 AromaticContact CD2-CZ3 3.94Å; F57-W75 HydrophobicContact CD2-CZ3 3.94Å; F57-W75 AromaticContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.06Å; F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.33Å; F57-V76 HydrophobicContact CD2-CG1 4.43Å; F57-V76 HydrophobicContact CD2-CG2 4.08Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.38Å; F57-Y195 HydrophobicContact CD2-CE2 4.43Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.59Å; F57-Y195 HydrophobicContact CE2-CE2 3.59Å; F57-Y195 AromaticContact CE2-CZ 3.77Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.73Å; F57-Y195 HydrophobicContact CZ-CE2 3.73Å
58	V	98.4	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.5	177.4	-73.8	0	0	0	0	112.6	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 3.92Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; G50-V58 PolarHBondContact N-O 3.46Å; G50-V58 PolarHBondContact O-N 2.81Å; Q56-V58 PolarHBondContact NE2-O 3.4Å; V58-E70 WeakPolarHBondContact CA-O 3.47Å; V58-W84 HydrophobicContact CG1-CH2 3.9Å; V58-W84 HydrophobicContact CG1-CZ3 3.83Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.36Å
59	R	98.5	Very high	97.7	Very high	85 Å²	85	43.2 Å²	43.2	32%	0.321	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.9	170.3	179.4	173.5	168.9	176.3	-3.1	111	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.59Å; S48-R59 WeakPolarHBondContact O-CA 3.04Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.25Å; R59-D61 IonicContact NH2-OD2 3.39Å; R59-D61 PolarHBondContact NH2-OD2 2.78Å; R59-D61 VanDerWaalsContact NH2-OD2 3.09Å; R59-E70 PolarHBondContact N-O 2.82Å; R59-E70 PolarHBondContact O-N 2.91Å; R59-R72 HydrophobicContact CB-CG 3.95Å
60	F	98.8	Very high	97.7	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.013	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.1	164.6	178.5	-85.8	0	0	0	109.4	F46 I47 S48 P67 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.67Å; F46-F60 HydrophobicContact CD1-CD1 3.67Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; I47-F60 WeakPolarHBondContact CA-O 3.37Å; S48-F60 PolarHBondContact N-O 2.79Å; S48-F60 PolarHBondContact O-N 2.69Å; F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; F60-Y91 HydrophobicContact CB-CD1 4.16Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.03Å; F60-Y91 HydrophobicContact CB-CG 3.68Å; F60-Y91 HydrophobicContact CD1-CG 4.35Å; F60-Y91 AromaticContact CD2-CD2 3.66Å; F60-Y91 HydrophobicContact CD2-CD2 3.66Å; F60-Y91 AromaticContact CD2-CG 3.89Å; F60-Y91 HydrophobicContact CD2-CG 3.89Å; F60-Y91 AromaticContact CG-CD2 3.8Å; F60-Y91 HydrophobicContact CG-CD2 3.8Å; F60-Y91 AromaticContact CG-CG 3.72Å; F60-Y91 HydrophobicContact CG-CG 3.72Å; F60-K92 HydrophobicContact CE2-CG 4.31Å; F60-K92 HydrophobicContact CZ-CG 4.06Å
61	D	98.7	Very high	97.6	Very high	15 Å²	15	46.8 Å²	46.8	8%	0.08	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	119.6	175.8	-164	-26.9	0	0	0	109.4	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.92Å; R45-D61 IonicContact CZ-OD2 3.01Å; R45-D61 IonicContact NE-OD1 2.74Å; R45-D61 PolarHBondContact NE-OD1 2.92Å; R45-D61 IonicContact NE-OD2 2.9Å; R45-D61 IonicContact NH2-OD1 3.55Å; R45-D61 PolarHBondContact NH2-OD1 2.83Å; R45-D61 IonicContact NH2-OD2 3.93Å; R45-D61 PolarHBondContact NH2-OD2 3.14Å; R59-D61 IonicContact NH2-OD2 3.39Å; R59-D61 PolarHBondContact NH2-OD2 2.78Å; R59-D61 VanDerWaalsContact NH2-OD2 3.09Å; D61-D63 PolarHBondContact O-N 3.39Å; D61-D63 PolarHBondContact OD1-N 2.92Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å; D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.29Å; D61-A64 PolarHBondContact O-N 3.31Å
62	S	98.3	Very high	97.6	Very high	35 Å²	35	49 Å²	49	25%	0.245	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.1	-178.7	68.3	0	0	0	0	113.4	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.36Å; F46-S62 PolarHBondContact N-OG 3.29Å; F46-S62 PolarHBondContact O-N 2.97Å; F46-S62 PolarHBondContact O-OG 3.16Å; S62-P67 WeakPolarHBondContact O-CG 3.36Å
63	D	97.6	Very high	97.5	Very high	71 Å²	71	49.3 Å²	49.3	38%	0.38	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.2	-179.9	-78.6	5.2	0	0	0	112.8	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.49Å; R38-D63 IonicContact CZ-OD2 3.59Å; R38-D63 IonicContact NH1-OD1 3.39Å; R38-D63 PolarHBondContact NH1-OD1 2.94Å; R38-D63 IonicContact NH1-OD2 2.73Å; R38-D63 PolarHBondContact NH1-OD2 2.8Å; R38-D63 IonicContact NH2-OD1 2.75Å; R38-D63 PolarHBondContact NH2-OD1 3.35Å; R38-D63 IonicContact NH2-OD2 3.63Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.38Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact NE-OD2 3.58Å; D61-D63 PolarHBondContact O-N 3.39Å; D61-D63 PolarHBondContact OD1-N 2.92Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å
64	A	97.3	Very high	97.5	Very high	33 Å²	33	52.6 Å²	52.6	27%	0.273	29%	0.294	S	S	.	.	S	Bend	trans	-61.6	148.8	173	0	0	0	0	0	110.8	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.29Å; D61-A64 PolarHBondContact O-N 3.31Å; A64-S66 PolarHBondContact O-N 2.95Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-P67 WeakPolarHBondContact O-CD 3.31Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.33Å
65	A	96.6	Very high	97.5	Very high	119 Å²	119	50.4 Å²	50.4	98%	0.983	28%	0.282	S	S	*	.	S	Bend	trans	-58.5	-31.1	179.3	0	0	0	0	0	113
66	S	95.9	Very high	97.5	Very high	80 Å²	80	48.9 Å²	48.9	56%	0.559	27%	0.273	S	S	*	.	S	Bend	trans	-133.8	89.2	171.5	-169	0	0	0	0	109.1	A64 R68	A64-S66 PolarHBondContact O-N 2.95Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 2.93Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	97.1	Very high	97.4	Very high	35 Å²	35	52.2 Å²	52.2	23%	0.227	29%	0.288	C	S	.	.			trans	-64.6	112.1	-175.2	-24	35.2	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; S62-P67 WeakPolarHBondContact O-CG 3.36Å; A64-P67 WeakPolarHBondContact O-CD 3.31Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.33Å; P67-K92 WeakPolarHBondContact O-CE 3.33Å; P67-K92 PolarHBondContact O-NZ 3.4Å
68	R	97.8	Very high	97.3	Very high	149 Å²	149	58 Å²	58	56%	0.562	32%	0.315	S	S	*	.			trans	-146.5	159.7	177.7	63.2	-174.5	171.3	178.2	-1.3	110.7	S66 E70 T88	S66-R68 PolarHBondContact O-N 2.93Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-E70 HydrophobicContact CG-CG 4.35Å; R68-E70 PolarHBondContact O-N 2.88Å; R68-T88 HydrophobicContact CB-CG2 4.21Å
69	G	97.4	Very high	97.2	Very high	6 Å²	6	58.6 Å²	58.6	6%	0.062	32%	0.318	C	S	.	.			trans	-65.1	129.3	168.4	0	0	0	0	0	109.6	T88	G69-T88 PolarHBondContact N-OG1 3.28Å
70	E	97.8	Very high	97.1	Very high	57 Å²	57	56.3 Å²	56.3	27%	0.266	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.8	-179.2	-64.2	178.2	160.1	0	0	109.9	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.47Å; R59-E70 PolarHBondContact N-O 2.82Å; R59-E70 PolarHBondContact O-N 2.91Å; R68-E70 HydrophobicContact CG-CG 4.35Å; R68-E70 PolarHBondContact O-N 2.88Å; E70-R72 IonicContact OE2-CZ 2.6Å; E70-R72 IonicContact OE2-NH2 3.64Å; E70-R72 PolarHBondContact OE2-NH2 2.91Å
71	P	98	Very high	97	Very high	48 Å²	48	60.9 Å²	60.9	31%	0.312	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	144.8	173	28.7	-33.8	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.81Å; P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.81Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å
72	R	97.5	Very high	96.9	Very high	116 Å²	116	68.1 Å²	68.1	44%	0.438	38%	0.384	S	S	.	.			trans	-127	-2.1	175	-60.2	-64.5	172	179.3	-2.4	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.39Å; Q56-R72 CarbonylContact O-C 3.55Å; F57-R72 PolarHBondContact O-N 3.23Å; R59-R72 HydrophobicContact CB-CG 3.95Å; E70-R72 IonicContact OE2-CZ 2.6Å; E70-R72 IonicContact OE2-NH2 3.64Å; E70-R72 PolarHBondContact OE2-NH2 2.91Å
73	A	96.4	Very high	96.9	Very high	5 Å²	5	66.9 Å²	66.9	4%	0.041	37%	0.374	C	S	.	.	S	Bend	trans	-136.3	143.5	173.2	0	0	0	0	0	110.9	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.43Å; F57-A73 HydrophobicContact CB-CB 4.07Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.99Å; A73-W75 PolarHBondContact O-N 2.8Å; A73-V76 VanDerWaalsContact O-CG1 3.23Å; A73-V76 WeakPolarHBondContact O-CG1 3.4Å; A73-V76 PolarHBondContact O-N 3.37Å
74	P	96.2	Very high	96.9	Very high	99 Å²	99	65.4 Å²	65.4	64%	0.643	36%	0.363	S	S	*	.	H	α-helix	trans	-58.2	-37	-177.4	-27	35.2	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 3.46Å; P74-E77 WeakPolarHBondContact O-CB 3.37Å; P74-E77 PolarHBondContact O-N 3.01Å; P74-E77 VanDerWaalsContact O-N 3.09Å
75	W	96.1	Very high	96.9	Very high	16 Å²	16	69 Å²	69	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-70.2	-13.5	-175.7	53.2	-106.8	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.37Å; V52-W75 HydrophobicContact CB-CZ2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 3.99Å; F57-W75 HydrophobicContact CD1-CH2 3.99Å; F57-W75 AromaticContact CD2-CH2 3.72Å; F57-W75 HydrophobicContact CD2-CH2 3.72Å; F57-W75 AromaticContact CD2-CZ3 3.94Å; F57-W75 HydrophobicContact CD2-CZ3 3.94Å; F57-W75 AromaticContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CZ2 4.07Å; F57-W75 HydrophobicContact CG-CZ3 4.06Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.99Å; A73-W75 PolarHBondContact O-N 2.8Å; W75-Q78 WeakPolarHBondContact O-CG 3.44Å; W75-Q78 PolarHBondContact O-NE2 3.1Å; W75-Y195 HydrophobicContact CE3-CD1 4.21Å; W75-Y195 HydrophobicContact CE3-CG 4.45Å; W75-Y195 HydrophobicContact CH2-CG 4.11Å; W75-Y195 AromaticContact CZ3-CD1 3.55Å; W75-Y195 HydrophobicContact CZ3-CD1 3.55Å; W75-Y195 HydrophobicContact CZ3-CD2 4.28Å; W75-Y195 HydrophobicContact CZ3-CE1 4.28Å; W75-Y195 AromaticContact CZ3-CG 3.56Å; W75-Y195 HydrophobicContact CZ3-CG 3.56Å; W75-N198 HydrophobicContact CB-CB 4.48Å; W75-N198 WeakPolarHBondContact CB-O 3.48Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.35Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å
76	V	97.3	Very high	96.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-95.4	-15.6	172.1	72.4	0	0	0	0	112.2	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.33Å; F57-V76 HydrophobicContact CD2-CG1 4.43Å; F57-V76 HydrophobicContact CD2-CG2 4.08Å; F57-V76 VanDerWaalsContact O-CG1 3.27Å; F57-V76 WeakPolarHBondContact O-CG1 3.38Å; P71-V76 HydrophobicContact CB-CG1 3.81Å; A73-V76 VanDerWaalsContact O-CG1 3.23Å; A73-V76 WeakPolarHBondContact O-CG1 3.4Å; A73-V76 PolarHBondContact O-N 3.37Å; P74-V76 PolarHBondContact O-N 3.46Å; V76-Q78 PolarHBondContact O-N 2.88Å; V76-E79 HydrophobicContact CG2-CG 3.86Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.48Å; V76-E79 WeakPolarHBondContact O-CG 3.19Å; V76-E79 PolarHBondContact O-N 2.97Å; V76-Y83 HydrophobicContact CG2-CE1 4.09Å; V76-W84 HydrophobicContact CG1-CH2 4.08Å; V76-W84 HydrophobicContact CG1-CZ2 4.32Å; V76-W84 HydrophobicContact CG2-CH2 3.98Å; V76-W84 HydrophobicContact CG2-CZ2 4.04Å; V76-W84 WeakPolarHBondContact O-CZ2 2.96Å; V76-Y195 HydrophobicContact CG2-CE1 4.34Å
77	E	95.7	Very high	97	Very high	124 Å²	124	64.9 Å²	64.9	58%	0.579	33%	0.325	S	S	*	.	H	α-helix	trans	-63.2	-26.8	-180	-66	-178.3	-179.2	0	0	112.9	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P74-E77 WeakPolarHBondContact O-CB 3.37Å; P74-E77 PolarHBondContact O-N 3.01Å; P74-E77 VanDerWaalsContact O-N 3.09Å; E77-E79 PolarHBondContact O-N 3.38Å
78	Q	94.9	Very high	97.1	Very high	123 Å²	123	63.7 Å²	63.7	58%	0.575	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-12	174.9	63.8	-177.6	-21.2	0	0	114.2	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.44Å; W75-Q78 PolarHBondContact O-NE2 3.1Å; V76-Q78 PolarHBondContact O-N 2.88Å; Q78-N198 PolarHBondContact NE2-ND2 3.06Å
79	E	96.8	Very high	97.1	Very high	12 Å²	12	61.6 Å²	61.6	6%	0.056	31%	0.314	C	S	.	.	S	Bend	trans	-65.2	135.8	175.5	-66.7	-62.2	161.5	0	0	111	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.86Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.48Å; V76-E79 WeakPolarHBondContact O-CG 3.19Å; V76-E79 PolarHBondContact O-N 2.97Å; E77-E79 PolarHBondContact O-N 3.38Å; E79-Y83 HydrophobicContact CB-CD1 3.47Å; E79-Y83 VanDerWaalsContact CB-CD1 3.47Å; E79-Y83 HydrophobicContact CB-CE1 4.06Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 3.99Å; E79-Y83 HydrophobicContact CG-CD2 4.47Å; E79-Y83 HydrophobicContact CG-CE1 4.18Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; E79-W84 PolarHBondContact O-NE1 2.82Å; E79-R194 VanDerWaalsContact CD-NH2 3.34Å; E79-R194 IonicContact OE1-CZ 3.28Å; E79-R194 IonicContact OE1-NE 3.69Å; E79-R194 PolarHBondContact OE1-NE 3.39Å; E79-R194 IonicContact OE1-NH2 2.84Å; E79-R194 PolarHBondContact OE1-NH2 3.12Å; E79-R194 IonicContact OE2-CZ 3.23Å; E79-R194 IonicContact OE2-NE 2.75Å; E79-R194 IonicContact OE2-NH2 2.77Å; E79-R194 PolarHBondContact OE2-NH2 3.15Å; E79-N198 PolarHBondContact OE1-ND2 3.22Å
80	G	96	Very high	97.1	Very high	36 Å²	36	64.5 Å²	64.5	37%	0.371	32%	0.324	S	S	.	.			trans	-70.1	169.2	-174.6	0	0	0	0	0	114.3	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.47Å; G80-Y83 WeakPolarHBondContact O-CB 3.41Å; G80-Y83 PolarHBondContact O-N 2.93Å; G80-W84 PolarHBondContact O-N 3.4Å
81	P	96.8	Very high	97.1	Very high	100 Å²	100	62.3 Å²	62.3	65%	0.649	31%	0.314	S	S	*	.	H	α-helix	trans	-57.7	-35.4	-178.6	22.8	-33.6	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.04Å; P81-W84 PolarHBondContact O-N 2.92Å; P81-D85 WeakPolarHBondContact O-CB 3.12Å; P81-D85 PolarHBondContact O-N 2.98Å
82	E	97.4	Very high	97.1	Very high	167 Å²	167	64 Å²	64	78%	0.78	32%	0.316	S	S	*	.	H	α-helix	trans	-60.6	-35.3	177.9	-63	-178.2	178.1	0	0	112.9	G80 R86	G80-E82 PolarHBondContact O-N 3.47Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 PolarHBondContact O-N 2.86Å
83	Y	97.4	Very high	97.2	Very high	9 Å²	9	66.3 Å²	66.3	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-64.8	-52.3	174.5	168	-92.9	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CD1 3.47Å; E79-Y83 VanDerWaalsContact CB-CD1 3.47Å; E79-Y83 HydrophobicContact CB-CE1 4.06Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 3.99Å; E79-Y83 HydrophobicContact CG-CD2 4.47Å; E79-Y83 HydrophobicContact CG-CE1 4.18Å; E79-Y83 HydrophobicContact CG-CG 4.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.41Å; G80-Y83 PolarHBondContact O-N 2.93Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.04Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.25Å; Y83-R86 PolarHBondContact O-N 2.81Å; Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.06Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.63Å; Y83-E87 HydrophobicContact CG-CG 4.4Å; Y83-E87 WeakPolarHBondContact O-CG 3.09Å; Y83-E87 PolarHBondContact O-N 2.84Å; Y83-W191 AromaticContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CH2 3.5Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CZ2 4.24Å; Y83-W191 AromaticContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CE2-CE3 4.16Å; Y83-W191 AromaticContact CE2-CH2 3.88Å; Y83-W191 HydrophobicContact CE2-CH2 3.88Å; Y83-W191 AromaticContact CE2-CZ3 3.65Å; Y83-W191 HydrophobicContact CE2-CZ3 3.65Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.23Å; Y83-Y195 PolarHBondContact OH-OH 3.46Å
84	W	97.9	Very high	97.3	Very high	40 Å²	40	68.4 Å²	68.4	15%	0.152	33%	0.334	C	S	.	.	H	α-helix	trans	-63.4	-38.5	-177.8	-67.3	112	0	0	0	112.9	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.9Å; V58-W84 HydrophobicContact CG1-CZ3 3.83Å; P71-W84 HydrophobicContact CB-CH2 3.63Å; P71-W84 HydrophobicContact CB-CZ2 3.81Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.24Å; V76-W84 HydrophobicContact CG1-CH2 4.08Å; V76-W84 HydrophobicContact CG1-CZ2 4.32Å; V76-W84 HydrophobicContact CG2-CH2 3.98Å; V76-W84 HydrophobicContact CG2-CZ2 4.04Å; V76-W84 WeakPolarHBondContact O-CZ2 2.96Å; E79-W84 PolarHBondContact O-NE1 2.82Å; G80-W84 PolarHBondContact O-N 3.4Å; P81-W84 PolarHBondContact O-N 2.92Å; W84-T88 WeakPolarHBondContact O-CB 3.45Å; W84-T88 PolarHBondContact O-N 3.34Å; W84-T88 PolarHBondContact O-OG1 3Å
85	D	98	Very high	97.4	Very high	108 Å²	108	64.8 Å²	64.8	58%	0.578	31%	0.312	S	S	*	.	H	α-helix	trans	-64.5	-47.1	174.5	-75.6	-22.3	0	0	0	110.8	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.12Å; P81-D85 PolarHBondContact O-N 2.98Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.25Å; D85-T88 PolarHBondContact O-N 2.88Å; D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.44Å; D85-Q89 PolarHBondContact O-N 3.19Å
86	R	97.4	Very high	97.4	Very high	104 Å²	104	69.1 Å²	69.1	39%	0.392	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-46.9	178.8	-174.5	-177.3	67	-150.3	-6	112.1	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 PolarHBondContact O-N 2.86Å; Y83-R86 PolarHBondContact O-N 2.81Å; R86-Q89 PolarHBondContact O-N 2.94Å; R86-K90 WeakPolarHBondContact O-CG 3.44Å; R86-K90 PolarHBondContact O-N 2.68Å
87	E	97.4	Very high	97.5	Very high	9 Å²	9	71.2 Å²	71.2	4%	0.042	35%	0.35	C	S	.	.	H	α-helix	trans	-65.5	-42	178.4	-64	-42.8	117.7	0	0	111	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.06Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.63Å; Y83-E87 HydrophobicContact CG-CG 4.4Å; Y83-E87 WeakPolarHBondContact O-CG 3.09Å; Y83-E87 PolarHBondContact O-N 2.84Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.83Å; E87-K90 WeakPolarHBondContact O-CB 3.46Å; E87-K90 PolarHBondContact O-N 3.15Å; E87-K90 IonicContact OE1-NZ 3.73Å; E87-K90 PolarHBondContact OE1-NZ 3.39Å; E87-K90 WeakPolarHBondContact OE2-CD 3.42Å; E87-K90 IonicContact OE2-NZ 3.75Å; E87-K90 PolarHBondContact OE2-NZ 2.94Å; E87-Y91 HydrophobicContact CB-CE2 4.02Å; E87-Y91 WeakPolarHBondContact O-CD2 3.21Å; E87-Y91 PolarHBondContact O-N 3.13Å
88	T	98.4	Very high	97.6	Very high	10 Å²	10	65.7 Å²	65.7	6%	0.061	33%	0.325	C	S	.	.	H	α-helix	trans	-56.6	-43.6	173.5	-64.4	0	0	0	0	112.2	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.21Å; G69-T88 PolarHBondContact N-OG1 3.28Å; W84-T88 WeakPolarHBondContact O-CB 3.45Å; W84-T88 PolarHBondContact O-N 3.34Å; W84-T88 PolarHBondContact O-OG1 3Å; D85-T88 PolarHBondContact O-N 2.88Å; T88-Y91 PolarHBondContact O-N 3.44Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.33Å; T88-K92 PolarHBondContact O-N 3.41Å
89	Q	98.3	Very high	97.7	Very high	105 Å²	105	62.8 Å²	62.8	49%	0.491	31%	0.308	S	S	.	.	H	α-helix	trans	-69.3	-31.6	177.1	-67.8	-58.4	-25.8	0	0	112.9	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.44Å; D85-Q89 PolarHBondContact O-N 3.19Å; R86-Q89 PolarHBondContact O-N 2.94Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.83Å; Q89-R93 WeakPolarHBondContact O-CB 3.43Å; Q89-R93 WeakPolarHBondContact O-CG 3.32Å; Q89-R93 PolarHBondContact O-N 2.7Å; Q89-R93 VanDerWaalsContact O-N 3.07Å; Q89-R93 PolarHBondContact O-NE 2.99Å
90	K	97.3	Very high	97.7	Very high	67 Å²	67	65.6 Å²	65.6	29%	0.291	33%	0.326	S	S	.	.	H	α-helix	trans	-64.3	-49.4	171.6	-73.3	171.5	178	173.2	0	110.8	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.44Å; R86-K90 PolarHBondContact O-N 2.68Å; E87-K90 WeakPolarHBondContact O-CB 3.46Å; E87-K90 PolarHBondContact O-N 3.15Å; E87-K90 IonicContact OE1-NZ 3.73Å; E87-K90 PolarHBondContact OE1-NZ 3.39Å; E87-K90 WeakPolarHBondContact OE2-CD 3.42Å; E87-K90 IonicContact OE2-NZ 3.75Å; E87-K90 PolarHBondContact OE2-NZ 2.94Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.96Å; K90-R93 PolarHBondContact O-N 3.39Å; K90-R93 VanDerWaalsContact O-N 3.15Å; K90-Q94 PolarHBondContact O-N 3.13Å
91	Y	98.4	Very high	97.8	Very high	10 Å²	10	65.9 Å²	65.9	4%	0.039	32%	0.323	C	S	.	.	H	α-helix	trans	-58.9	-43.3	177.6	-61.5	-51.1	0	0	0	112.3	S48 V58 F60 E87 T88 R93 Q94 A95	S48-Y91 VanDerWaalsContact OG-CE1 3.27Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.34Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.36Å; F60-Y91 HydrophobicContact CB-CD1 4.16Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.03Å; F60-Y91 HydrophobicContact CB-CG 3.68Å; F60-Y91 HydrophobicContact CD1-CG 4.35Å; F60-Y91 AromaticContact CD2-CD2 3.66Å; F60-Y91 HydrophobicContact CD2-CD2 3.66Å; F60-Y91 AromaticContact CD2-CG 3.89Å; F60-Y91 HydrophobicContact CD2-CG 3.89Å; F60-Y91 AromaticContact CG-CD2 3.8Å; F60-Y91 HydrophobicContact CG-CD2 3.8Å; F60-Y91 AromaticContact CG-CG 3.72Å; F60-Y91 HydrophobicContact CG-CG 3.72Å; E87-Y91 HydrophobicContact CB-CE2 4.02Å; E87-Y91 WeakPolarHBondContact O-CD2 3.21Å; E87-Y91 PolarHBondContact O-N 3.13Å; T88-Y91 PolarHBondContact O-N 3.44Å; Y91-R93 PolarHBondContact O-N 2.95Å; Y91-Q94 PolarHBondContact O-N 3.46Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 3.46Å
92	K	98.3	Very high	97.9	Very high	85 Å²	85	61.6 Å²	61.6	37%	0.37	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-38.7	176.9	-73.7	177.5	179	175	0	112.8	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.31Å; F60-K92 HydrophobicContact CZ-CG 4.06Å; P67-K92 WeakPolarHBondContact O-CE 3.33Å; P67-K92 PolarHBondContact O-NZ 3.4Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.33Å; T88-K92 PolarHBondContact O-N 3.41Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.96Å; K92-Q96 WeakPolarHBondContact O-CG 3.34Å; K92-Q96 PolarHBondContact O-N 3.09Å
93	R	98.2	Very high	97.9	Very high	164 Å²	164	59.5 Å²	59.5	62%	0.619	28%	0.279	S	S	*	.	H	α-helix	trans	-67.3	-42.8	174.5	-76.3	-175.4	-69.6	167.8	-1.7	111.6	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.43Å; Q89-R93 WeakPolarHBondContact O-CG 3.32Å; Q89-R93 PolarHBondContact O-N 2.7Å; Q89-R93 VanDerWaalsContact O-N 3.07Å; Q89-R93 PolarHBondContact O-NE 2.99Å; K90-R93 PolarHBondContact O-N 3.39Å; K90-R93 VanDerWaalsContact O-N 3.15Å; Y91-R93 PolarHBondContact O-N 2.95Å; R93-Q96 PolarHBondContact O-N 3.3Å; R93-A97 PolarHBondContact O-N 2.95Å
94	Q	98.2	Very high	97.9	Very high	49 Å²	49	62.5 Å²	62.5	23%	0.229	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-45	176.5	-169.5	61.7	47.7	0	0	111.3	F46 K90 Y91 Q96 A97 D98	F46-Q94 HydrophobicContact CE2-CB 4.23Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.89Å; F46-Q94 HydrophobicContact CZ-CG 3.73Å; K90-Q94 PolarHBondContact O-N 3.13Å; Y91-Q94 PolarHBondContact O-N 3.46Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.06Å; Q94-A97 CarbonylContact O-C 3.51Å; Q94-A97 WeakPolarHBondContact O-CB 3.36Å; Q94-A97 PolarHBondContact O-N 3.38Å; Q94-D98 PolarHBondContact NE2-OD1 3.28Å; Q94-D98 PolarHBondContact O-N 3.02Å
95	A	98.3	Very high	97.9	Very high	22 Å²	22	60.9 Å²	60.9	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-56.8	-39.9	176.3	0	0	0	0	0	112.9	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.67Å; F46-A95 HydrophobicContact CD1-CB 3.74Å; F46-A95 HydrophobicContact CD2-CB 4.11Å; F46-A95 HydrophobicContact CE1-CB 4.42Å; F46-A95 HydrophobicContact CG-CB 3.56Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 3.46Å; A95-R99 WeakPolarHBondContact O-CB 3.33Å; A95-R99 PolarHBondContact O-N 3.46Å
96	Q	98	Very high	97.9	Very high	108 Å²	108	58.7 Å²	58.7	51%	0.505	27%	0.274	S	S	.	.	H	α-helix	trans	-69.5	-40.3	174.7	-69.4	-66.8	-20.5	0	0	112.2	K92 R93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 3.34Å; K92-Q96 PolarHBondContact O-N 3.09Å; R93-Q96 PolarHBondContact O-N 3.3Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.06Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 3.44Å; Q96-V100 WeakPolarHBondContact O-CG2 3.27Å; Q96-V100 PolarHBondContact O-N 3.48Å; Q96-V100 VanDerWaalsContact O-N 3.15Å
97	A	97.4	Very high	97.9	Very high	44 Å²	44	55.8 Å²	55.8	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-42.8	176	0	0	0	0	0	111.6	R93 Q94 V100 S101	R93-A97 PolarHBondContact O-N 2.95Å; Q94-A97 CarbonylContact O-C 3.51Å; Q94-A97 WeakPolarHBondContact O-CB 3.36Å; Q94-A97 PolarHBondContact O-N 3.38Å; A97-V100 PolarHBondContact O-N 3.3Å; A97-S101 WeakPolarHBondContact O-CB 3.37Å; A97-S101 PolarHBondContact O-N 2.99Å; A97-S101 PolarHBondContact O-OG 3.25Å
98	D	98.1	Very high	97.9	Very high	7 Å²	7	58 Å²	58	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-68.3	-37.6	178.8	-73.5	1.7	0	0	0	111.8	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.65Å; F46-D98 HydrophobicContact CD2-CB 4.5Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.41Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.45Å; Q94-D98 PolarHBondContact NE2-OD1 3.28Å; Q94-D98 PolarHBondContact O-N 3.02Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 2.97Å; D98-S101 PolarHBondContact O-N 2.95Å; D98-L102 WeakPolarHBondContact O-CB 3.49Å; D98-L102 WeakPolarHBondContact O-CG 3.42Å; D98-L102 PolarHBondContact O-N 2.93Å; D98-L119 HydrophobicContact CB-CD2 4.12Å
99	R	97.9	Very high	97.9	Very high	62 Å²	62	60.9 Å²	60.9	23%	0.234	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-44.3	171.5	176.1	-171.1	-178.1	-157.1	2.3	112	E43 P44 A95 Q96 R103	E43-R99 VanDerWaalsContact CD-NE 3.29Å; E43-R99 IonicContact OE1-CZ 3.32Å; E43-R99 VanDerWaalsContact OE1-CZ 3.29Å; E43-R99 IonicContact OE1-NE 2.76Å; E43-R99 IonicContact OE1-NH2 3.11Å; E43-R99 PolarHBondContact OE1-NH2 3.48Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 3.07Å; E43-R99 IonicContact OE2-NE 2.8Å; E43-R99 PolarHBondContact OE2-NE 3.35Å; E43-R99 IonicContact OE2-NH2 3.53Å; E43-R99 PolarHBondContact OE2-NH2 2.89Å; E43-R99 VanDerWaalsContact OE2-NH2 3.15Å; P44-R99 HydrophobicContact CG-CB 4.4Å; P44-R99 HydrophobicContact CG-CG 4.19Å; A95-R99 WeakPolarHBondContact O-CB 3.33Å; A95-R99 PolarHBondContact O-N 3.46Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 3.44Å; R99-R103 PolarHBondContact O-N 2.95Å
100	V	97.8	Very high	97.8	Very high	71 Å²	71	63.1 Å²	63.1	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-68.7	-41	176.1	174.1	0	0	0	0	110.4	Q96 A97 D98 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.27Å; Q96-V100 PolarHBondContact O-N 3.48Å; Q96-V100 VanDerWaalsContact O-N 3.15Å; A97-V100 PolarHBondContact O-N 3.3Å; D98-V100 VanDerWaalsContact C-N 3.31Å; D98-V100 PolarHBondContact O-N 2.97Å; V100-R103 PolarHBondContact O-N 3.32Å; V100-N104 PolarHBondContact O-N 2.7Å; V100-N104 PolarHBondContact O-ND2 3.46Å
101	S	98.1	Very high	97.8	Very high	43 Å²	43	62.7 Å²	62.7	30%	0.301	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-44.1	179.3	-60.6	0	0	0	0	112	A97 D98 R103 N104 L105	A97-S101 WeakPolarHBondContact O-CB 3.37Å; A97-S101 PolarHBondContact O-N 2.99Å; A97-S101 PolarHBondContact O-OG 3.25Å; D98-S101 PolarHBondContact O-N 2.95Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.47Å; S101-N104 PolarHBondContact O-N 2.99Å; S101-N104 VanDerWaalsContact O-N 3.12Å; S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 WeakPolarHBondContact O-CD1 3.24Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.26Å; S101-L105 PolarHBondContact O-N 3.4Å
102	L	98.4	Very high	97.7	Very high	9 Å²	9	65.8 Å²	65.8	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-56.3	-40.9	174.4	-77.3	167.6	0	0	0	112.2	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.89Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.85Å; D98-L102 WeakPolarHBondContact O-CB 3.49Å; D98-L102 WeakPolarHBondContact O-CG 3.42Å; D98-L102 PolarHBondContact O-N 2.93Å; L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 3.29Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L102-Y142 HydrophobicContact CD2-CE2 4.04Å
103	R	96.9	Very high	97.4	Very high	124 Å²	124	67.8 Å²	67.8	47%	0.468	34%	0.343	S	S	.	.	H	α-helix	trans	-67	-42.4	175.9	-65.3	177.8	-165.1	174.4	-0.7	112.2	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 2.95Å; V100-R103 PolarHBondContact O-N 3.32Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 3.47Å; R103-G107 PolarHBondContact O-N 3.44Å; R103-G107 VanDerWaalsContact O-N 3.16Å
104	N	97.8	Very high	97.1	Very high	71 Å²	71	67 Å²	67	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-46.5	178.5	-69.1	-23.3	0	0	0	111.1	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 2.7Å; V100-N104 PolarHBondContact O-ND2 3.46Å; S101-N104 PolarHBondContact O-N 2.99Å; S101-N104 VanDerWaalsContact O-N 3.12Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.43Å; N104-G107 PolarHBondContact O-N 3.47Å; N104-G107 VanDerWaalsContact O-N 3.12Å; N104-Y108 HydrophobicContact CB-CE2 4.41Å; N104-Y108 WeakPolarHBondContact O-CD1 3.41Å; N104-Y108 VanDerWaalsContact O-CG 3.27Å; N104-Y108 PolarHBondContact O-N 3.42Å
105	L	98.3	Very high	96.8	Very high	6 Å²	6	65.6 Å²	65.6	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-60	-49	179	-71.3	164.2	0	0	0	111	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 WeakPolarHBondContact O-CD1 3.24Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.26Å; S101-L105 PolarHBondContact O-N 3.4Å; L105-G107 PolarHBondContact O-N 3.49Å; L105-Y108 PolarHBondContact O-N 3.31Å; L105-Y109 HydrophobicContact CD2-CE2 4.19Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.44Å; L105-Y109 PolarHBondContact O-N 2.88Å; L105-L119 HydrophobicContact CD1-CD1 3.91Å; L105-L119 HydrophobicContact CD1-CD2 4.27Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.08Å; L105-Y142 HydrophobicContact CB-CE2 3.73Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.56Å; L105-Y142 HydrophobicContact CD1-CE2 3.89Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CD2-CG 4.45Å; L105-Y142 HydrophobicContact CG-CD2 4.31Å; L105-Y142 HydrophobicContact CG-CE2 4.39Å; L105-Y147 HydrophobicContact CD2-CD1 4.31Å; L105-Y147 HydrophobicContact CD2-CD2 3.99Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.36Å; L105-Y147 HydrophobicContact CD2-CG 4.42Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.38Å
106	R	97.3	Very high	96.8	Very high	62 Å²	62	68.3 Å²	68.3	23%	0.234	37%	0.367	C	S	.	.	H	α-helix	trans	-52	-42.9	173.5	-172.7	-173.5	66.4	174.3	10.4	112.1	L102 N110 Q111 S112 E113	L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 3.29Å; R106-N110 PolarHBondContact O-N 3.43Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 PolarHBondContact O-N 2.9Å; R106-S112 WeakPolarHBondContact CD-O 3.5Å; R106-E113 IonicContact CZ-OE1 3.29Å; R106-E113 IonicContact NH1-OE1 2.62Å; R106-E113 IonicContact NH2-OE1 3.15Å; R106-E113 PolarHBondContact NH2-OE1 2.67Å
107	G	97.4	Very high	96.8	Very high	44 Å²	44	63.9 Å²	63.9	45%	0.454	35%	0.347	S	S	.	.	H	α-helix	trans	-66.1	-45.9	175.3	0	0	0	0	0	113.5	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.44Å; R103-G107 VanDerWaalsContact O-N 3.16Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.43Å; N104-G107 PolarHBondContact O-N 3.47Å; N104-G107 VanDerWaalsContact O-N 3.12Å; L105-G107 PolarHBondContact O-N 3.49Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.27Å; G107-N110 PolarHBondContact O-N 3.32Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 3.42Å
108	Y	98	Very high	96.9	Very high	56 Å²	56	63.6 Å²	63.6	22%	0.22	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-35.2	179.5	-62.1	-16.6	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.41Å; N104-Y108 WeakPolarHBondContact O-CD1 3.41Å; N104-Y108 VanDerWaalsContact O-CG 3.27Å; N104-Y108 PolarHBondContact O-N 3.42Å; L105-Y108 PolarHBondContact O-N 3.31Å; Y108-I166 HydrophobicContact CD1-CD1 4.12Å; Y108-I166 HydrophobicContact CE1-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CG2 4.05Å; Y108-I166 HydrophobicContact CE2-CB 4.27Å; Y108-I166 HydrophobicContact CE2-CG2 4.15Å; Y108-I166 HydrophobicContact CG-CD1 4.19Å; Y108-K170 PolarHBondContact OH-NZ 2.89Å
109	Y	97.9	Very high	96.9	Very high	69 Å²	69	63.8 Å²	63.8	27%	0.271	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	3.6	178.4	-69.2	-70.9	0	0	0	113.9	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.19Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.44Å; L105-Y109 PolarHBondContact O-N 2.88Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.27Å; Y109-Q111 PolarHBondContact O-N 2.93Å; Y109-Y142 AromaticContact CD2-CD1 3.77Å; Y109-Y142 HydrophobicContact CD2-CD1 3.77Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.57Å; Y109-Y142 HydrophobicContact CE2-CD1 3.57Å; Y109-Y142 AromaticContact CE2-CE1 3.88Å; Y109-Y142 HydrophobicContact CE2-CE1 3.88Å; Y109-Y142 HydrophobicContact CG-CE1 4.46Å; Y109-Y147 HydrophobicContact CE2-CD2 4.35Å; Y109-Y147 HydrophobicContact CE2-CE2 4.05Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.36Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.5Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.39Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.94Å; Y109-D161 PolarHBondContact OH-OD2 3.2Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	97.1	Very high	97	Very high	152 Å²	152	64.5 Å²	64.5	81%	0.813	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.1	-177.4	-56.6	-57.8	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 3.43Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3.32Å; G107-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-OD1 3.42Å
111	Q	97.3	Very high	97	Very high	59 Å²	59	63.4 Å²	63.4	28%	0.276	34%	0.336	S	S	.	.			trans	-85.8	154.6	-177.7	-69.5	168.7	-35.7	0	0	111.6	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 PolarHBondContact O-N 2.9Å; Y109-Q111 PolarHBondContact O-N 2.93Å; Q111-H117 PolarHBondContact NE2-CE1 3.21Å; Q111-H117 PolarHBondContact OE1-CE1 2.63Å; Q111-H117 PolarHBondContact OE1-ND1 3.22Å; Q111-Y142 PolarHBondContact OE1-OH 3.4Å; Q111-D143 PolarHBondContact NE2-OD2 2.74Å
112	S	94.9	Very high	97	Very high	74 Å²	74	62.3 Å²	62.3	52%	0.517	33%	0.326	S	S	.	.			trans	-70.4	157	-179.6	68.9	0	0	0	0	112.4	R106 D114	R106-S112 WeakPolarHBondContact CD-O 3.5Å; S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 2.82Å
113	E	91.7	Very high	97	Very high	128 Å²	128	62.2 Å²	62.2	60%	0.598	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.4	178.3	-58.7	-151.6	126	0	0	113.7	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.36Å; R106-E113 IonicContact CZ-OE1 3.29Å; R106-E113 IonicContact NH1-OE1 2.62Å; R106-E113 IonicContact NH2-OE1 3.15Å; R106-E113 PolarHBondContact NH2-OE1 2.67Å; E113-G115 VanDerWaalsContact C-N 3.29Å
114	D	91.9	Very high	97.1	Very high	147 Å²	147	56.3 Å²	56.3	79%	0.786	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-10	-178.3	-58	-40.5	0	0	0	112.9	S112	S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 2.82Å
115	G	93.6	Very high	97.1	Very high	19 Å²	19	52.9 Å²	52.9	20%	0.196	29%	0.286	C	S	.	.			trans	-74.3	132.1	178	0	0	0	0	0	113.1	P39 E113 H117	P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.14Å; E113-G115 VanDerWaalsContact C-N 3.29Å; G115-H117 PolarHBondContact O-CD2 3.2Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å
116	S	97.4	Very high	97.1	Very high	79 Å²	79	53.7 Å²	53.7	55%	0.552	29%	0.29	S	S	*	.			trans	-79.7	132.3	165.1	-176.3	0	0	0	0	109.2	S37	S37-S116 PolarHBondContact O-OG 3.06Å
117	H	98.4	Very high	97.1	Very high	15 Å²	15	50.9 Å²	50.9	7%	0.069	28%	0.279	C	S	.	.			trans	-132.4	148.6	-176.2	-65	-70.6	0	0	0	110.7	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.35Å; S37-H117 PolarHBondContact N-O 3.31Å; S37-H117 PolarHBondContact OG-N 3.28Å; S37-H117 PolarHBondContact OG-O 3.01Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; Q111-H117 PolarHBondContact NE2-CE1 3.21Å; Q111-H117 PolarHBondContact OE1-CE1 2.63Å; Q111-H117 PolarHBondContact OE1-ND1 3.22Å; G115-H117 PolarHBondContact O-CD2 3.2Å; G115-H117 VanDerWaalsContact O-CD2 3.24Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.22Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.95Å; H117-D143 WeakPolarHBondContact CA-OD1 3.43Å; H117-D143 IonicContact CE1-OD2 2.78Å; H117-D143 IonicContact CG-OD1 3.25Å; H117-D143 IonicContact CG-OD2 2.72Å; H117-D143 IonicContact ND1-OD1 2.75Å; H117-D143 IonicContact ND1-OD2 3.58Å; H117-D143 PolarHBondContact ND1-OD2 2.98Å
118	T	98.8	Very high	96.9	Very high	39 Å²	39	49.2 Å²	49.2	24%	0.239	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.5	-176.6	-55.3	0	0	0	0	110.2	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.12Å; A35-T118 WeakPolarHBondContact O-CA 3.46Å; V36-T118 HydrophobicContact CG2-CG2 4.24Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.37Å; T118-Y142 WeakPolarHBondContact O-CD2 3.41Å; T118-D143 PolarHBondContact N-OD1 2.9Å; T118-D143 PolarHBondContact O-N 3.34Å
119	L	98.8	Very high	96.5	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.052	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.5	168.7	174.8	62.1	0	0	0	108.2	T34 A35 D98 L102 L105	T34-L119 WeakPolarHBondContact CA-O 3.45Å; A35-L119 HydrophobicContact CB-CB 4.44Å; A35-L119 PolarHBondContact N-O 3.17Å; A35-L119 PolarHBondContact O-N 2.76Å; D98-L119 HydrophobicContact CB-CD2 4.12Å; L102-L119 HydrophobicContact CD2-CB 3.66Å; L102-L119 HydrophobicContact CG-CB 4.09Å; L105-L119 HydrophobicContact CD1-CD1 3.91Å; L105-L119 HydrophobicContact CD1-CD2 4.27Å
120	Q	98.8	Very high	96	Very high	78 Å²	78	52.3 Å²	52.3	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.4	176.8	-63.8	173.1	-85.6	0	0	109.3	D33 T34 T118 S140 A141	D33-Q120 CarbonylContact O-C 3.59Å; D33-Q120 VanDerWaalsContact O-CA 3.3Å; D33-Q120 WeakPolarHBondContact O-CA 3.32Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; Q120-S140 CarbonylContact O-C 3.52Å; Q120-S140 WeakPolarHBondContact O-CA 3.47Å; Q120-A141 HydrophobicContact CB-CB 4.45Å; Q120-A141 PolarHBondContact N-O 2.63Å; Q120-A141 PolarHBondContact O-N 3.5Å
121	R	98.6	Very high	95.7	Very high	47 Å²	47	45.9 Å²	45.9	18%	0.177	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.2	172.4	175.8	170.5	171.8	-107.2	6.1	110	F32 D33 D138 Q139	F32-R121 WeakPolarHBondContact CA-O 3.33Å; D33-R121 HydrophobicContact CB-CB 4.27Å; D33-R121 PolarHBondContact N-O 2.87Å; D33-R121 PolarHBondContact O-N 2.95Å; D33-R121 IonicContact OD2-NH1 2.67Å; R121-D138 IonicContact CZ-OD1 3.68Å; R121-D138 VanDerWaalsContact CZ-OD1 3.24Å; R121-D138 IonicContact NE-OD1 3.1Å; R121-D138 PolarHBondContact NE-OD1 2.91Å; R121-D138 VanDerWaalsContact NE-OD1 3.09Å; R121-D138 IonicContact NE-OD2 3.51Å; R121-D138 IonicContact NH2-OD1 2.66Å; R121-D138 PolarHBondContact NH2-OD1 3.45Å; R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 VanDerWaalsContact CA-O 3.3Å; R121-Q139 WeakPolarHBondContact CA-O 3.46Å
122	M	98.6	Very high	95.5	Very high	21 Å²	21	51.2 Å²	51.2	10%	0.103	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.9	168	-175.1	-79.9	-76.1	0	0	108.3	Y31 F32 Y137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.25Å; F32-M122 HydrophobicContact CD1-CB 4.02Å; F32-M122 HydrophobicContact CD1-CG 3.71Å; F32-M122 HydrophobicContact CE1-CB 4.14Å; F32-M122 HydrophobicContact CE1-CG 3.42Å; F32-M122 VanDerWaalsContact CE1-CG 3.42Å; F32-M122 HydrophobicContact CZ-CG 4.08Å; M122-Y137 HydrophobicContact CE-CD1 3.84Å; M122-Y137 HydrophobicContact CE-CG 3.97Å; M122-Y137 HydrophobicContact SD-CG 4.3Å; M122-D138 WeakPolarHBondContact O-CA 3.38Å; M122-Q139 HydrophobicContact CB-CG 4.09Å; M122-Q139 HydrophobicContact CE-CG 3.92Å; M122-Q139 PolarHBondContact N-O 2.87Å; M122-Q139 PolarHBondContact O-N 3.5Å
123	S	98.1	Very high	95.6	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.1	174.5	63.3	0	0	0	0	110.8	R30 Y31 Y137	R30-S123 WeakPolarHBondContact CA-O 3.24Å; Y31-S123 PolarHBondContact N-O 3Å; Y31-S123 PolarHBondContact O-N 3.38Å; S123-Y137 VanDerWaalsContact CA-O 3.24Å; S123-Y137 WeakPolarHBondContact CA-O 3.04Å
124	G	98.3	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-176.6	-177.9	0	0	0	0	0	114.7	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.27Å; G124-G136 CarbonylContact O-C 3.55Å; G124-Y137 PolarHBondContact N-O 2.84Å; G124-Y137 PolarHBondContact O-N 3.43Å; G124-L184 WeakPolarHBondContact O-CD2 3.36Å
125	C	98.4	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	148.7	-177.8	54.3	0	0	0	0	111.3	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.46Å; M29-C125 PolarHBondContact N-O 3.31Å; M29-C125 PolarHBondContact O-N 3.42Å; C125-L133 HydrophobicContact CB-CD1 3.55Å; C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.42Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.4Å; C125-C188 PolarHBondContact N-SG 2.89Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.46Å
126	D	97.9	Very high	96.2	Very high	22 Å²	22	46.7 Å²	46.7	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.5	173.2	-62.7	-2.1	0	0	0	108.8	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.49Å; H27-D126 WeakPolarHBondContact O-CA 3.17Å; S28-D126 WeakPolarHBondContact CB-OD1 3.34Å; R30-D126 IonicContact CZ-OD1 2.71Å; R30-D126 IonicContact NE-OD1 3.39Å; R30-D126 PolarHBondContact NE-OD1 3.41Å; R30-D126 VanDerWaalsContact NE-OD1 3.07Å; R30-D126 IonicContact NH2-OD1 3.1Å; R30-D126 PolarHBondContact NH2-OD1 3.45Å; R30-D126 IonicContact NH2-OD2 3.66Å; R30-D126 PolarHBondContact NH2-OD2 2.91Å; D126-L134 HydrophobicContact CB-CB 4.39Å; D126-L134 PolarHBondContact O-N 2.82Å; D126-R135 HydrophobicContact CB-CB 4.46Å; D126-R135 PolarHBondContact N-O 3.19Å; D126-R135 PolarHBondContact O-N 2.89Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.46Å; D126-Y137 PolarHBondContact OD2-OH 3.02Å
127	L	96.9	Very high	96.3	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.2	174.6	-56	-176.9	0	0	0	110	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.24Å; S26-L127 WeakPolarHBondContact CA-O 3.34Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å; H27-L127 PolarHBondContact N-O 2.93Å; H27-L127 VanDerWaalsContact N-O 3.12Å; H27-L127 PolarHBondContact O-N 3.47Å; L127-R132 CarbonylContact C-O 3.54Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.2Å; L127-V189 HydrophobicContact CD1-CG1 4.44Å; L127-V189 HydrophobicContact CD2-CB 4.13Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.77Å; L127-L192 HydrophobicContact CB-CD2 4.5Å; L127-L192 HydrophobicContact CD1-CB 4.21Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CG-CD2 3.59Å; L127-L192 HydrophobicContact CG-CG 4.25Å; L127-R193 HydrophobicContact CD1-CG 3.93Å
128	G	93.4	Very high	96.3	Very high	8 Å²	8	44.4 Å²	44.4	8%	0.082	22%	0.222	C	C	.	.			trans	-69.5	174.9	165	0	0	0	0	0	111.9	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.09Å; G128-G131 WeakPolarHBondContact O-CA 3.27Å; G128-G131 PolarHBondContact O-N 3.13Å; G128-R132 PolarHBondContact N-O 2.86Å
129	P	89	Confident	96.3	Very high	88 Å²	88	46.2 Å²	46.2	57%	0.571	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.8	179.5	-18.6	29.6	0	0	0	113.6	A24 G131	A24-P129 HydrophobicContact CB-CB 3.82Å; A24-P129 HydrophobicContact CB-CG 3.19Å; P129-G131 PolarHBondContact O-N 3.4Å
130	D	89.1	Confident	96.2	Very high	102 Å²	102	46.8 Å²	46.8	55%	0.545	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	3.7	173.9	70.1	-13.5	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 3.09Å; D130-R132 PolarHBondContact O-N 3.41Å; D130-R132 WeakPolarHBondContact OD1-CB 3.35Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.33Å; D130-R132 WeakPolarHBondContact OD2-CG 3.39Å; D130-R132 IonicContact OD2-CZ 3.59Å; D130-R132 IonicContact OD2-NE 3.66Å; D130-R132 IonicContact OD2-NH1 2.91Å
131	G	89.4	Confident	96.2	Very high	18 Å²	18	43.8 Å²	43.8	19%	0.186	22%	0.221	C	C	.	.	S	Bend	trans	72.1	9.1	-178.5	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.27Å; G128-G131 PolarHBondContact O-N 3.13Å; P129-G131 PolarHBondContact O-N 3.4Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.65Å; G131-R193 PolarHBondContact O-NH2 3.11Å
132	R	93.8	Very high	96.3	Very high	171 Å²	171	42 Å²	42	65%	0.645	21%	0.214	S	C	*	.	S	Bend	trans	-87.7	154.3	178.6	-62.5	-173.8	-176.5	163	-2.5	111.4	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.54Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.2Å; G128-R132 PolarHBondContact N-O 2.86Å; D130-R132 PolarHBondContact O-N 3.41Å; D130-R132 WeakPolarHBondContact OD1-CB 3.35Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.33Å; D130-R132 WeakPolarHBondContact OD2-CG 3.39Å; D130-R132 IonicContact OD2-CZ 3.59Å; D130-R132 IonicContact OD2-NE 3.66Å; D130-R132 IonicContact OD2-NH1 2.91Å; R132-L134 PolarHBondContact O-N 3.28Å; R132-L134 VanDerWaalsContact O-N 3.13Å
133	L	96.7	Very high	96.2	Very high	51 Å²	51	44 Å²	44	27%	0.267	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	118.4	175.1	-176	73.1	0	0	0	109.8	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.55Å; L133-R135 WeakPolarHBondContact CD1-O 3Å; L133-L154 HydrophobicContact CD2-CD1 4.12Å; L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; L133-V189 HydrophobicContact CB-CG2 3.99Å; L133-V189 HydrophobicContact CD1-CG2 4.02Å
134	L	96.2	Very high	96.2	Very high	124 Å²	124	46.5 Å²	46.5	65%	0.649	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	-46.6	170.1	-176.5	67.4	0	0	0	110	D126 R132	D126-L134 HydrophobicContact CB-CB 4.39Å; D126-L134 PolarHBondContact O-N 2.82Å; R132-L134 PolarHBondContact O-N 3.28Å; R132-L134 VanDerWaalsContact O-N 3.13Å
135	R	96.7	Very high	96.2	Very high	93 Å²	93	54.1 Å²	54.1	35%	0.351	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	143.7	-177.1	-172.8	161.4	169	149	12.9	112	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.57Å; C125-R135 WeakPolarHBondContact CA-O 3.42Å; D126-R135 HydrophobicContact CB-CB 4.46Å; D126-R135 PolarHBondContact N-O 3.19Å; D126-R135 PolarHBondContact O-N 2.89Å; L133-R135 WeakPolarHBondContact CD1-O 3Å; R135-Y137 HydrophobicContact CB-CE2 4Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 WeakPolarHBondContact CD-OH 3.4Å; R135-Y137 HydrophobicContact CG-CD2 4.38Å; R135-Y137 HydrophobicContact CG-CE1 4.09Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 3.07Å; R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.09Å; R135-E152 VanDerWaalsContact NH1-CD 3.28Å; R135-E152 IonicContact NH1-OE1 2.63Å; R135-E152 PolarHBondContact NH1-OE1 2.85Å; R135-E152 IonicContact NH1-OE2 3.79Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 3.24Å; R135-E152 PolarHBondContact NH2-OE1 3.39Å
136	G	97.9	Very high	96.3	Very high	5 Å²	5	60.3 Å²	60.3	5%	0.052	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	151.4	171.1	0	0	0	0	0	111.3	G124	G124-G136 CarbonylContact O-C 3.55Å
137	Y	98	Very high	96.3	Very high	34 Å²	34	59.7 Å²	59.7	13%	0.133	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.7	-176.6	-57.5	-93.6	0	0	0	111	R30 M122 S123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.29Å; R30-Y137 PolarHBondContact NH2-OH 3.3Å; M122-Y137 HydrophobicContact CE-CD1 3.84Å; M122-Y137 HydrophobicContact CE-CG 3.97Å; M122-Y137 HydrophobicContact SD-CG 4.3Å; S123-Y137 VanDerWaalsContact CA-O 3.24Å; S123-Y137 WeakPolarHBondContact CA-O 3.04Å; G124-Y137 PolarHBondContact N-O 2.84Å; G124-Y137 PolarHBondContact O-N 3.43Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.46Å; D126-Y137 PolarHBondContact OD2-OH 3.02Å; R135-Y137 HydrophobicContact CB-CE2 4Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 WeakPolarHBondContact CD-OH 3.4Å; R135-Y137 HydrophobicContact CG-CD2 4.38Å; R135-Y137 HydrophobicContact CG-CE1 4.09Å; R135-Y137 HydrophobicContact CG-CE2 3.69Å; R135-Y137 PolarHBondContact NE-OH 3.07Å
138	D	98.4	Very high	96.4	Very high	11 Å²	11	60 Å²	60	6%	0.059	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	106.3	160.8	-167.9	106.7	0	0	0	107.7	R121 M122 L150 L180	R121-D138 IonicContact CZ-OD1 3.68Å; R121-D138 VanDerWaalsContact CZ-OD1 3.24Å; R121-D138 IonicContact NE-OD1 3.1Å; R121-D138 PolarHBondContact NE-OD1 2.91Å; R121-D138 VanDerWaalsContact NE-OD1 3.09Å; R121-D138 IonicContact NE-OD2 3.51Å; R121-D138 IonicContact NH2-OD1 2.66Å; R121-D138 PolarHBondContact NH2-OD1 3.45Å; M122-D138 WeakPolarHBondContact O-CA 3.38Å; D138-L150 HydrophobicContact CB-CB 3.98Å; D138-L150 HydrophobicContact CB-CD2 4.2Å; D138-L150 WeakPolarHBondContact O-CB 3.24Å; D138-L150 PolarHBondContact O-N 3.04Å; D138-L180 HydrophobicContact CB-CD1 4.22Å; D138-L180 WeakPolarHBondContact OD1-CD2 3.3Å
139	Q	98.6	Very high	96.6	Very high	77 Å²	77	61 Å²	61	36%	0.36	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.8	-177.4	63.1	-171.4	50.6	0	0	110.7	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 VanDerWaalsContact CA-O 3.3Å; R121-Q139 WeakPolarHBondContact CA-O 3.46Å; M122-Q139 HydrophobicContact CB-CG 4.09Å; M122-Q139 HydrophobicContact CE-CG 3.92Å; M122-Q139 PolarHBondContact N-O 2.87Å; M122-Q139 PolarHBondContact O-N 3.5Å; Q139-I148 WeakPolarHBondContact CA-O 3.31Å; Q139-A149 HydrophobicContact CB-CB 3.85Å
140	S	98.6	Very high	97.1	Very high	22 Å²	22	57.4 Å²	57.4	15%	0.154	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.1	-179.2	-55.3	0	0	0	0	111.2	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.52Å; Q120-S140 WeakPolarHBondContact O-CA 3.47Å; S140-Y147 WeakPolarHBondContact O-CB 3.13Å; S140-Y147 PolarHBondContact O-N 3.01Å; S140-I148 PolarHBondContact N-O 3.09Å; S140-I148 PolarHBondContact O-N 3.19Å
141	A	98.8	Very high	97.6	Very high	15 Å²	15	54.7 Å²	54.7	12%	0.124	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.2	175.2	0	0	0	0	0	110.4	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.45Å; Q120-A141 PolarHBondContact N-O 2.63Å; Q120-A141 PolarHBondContact O-N 3.5Å; A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.33Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.25Å
142	Y	98.8	Very high	97.9	Very high	10 Å²	10	60.2 Å²	60.2	4%	0.039	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128	177.2	-175.3	-117.3	0	0	0	110.1	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.04Å; L105-Y142 HydrophobicContact CB-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.08Å; L105-Y142 HydrophobicContact CB-CE2 3.73Å; L105-Y142 HydrophobicContact CB-CG 4.41Å; L105-Y142 HydrophobicContact CD1-CD2 3.56Å; L105-Y142 HydrophobicContact CD1-CE2 3.89Å; L105-Y142 HydrophobicContact CD1-CG 4.07Å; L105-Y142 HydrophobicContact CD2-CG 4.45Å; L105-Y142 HydrophobicContact CG-CD2 4.31Å; L105-Y142 HydrophobicContact CG-CE2 4.39Å; Y109-Y142 AromaticContact CD2-CD1 3.77Å; Y109-Y142 HydrophobicContact CD2-CD1 3.77Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.57Å; Y109-Y142 HydrophobicContact CE2-CD1 3.57Å; Y109-Y142 AromaticContact CE2-CE1 3.88Å; Y109-Y142 HydrophobicContact CE2-CE1 3.88Å; Y109-Y142 HydrophobicContact CG-CE1 4.46Å; Q111-Y142 PolarHBondContact OE1-OH 3.4Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.22Å; H117-Y142 AromaticContact CG-CZ 3.97Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.95Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.37Å; T118-Y142 WeakPolarHBondContact O-CD2 3.41Å; Y142-G144 PolarHBondContact O-N 2.96Å; Y142-K145 PolarHBondContact N-O 2.8Å; Y142-K145 PolarHBondContact O-N 2.84Å
143	D	98.3	Very high	98.1	Very high	62 Å²	62	55.8 Å²	55.8	33%	0.332	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.1	-174.7	-66.5	-23.6	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.74Å; H117-D143 WeakPolarHBondContact CA-OD1 3.43Å; H117-D143 IonicContact CE1-OD2 2.78Å; H117-D143 IonicContact CG-OD1 3.25Å; H117-D143 IonicContact CG-OD2 2.72Å; H117-D143 IonicContact ND1-OD1 2.75Å; H117-D143 IonicContact ND1-OD2 3.58Å; H117-D143 PolarHBondContact ND1-OD2 2.98Å; T118-D143 PolarHBondContact N-OD1 2.9Å; T118-D143 PolarHBondContact O-N 3.34Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.46Å
144	G	97.6	Very high	98.2	Very high	60 Å²	60	53.8 Å²	53.8	62%	0.619	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	8.7	177.8	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 2.96Å
145	K	98.6	Very high	98.2	Very high	159 Å²	159	55.7 Å²	55.7	69%	0.691	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.8	176.7	-62.6	179.1	-178	176.6	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.33Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.25Å; Y142-K145 PolarHBondContact N-O 2.8Å; Y142-K145 PolarHBondContact O-N 2.84Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.46Å; K145-Y147 PolarHBondContact O-N 3.18Å
146	D	98.7	Very high	98.3	Very high	130 Å²	130	53.1 Å²	53.1	70%	0.695	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.9	135.1	173.9	-66.5	-33.2	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.46Å; D146-A160 WeakPolarHBondContact O-CB 3.22Å
147	Y	98.8	Very high	98.3	Very high	9 Å²	9	53.7 Å²	53.7	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-61.3	-179.6	179.2	-107.1	0	0	0	110.5	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.31Å; L105-Y147 HydrophobicContact CD2-CD2 3.99Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.36Å; L105-Y147 HydrophobicContact CD2-CG 4.42Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.35Å; Y109-Y147 HydrophobicContact CE2-CE2 4.05Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.36Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.5Å; S140-Y147 WeakPolarHBondContact O-CB 3.13Å; S140-Y147 PolarHBondContact O-N 3.01Å; K145-Y147 PolarHBondContact O-N 3.18Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 3.06Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 3.39Å; Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.14Å; Y147-T167 HydrophobicContact CE1-CG2 4.16Å; Y147-T167 WeakPolarHBondContact OH-CB 3.3Å; Y147-T167 PolarHBondContact OH-OG1 3.03Å
148	I	98.8	Very high	98.4	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.051	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	140.9	-179.7	-161.1	169.2	0	0	0	110.8	Q139 S140 W157 T158 T167 Q168 L171	Q139-I148 WeakPolarHBondContact CA-O 3.31Å; S140-I148 PolarHBondContact N-O 3.09Å; S140-I148 PolarHBondContact O-N 3.19Å; I148-W157 HydrophobicContact CD1-CB 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CG1-CB 4.47Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; I148-T158 WeakPolarHBondContact CA-O 3.03Å; I148-T167 HydrophobicContact CD1-CG2 3.93Å; I148-Q168 HydrophobicContact CD1-CB 4.02Å; I148-L171 HydrophobicContact CD1-CD1 3.73Å
149	A	98.8	Very high	98.4	Very high	29 Å²	29	56.5 Å²	56.5	24%	0.24	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.4	178.2	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.85Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.41Å; A149-T158 PolarHBondContact N-O 3.46Å; A149-T158 PolarHBondContact O-N 2.83Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	55.8 Å²	55.8	7%	0.073	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.3	167	-176	68.5	0	0	0	108.5	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 3.98Å; D138-L150 HydrophobicContact CB-CD2 4.2Å; D138-L150 WeakPolarHBondContact O-CB 3.24Å; D138-L150 PolarHBondContact O-N 3.04Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; L150-W157 HydrophobicContact CB-CE3 4.13Å; L150-W157 HydrophobicContact CB-CH2 4.31Å; L150-W157 HydrophobicContact CB-CZ3 3.87Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.19Å; L150-W157 HydrophobicContact CD1-CZ2 4.01Å; L150-W157 HydrophobicContact CD1-CZ3 4.36Å; L150-A177 HydrophobicContact CD1-CB 4Å; L150-L180 HydrophobicContact CD2-CB 4.26Å; L150-L184 HydrophobicContact CD2-CD1 3.9Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	57.2 Å²	57.2	24%	0.235	32%	0.318	C	S	.	.			trans	-72.8	163	-179.8	-67.4	-27.3	0	0	0	111.3	D153 L154 S156 W157 T158	N151-D153 PolarHBondContact O-N 2.93Å; N151-L154 WeakPolarHBondContact O-CA 3.49Å; N151-L154 PolarHBondContact O-N 3.38Å; N151-S156 WeakPolarHBondContact CB-O 3.34Å; N151-S156 WeakPolarHBondContact CB-OG 3.33Å; N151-S156 PolarHBondContact N-O 2.82Å; N151-S156 PolarHBondContact ND2-OG 3.49Å; N151-W157 PolarHBondContact ND2-N 2.59Å; N151-T158 WeakPolarHBondContact OD1-CB 3.36Å; N151-T158 PolarHBondContact OD1-N 3.31Å; N151-T158 PolarHBondContact OD1-OG1 3.3Å
152	E	97.4	Very high	98.3	Very high	134 Å²	134	61.8 Å²	61.8	63%	0.626	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.1	-179.5	-66.8	178.2	-164.1	0	0	113.6	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.09Å; R135-E152 VanDerWaalsContact NH1-CD 3.28Å; R135-E152 IonicContact NH1-OE1 2.63Å; R135-E152 PolarHBondContact NH1-OE1 2.85Å; R135-E152 IonicContact NH1-OE2 3.79Å; R135-E152 VanDerWaalsContact NH2-CG 3.34Å; R135-E152 IonicContact NH2-OE1 3.24Å; R135-E152 PolarHBondContact NH2-OE1 3.39Å; E152-L154 PolarHBondContact O-N 3.33Å
153	D	97.5	Very high	98.3	Very high	79 Å²	79	61.5 Å²	61.5	42%	0.422	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-7.8	174.2	70.6	4.7	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.93Å; D153-R155 VanDerWaalsContact O-CG 3.32Å; D153-R155 WeakPolarHBondContact O-CG 3.35Å; D153-R155 PolarHBondContact O-N 3.2Å; D153-R155 PolarHBondContact OD1-N 2.94Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.89Å; D153-S156 PolarHBondContact OD1-OG 2.82Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.49Å; D153-S156 PolarHBondContact OD2-OG 2.86Å
154	L	97.9	Very high	98.3	Very high	9 Å²	9	58.6 Å²	58.6	5%	0.047	33%	0.328	C	S	.	.	S	Bend	trans	53.5	28.5	-175.6	-53.6	-178.8	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.12Å; L150-L154 HydrophobicContact CD2-CD2 3.78Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; N151-L154 WeakPolarHBondContact O-CA 3.49Å; N151-L154 PolarHBondContact O-N 3.38Å; E152-L154 PolarHBondContact O-N 3.33Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.14Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L154-E185 HydrophobicContact CD1-CG 4.21Å
155	R	97.6	Very high	98.4	Very high	163 Å²	163	59.3 Å²	59.3	62%	0.615	32%	0.315	S	S	*	.	S	Bend	trans	-135.8	-33.6	-173.7	-70.8	170.2	-176.4	-91.4	16.5	112.8	D153 A177	D153-R155 VanDerWaalsContact O-CG 3.32Å; D153-R155 WeakPolarHBondContact O-CG 3.35Å; D153-R155 PolarHBondContact O-N 3.2Å; D153-R155 PolarHBondContact OD1-N 2.94Å; R155-A177 WeakPolarHBondContact O-CB 3.26Å
156	S	98	Very high	98.4	Very high	40 Å²	40	54.6 Å²	54.6	28%	0.28	30%	0.297	S	S	.	.			trans	-114	165.1	-177.2	64.3	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.34Å; N151-S156 WeakPolarHBondContact CB-OG 3.33Å; N151-S156 PolarHBondContact N-O 2.82Å; N151-S156 PolarHBondContact ND2-OG 3.49Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.89Å; D153-S156 PolarHBondContact OD1-OG 2.82Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.49Å; D153-S156 PolarHBondContact OD2-OG 2.86Å
157	W	98.7	Very high	98.3	Very high	16 Å²	16	49.8 Å²	49.8	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.2	-176.1	-60.4	90.1	0	0	0	110.6	I148 A149 L150 N151 Q168 L171 A176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.18Å; I148-W157 HydrophobicContact CG1-CB 4.47Å; I148-W157 HydrophobicContact CG1-CE3 4.02Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.41Å; L150-W157 HydrophobicContact CB-CE3 4.13Å; L150-W157 HydrophobicContact CB-CH2 4.31Å; L150-W157 HydrophobicContact CB-CZ3 3.87Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.38Å; L150-W157 HydrophobicContact CD1-CH2 4.19Å; L150-W157 HydrophobicContact CD1-CZ2 4.01Å; L150-W157 HydrophobicContact CD1-CZ3 4.36Å; N151-W157 PolarHBondContact ND2-N 2.59Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 3.15Å; W157-L171 HydrophobicContact CD2-CD1 3.99Å; W157-L171 HydrophobicContact CE3-CD1 4.01Å; W157-L171 HydrophobicContact CH2-CD1 3.78Å; W157-L171 HydrophobicContact CZ2-CB 4.17Å; W157-L171 HydrophobicContact CZ2-CD1 3.78Å; W157-L171 HydrophobicContact CZ2-CG 4.41Å; W157-L171 HydrophobicContact CZ3-CD1 3.91Å; W157-A176 HydrophobicContact CZ2-CB 4.29Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.83Å; W157-L180 HydrophobicContact CZ3-CD1 4.48Å
158	T	98.7	Very high	98.3	Very high	80 Å²	80	51.4 Å²	51.4	49%	0.491	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.8	165.4	-66.5	0	0	0	0	108.8	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.03Å; A149-T158 PolarHBondContact N-O 3.46Å; A149-T158 PolarHBondContact O-N 2.83Å; N151-T158 WeakPolarHBondContact OD1-CB 3.36Å; N151-T158 PolarHBondContact OD1-N 3.31Å; N151-T158 PolarHBondContact OD1-OG1 3.3Å
159	A	98.7	Very high	98.3	Very high	24 Å²	24	57.9 Å²	57.9	20%	0.198	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.5	175.5	0	0	0	0	0	110.1	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 4.04Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.5	Very high	98.3	Very high	62 Å²	62	62 Å²	62	51%	0.512	32%	0.317	S	S	.	.	S	Bend	trans	-74.4	-31.3	-175.9	0	0	0	0	0	113.5	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.46Å; D146-A160 WeakPolarHBondContact O-CB 3.22Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 3.06Å
161	D	98.4	Very high	98.3	Very high	53 Å²	53	63.3 Å²	63.3	28%	0.283	32%	0.324	S	S	.	.	S	Bend	trans	-151	-174.7	-178.3	67.9	28.3	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.39Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.23Å; Y109-D161 PolarHBondContact OH-OD1 2.94Å; Y109-D161 PolarHBondContact OH-OD2 3.2Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.24Å; D161-A163 PolarHBondContact OD1-N 3.35Å; D161-A164 PolarHBondContact O-N 3.28Å; D161-A164 PolarHBondContact OD1-N 2.84Å; D161-Q165 WeakPolarHBondContact O-CG 3.14Å; D161-Q165 PolarHBondContact O-N 2.77Å
162	T	98.2	Very high	98.2	Very high	110 Å²	110	65.8 Å²	65.8	68%	0.675	33%	0.334	S	S	*	.	H	α-helix	trans	-65.4	-29	-179.1	51.1	0	0	0	0	114
163	A	98.1	Very high	98.3	Very high	5 Å²	5	63.5 Å²	63.5	4%	0.041	34%	0.338	C	S	.	.	H	α-helix	trans	-72.8	-43.3	175.3	0	0	0	0	0	109.9	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 3.39Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.24Å; D161-A163 PolarHBondContact OD1-N 3.35Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.13Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.38Å; A163-I166 PolarHBondContact O-N 2.79Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	63 Å²	63	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-34.7	173.9	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.85Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.29Å; Y147-A164 WeakPolarHBondContact O-CB 3.14Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 3.28Å; D161-A164 PolarHBondContact OD1-N 2.84Å; A164-I166 PolarHBondContact O-N 2.9Å; A164-T167 WeakPolarHBondContact O-CB 3.33Å; A164-T167 PolarHBondContact O-N 3.01Å; A164-Q168 PolarHBondContact O-N 2.85Å
165	Q	98.7	Very high	98.3	Very high	75 Å²	75	70.3 Å²	70.3	35%	0.35	37%	0.372	S	S	.	.	H	α-helix	trans	-60	-28.4	173.5	-72.5	174.1	10.7	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.04Å; D161-Q165 WeakPolarHBondContact O-CG 3.14Å; D161-Q165 PolarHBondContact O-N 2.77Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.13Å; Q165-R169 WeakPolarHBondContact O-CG 3.34Å; Q165-R169 PolarHBondContact O-N 3.18Å; Q165-R169 VanDerWaalsContact O-N 3.13Å
166	I	98.4	Very high	98.3	Very high	60 Å²	60	63.3 Å²	63.3	31%	0.308	35%	0.348	S	S	.	.	H	α-helix	trans	-66.8	-44.8	174.2	-56.8	171.4	0	0	0	109.6	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.12Å; Y108-I166 HydrophobicContact CE1-CD1 4.42Å; Y108-I166 HydrophobicContact CE1-CG2 4.05Å; Y108-I166 HydrophobicContact CE2-CB 4.27Å; Y108-I166 HydrophobicContact CE2-CG2 4.15Å; Y108-I166 HydrophobicContact CG-CD1 4.19Å; A163-I166 VanDerWaalsContact O-CB 3.26Å; A163-I166 WeakPolarHBondContact O-CB 3.38Å; A163-I166 PolarHBondContact O-N 2.79Å; A164-I166 PolarHBondContact O-N 2.9Å; I166-K170 WeakPolarHBondContact O-CG 3.42Å; I166-K170 PolarHBondContact O-N 3.12Å
167	T	98.3	Very high	98.3	Very high	30 Å²	30	61.8 Å²	61.8	18%	0.184	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-44.9	174.9	-68.9	0	0	0	0	111.2	Y147 I148 A164 R169 K170 L171	Y147-T167 HydrophobicContact CE1-CG2 4.16Å; Y147-T167 WeakPolarHBondContact OH-CB 3.3Å; Y147-T167 PolarHBondContact OH-OG1 3.03Å; I148-T167 HydrophobicContact CD1-CG2 3.93Å; A164-T167 WeakPolarHBondContact O-CB 3.33Å; A164-T167 PolarHBondContact O-N 3.01Å; T167-R169 PolarHBondContact O-N 2.83Å; T167-K170 WeakPolarHBondContact O-CB 3.42Å; T167-K170 PolarHBondContact O-N 2.75Å; T167-L171 HydrophobicContact CG2-CD1 3.79Å; T167-L171 HydrophobicContact CG2-CG 4.06Å; T167-L171 WeakPolarHBondContact O-CG 3.3Å; T167-L171 PolarHBondContact O-N 2.69Å
168	Q	98.6	Very high	98.2	Very high	42 Å²	42	66.6 Å²	66.6	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-51.5	-52.3	177.2	175.9	175.7	11.6	0	0	111.7	I148 W157 A159 A164 K170 L171 E172	I148-Q168 HydrophobicContact CD1-CB 4.02Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 3.15Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 2.85Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 2.75Å; Q168-L171 PolarHBondContact O-N 3.36Å; Q168-L171 VanDerWaalsContact O-N 3.11Å; Q168-E172 HydrophobicContact CG-CG 4.36Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.44Å; Q168-E172 PolarHBondContact NE2-OE1 3.07Å; Q168-E172 WeakPolarHBondContact O-CG 3.41Å; Q168-E172 PolarHBondContact O-N 3.05Å
169	R	98.6	Very high	98.1	Very high	147 Å²	147	69.9 Å²	69.9	56%	0.555	37%	0.372	S	S	*	.	H	α-helix	trans	-58.9	-37	178.9	-68.7	171.9	-166	135.1	7.9	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.34Å; Q165-R169 PolarHBondContact O-N 3.18Å; Q165-R169 VanDerWaalsContact O-N 3.13Å; T167-R169 PolarHBondContact O-N 2.83Å; R169-A173 VanDerWaalsContact O-CB 3.26Å; R169-A173 WeakPolarHBondContact O-CB 3.48Å; R169-A173 PolarHBondContact O-N 2.9Å
170	K	98	Very high	98	Very high	116 Å²	116	70.3 Å²	70.3	50%	0.504	37%	0.37	S	S	.	.	H	α-helix	trans	-67.5	-43.2	176.4	-71.1	178	175.5	-174.3	0	111.6	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.89Å; I166-K170 WeakPolarHBondContact O-CG 3.42Å; I166-K170 PolarHBondContact O-N 3.12Å; T167-K170 WeakPolarHBondContact O-CB 3.42Å; T167-K170 PolarHBondContact O-N 2.75Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 2.75Å; K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 3.35Å
171	L	98.1	Very high	98	Very high	41 Å²	41	70.6 Å²	70.6	22%	0.215	36%	0.358	C	S	.	.	H	α-helix	trans	-66.2	-41.6	178.4	-67.2	174.7	0	0	0	111.7	I148 W157 T167 Q168 A174 R175 A176	I148-L171 HydrophobicContact CD1-CD1 3.73Å; W157-L171 HydrophobicContact CD2-CD1 3.99Å; W157-L171 HydrophobicContact CE3-CD1 4.01Å; W157-L171 HydrophobicContact CH2-CD1 3.78Å; W157-L171 HydrophobicContact CZ2-CB 4.17Å; W157-L171 HydrophobicContact CZ2-CD1 3.78Å; W157-L171 HydrophobicContact CZ2-CG 4.41Å; W157-L171 HydrophobicContact CZ3-CD1 3.91Å; T167-L171 HydrophobicContact CG2-CD1 3.79Å; T167-L171 HydrophobicContact CG2-CG 4.06Å; T167-L171 WeakPolarHBondContact O-CG 3.3Å; T167-L171 PolarHBondContact O-N 2.69Å; Q168-L171 PolarHBondContact O-N 3.36Å; Q168-L171 VanDerWaalsContact O-N 3.11Å; L171-A174 CarbonylContact O-C 3.59Å; L171-A174 PolarHBondContact O-N 3.01Å; L171-R175 PolarHBondContact O-N 2.74Å; L171-A176 HydrophobicContact CB-CB 4.06Å; L171-A176 HydrophobicContact CD2-CB 3.64Å; L171-A176 HydrophobicContact CG-CB 4.44Å; L171-A176 PolarHBondContact O-N 3.25Å
172	E	98.4	Very high	98	Very high	95 Å²	95	71.1 Å²	71.1	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-64	-47.1	175.5	-72.1	170.1	175.7	0	0	111.4	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.36Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.44Å; Q168-E172 PolarHBondContact NE2-OE1 3.07Å; Q168-E172 WeakPolarHBondContact O-CG 3.41Å; Q168-E172 PolarHBondContact O-N 3.05Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.88Å; E172-R175 PolarHBondContact O-N 2.8Å
173	A	98.3	Very high	97.9	Very high	87 Å²	87	69 Å²	69	72%	0.719	35%	0.35	S	S	*	.	H	α-helix	trans	-60.9	-35.4	176.3	0	0	0	0	0	112.5	R169 R175	R169-A173 VanDerWaalsContact O-CB 3.26Å; R169-A173 WeakPolarHBondContact O-CB 3.48Å; R169-A173 PolarHBondContact O-N 2.9Å; A173-R175 VanDerWaalsContact C-N 3.32Å
174	A	97.6	Very high	97.9	Very high	68 Å²	68	68.9 Å²	68.9	56%	0.562	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.9	176.5	0	0	0	0	0	114	K170 L171 E172 A176	K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 3.35Å; L171-A174 CarbonylContact O-C 3.59Å; L171-A174 PolarHBondContact O-N 3.01Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.88Å; A174-A176 PolarHBondContact O-N 3.04Å
175	R	97.5	Very high	97.9	Very high	163 Å²	163	73 Å²	73	62%	0.615	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	37	-172.9	-56.3	-175.3	177.8	-164.8	1.4	113.5	L171 E172 A173 A177 E178	L171-R175 PolarHBondContact O-N 2.74Å; E172-R175 PolarHBondContact O-N 2.8Å; A173-R175 VanDerWaalsContact C-N 3.32Å; R175-A177 PolarHBondContact O-N 2.83Å; R175-A177 VanDerWaalsContact O-N 3.15Å; R175-E178 HydrophobicContact CB-CG 4.3Å; R175-E178 IonicContact NH1-OE1 2.82Å; R175-E178 WeakPolarHBondContact O-CB 3.4Å; R175-E178 PolarHBondContact O-N 3.34Å
176	A	97.4	Very high	97.8	Very high	15 Å²	15	70.5 Å²	70.5	12%	0.124	36%	0.362	C	S	.	.	H	α-helix	trans	-58.8	-31.8	-174.6	0	0	0	0	0	113.1	W157 L171 A174 E178 Q179 L180	W157-A176 HydrophobicContact CZ2-CB 4.29Å; L171-A176 HydrophobicContact CB-CB 4.06Å; L171-A176 HydrophobicContact CD2-CB 3.64Å; L171-A176 HydrophobicContact CG-CB 4.44Å; L171-A176 PolarHBondContact O-N 3.25Å; A174-A176 PolarHBondContact O-N 3.04Å; A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 PolarHBondContact O-N 3.11Å; A176-Q179 PolarHBondContact O-N 2.92Å; A176-L180 PolarHBondContact O-N 2.9Å; A176-L180 VanDerWaalsContact O-N 3.08Å
177	A	97.9	Very high	97.8	Very high	9 Å²	9	70 Å²	70	7%	0.074	36%	0.362	C	S	.	.	H	α-helix	trans	-60.3	-34.4	177.1	0	0	0	0	0	112.7	L150 R155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4Å; R155-A177 WeakPolarHBondContact O-CB 3.26Å; W157-A177 HydrophobicContact CZ2-CB 4.33Å; R175-A177 PolarHBondContact O-N 2.83Å; R175-A177 VanDerWaalsContact O-N 3.15Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 2.81Å; A177-L180 PolarHBondContact O-N 3.13Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 3.35Å
178	E	97.6	Very high	97.8	Very high	117 Å²	117	68.6 Å²	68.6	55%	0.547	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-40.7	178.3	-64.3	178.4	-177.2	0	0	111.5	R175 A176 A182	R175-E178 HydrophobicContact CB-CG 4.3Å; R175-E178 IonicContact NH1-OE1 2.82Å; R175-E178 WeakPolarHBondContact O-CB 3.4Å; R175-E178 PolarHBondContact O-N 3.34Å; A176-E178 VanDerWaalsContact C-N 3.27Å; A176-E178 PolarHBondContact O-N 3.11Å; E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 2.85Å
179	Q	96	Very high	97.8	Very high	149 Å²	149	67 Å²	67	70%	0.696	35%	0.347	S	S	*	.	H	α-helix	trans	-69.8	-44.1	178.1	-65	-178.8	-8.2	0	0	111.8	A176 A177 A182 Y183	A176-Q179 PolarHBondContact O-N 2.92Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 2.81Å; Q179-A182 PolarHBondContact O-N 2.76Å; Q179-Y183 PolarHBondContact O-N 2.98Å
180	L	97.2	Very high	97.7	Very high	33 Å²	33	66 Å²	66	17%	0.173	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-43.6	177.1	-72.7	170.6	0	0	0	111.2	D138 L150 W157 A176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.22Å; D138-L180 WeakPolarHBondContact OD1-CD2 3.3Å; L150-L180 HydrophobicContact CD2-CB 4.26Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.83Å; W157-L180 HydrophobicContact CZ3-CD1 4.48Å; A176-L180 PolarHBondContact O-N 2.9Å; A176-L180 VanDerWaalsContact O-N 3.08Å; A177-L180 PolarHBondContact O-N 3.13Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.23Å; L180-Y183 WeakPolarHBondContact O-CB 3.42Å; L180-Y183 PolarHBondContact O-N 2.72Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 VanDerWaalsContact O-CG 3.23Å; L180-L184 WeakPolarHBondContact O-CG 3.16Å; L180-L184 PolarHBondContact O-N 3.29Å
181	R	98	Very high	97.7	Very high	67 Å²	67	62.5 Å²	62.5	25%	0.253	33%	0.332	S	S	.	.	H	α-helix	trans	-58.8	-45.5	175.2	-175.4	174.2	179.4	-140.4	-10.4	112	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.14Å; A177-R181 WeakPolarHBondContact O-CB 3.49Å; A177-R181 PolarHBondContact O-N 3.35Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.05Å; R181-L184 PolarHBondContact O-N 3.04Å; R181-E185 HydrophobicContact CG-CG 4.1Å; R181-E185 IonicContact CZ-OE1 3.05Å; R181-E185 VanDerWaalsContact CZ-OE1 3.23Å; R181-E185 IonicContact CZ-OE2 2.71Å; R181-E185 VanDerWaalsContact NE-CD 3.28Å; R181-E185 IonicContact NE-OE1 3.09Å; R181-E185 PolarHBondContact NE-OE1 2.85Å; R181-E185 IonicContact NE-OE2 3.8Å; R181-E185 PolarHBondContact NE-OE2 2.84Å; R181-E185 IonicContact NH2-OE1 3.62Å; R181-E185 PolarHBondContact NH2-OE1 2.84Å; R181-E185 IonicContact NH2-OE2 3.41Å; R181-E185 PolarHBondContact NH2-OE2 2.62Å; R181-E185 WeakPolarHBondContact O-CB 3.38Å; R181-E185 PolarHBondContact O-N 2.8Å
182	A	98	Very high	97.7	Very high	65 Å²	65	60.5 Å²	60.5	54%	0.537	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-38.8	176.7	0	0	0	0	0	112.5	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.49Å; E178-A182 PolarHBondContact O-N 2.85Å; Q179-A182 PolarHBondContact O-N 2.76Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 3.23Å; A182-G186 PolarHBondContact O-N 3Å; A182-G186 VanDerWaalsContact O-N 3.12Å
183	Y	97.3	Very high	97.7	Very high	65 Å²	65	61.7 Å²	61.7	26%	0.255	32%	0.322	S	S	.	.	I	π-helix	trans	-65.9	-47.7	173.3	167.5	-100	0	0	0	112.1	Q179 L180 R181 T187 C188	Q179-Y183 PolarHBondContact O-N 2.98Å; L180-Y183 WeakPolarHBondContact O-CB 3.42Å; L180-Y183 PolarHBondContact O-N 2.72Å; R181-Y183 VanDerWaalsContact C-N 3.3Å; R181-Y183 PolarHBondContact O-N 3.05Å; Y183-T187 HydrophobicContact CD2-CG2 3.92Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 3.31Å; Y183-T187 VanDerWaalsContact O-N 3.07Å; Y183-C188 HydrophobicContact CE1-CB 4.1Å; Y183-C188 WeakPolarHBondContact O-CB 3.48Å; Y183-C188 PolarHBondContact O-N 2.83Å
184	L	98.3	Very high	97.6	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	31%	0.309	C	S	.	.	I	π-helix	trans	-69.2	-41.1	-175.1	-69.6	171.4	0	0	0	112.5	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.36Å; L150-L184 HydrophobicContact CD2-CD1 3.9Å; L154-L184 HydrophobicContact CD2-CD1 3.95Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 VanDerWaalsContact O-CG 3.23Å; L180-L184 WeakPolarHBondContact O-CG 3.16Å; L180-L184 PolarHBondContact O-N 3.29Å; R181-L184 PolarHBondContact O-N 3.04Å; L184-V189 WeakPolarHBondContact O-CG2 3.44Å
185	E	97.7	Very high	97.6	Very high	87 Å²	87	60 Å²	60	41%	0.407	28%	0.282	S	S	.	.	I	π-helix	trans	-78.4	-24.7	177.9	-69.7	-179.1	164.5	0	0	113.3	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; L154-E185 HydrophobicContact CD1-CG 4.21Å; R181-E185 HydrophobicContact CG-CG 4.1Å; R181-E185 IonicContact CZ-OE1 3.05Å; R181-E185 VanDerWaalsContact CZ-OE1 3.23Å; R181-E185 IonicContact CZ-OE2 2.71Å; R181-E185 VanDerWaalsContact NE-CD 3.28Å; R181-E185 IonicContact NE-OE1 3.09Å; R181-E185 PolarHBondContact NE-OE1 2.85Å; R181-E185 IonicContact NE-OE2 3.8Å; R181-E185 PolarHBondContact NE-OE2 2.84Å; R181-E185 IonicContact NH2-OE1 3.62Å; R181-E185 PolarHBondContact NH2-OE1 2.84Å; R181-E185 IonicContact NH2-OE2 3.41Å; R181-E185 PolarHBondContact NH2-OE2 2.62Å; R181-E185 WeakPolarHBondContact O-CB 3.38Å; R181-E185 PolarHBondContact O-N 2.8Å
186	G	97.6	Very high	97.6	Very high	22 Å²	22	53 Å²	53	23%	0.227	26%	0.257	C	S	.	.	I	π-helix	trans	-109	-88.4	-177.6	0	0	0	0	0	112.4	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 3Å; A182-G186 VanDerWaalsContact O-N 3.12Å; G186-C188 VanDerWaalsContact C-N 3.34Å; G186-C188 PolarHBondContact O-N 2.88Å; G186-V189 PolarHBondContact O-N 3.47Å; G186-V189 VanDerWaalsContact O-N 3.16Å; G186-E190 WeakPolarHBondContact O-CG 3.32Å; G186-E190 PolarHBondContact O-N 3.33Å
187	T	97.4	Very high	97.5	Very high	51 Å²	51	58.2 Å²	58.2	31%	0.313	28%	0.279	S	S	.	.	I	π-helix	trans	-54.2	-45.3	-171.2	-56.5	0	0	0	0	113	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.92Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 3.31Å; Y183-T187 VanDerWaalsContact O-N 3.07Å; T187-V189 PolarHBondContact O-N 3.06Å; T187-E190 PolarHBondContact O-N 3.26Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 WeakPolarHBondContact O-CB 3.21Å; T187-W191 PolarHBondContact O-N 2.93Å
188	C	98.2	Very high	97.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.289	C	S	.	.	I	π-helix	trans	-60.4	-48.3	-179.5	-171.2	0	0	0	0	111.5	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.41Å; M29-C188 WeakPolarHBondContact CE-SG 3.24Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.4Å; C125-C188 PolarHBondContact N-SG 2.89Å; C125-C188 VanDerWaalsContact N-SG 3.35Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.46Å; Y183-C188 HydrophobicContact CE1-CB 4.1Å; Y183-C188 WeakPolarHBondContact O-CB 3.48Å; Y183-C188 PolarHBondContact O-N 2.83Å; G186-C188 VanDerWaalsContact C-N 3.34Å; G186-C188 PolarHBondContact O-N 2.88Å; C188-E190 PolarHBondContact O-N 2.98Å; C188-W191 PolarHBondContact O-N 3.13Å; C188-L192 WeakPolarHBondContact O-CB 3.3Å; C188-L192 PolarHBondContact O-N 3.15Å
189	V	98.2	Very high	97.4	Very high	8 Å²	8	55 Å²	55	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-45.4	178	174.7	0	0	0	0	111.2	L127 L133 L184 G186 T187 R193	L127-V189 HydrophobicContact CD1-CG1 4.44Å; L127-V189 HydrophobicContact CD2-CB 4.13Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.77Å; L133-V189 HydrophobicContact CB-CG2 3.99Å; L133-V189 HydrophobicContact CD1-CG2 4.02Å; L184-V189 WeakPolarHBondContact O-CG2 3.44Å; G186-V189 PolarHBondContact O-N 3.47Å; G186-V189 VanDerWaalsContact O-N 3.16Å; T187-V189 PolarHBondContact O-N 3.06Å; V189-R193 WeakPolarHBondContact O-CG 3.48Å; V189-R193 PolarHBondContact O-N 3.3Å
190	E	98	Very high	97.3	Very high	125 Å²	125	53 Å²	53	58%	0.584	25%	0.254	S	S	*	.	H	α-helix	trans	-61.7	-45.8	179.4	-72.7	174.8	175.6	0	0	112.3	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.32Å; G186-E190 PolarHBondContact O-N 3.33Å; T187-E190 PolarHBondContact O-N 3.26Å; C188-E190 PolarHBondContact O-N 2.98Å; E190-R194 PolarHBondContact O-N 3.5Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	98	Very high	97	Very high	43 Å²	43	60 Å²	60	16%	0.163	29%	0.285	C	S	.	.	H	α-helix	trans	-69	-42.1	179.5	-82.7	98.8	0	0	0	112.2	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.42Å; Y83-W191 AromaticContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CH2 3.5Å; Y83-W191 VanDerWaalsContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CZ2 4.24Å; Y83-W191 AromaticContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CD2-CZ3 3.69Å; Y83-W191 HydrophobicContact CE2-CE3 4.16Å; Y83-W191 AromaticContact CE2-CH2 3.88Å; Y83-W191 HydrophobicContact CE2-CH2 3.88Å; Y83-W191 AromaticContact CE2-CZ3 3.65Å; Y83-W191 HydrophobicContact CE2-CZ3 3.65Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 WeakPolarHBondContact O-CB 3.21Å; T187-W191 PolarHBondContact O-N 2.93Å; C188-W191 PolarHBondContact O-N 3.13Å; W191-R193 PolarHBondContact O-N 3.2Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 2.83Å; W191-R194 VanDerWaalsContact O-N 3.16Å; W191-Y195 HydrophobicContact CB-CE2 4.05Å; W191-Y195 HydrophobicContact CE3-CD1 4.43Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.36Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.21Å
192	L	98.2	Very high	96.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-44.6	176.3	174.7	50.6	0	0	0	111.3	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.03Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.92Å; M29-L192 HydrophobicContact CB-CG 4.21Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.37Å; V52-L192 HydrophobicContact CB-CD1 4.49Å; V52-L192 HydrophobicContact CG1-CD1 3.55Å; V52-L192 HydrophobicContact CG2-CD1 4.21Å; L127-L192 HydrophobicContact CB-CD2 4.5Å; L127-L192 HydrophobicContact CD1-CB 4.21Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.75Å; L127-L192 HydrophobicContact CG-CD2 3.59Å; L127-L192 HydrophobicContact CG-CG 4.25Å; C188-L192 WeakPolarHBondContact O-CB 3.3Å; C188-L192 PolarHBondContact O-N 3.15Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.82Å; L192-Y195 PolarHBondContact O-N 3.37Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.32Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.37Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 2.63Å
193	R	97.1	Very high	96.4	Very high	119 Å²	119	55.9 Å²	55.9	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-59.1	-43	174.1	-72.1	175.8	-174.5	161.4	-0.4	112.4	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.93Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.65Å; G131-R193 PolarHBondContact O-NH2 3.11Å; V189-R193 WeakPolarHBondContact O-CG 3.48Å; V189-R193 PolarHBondContact O-N 3.3Å; W191-R193 PolarHBondContact O-N 3.2Å; R193-L196 PolarHBondContact O-N 3.23Å; R193-E197 PolarHBondContact O-N 3.33Å
194	R	97.3	Very high	96	Very high	120 Å²	120	57.1 Å²	57.1	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-61.2	-44.3	176.2	178.2	179.6	174.8	120.3	-4.2	111.4	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.34Å; E79-R194 IonicContact OE1-CZ 3.28Å; E79-R194 IonicContact OE1-NE 3.69Å; E79-R194 PolarHBondContact OE1-NE 3.39Å; E79-R194 IonicContact OE1-NH2 2.84Å; E79-R194 PolarHBondContact OE1-NH2 3.12Å; E79-R194 IonicContact OE2-CZ 3.23Å; E79-R194 IonicContact OE2-NE 2.75Å; E79-R194 IonicContact OE2-NH2 2.77Å; E79-R194 PolarHBondContact OE2-NH2 3.15Å; E190-R194 PolarHBondContact O-N 3.5Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 2.83Å; W191-R194 VanDerWaalsContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.82Å; R194-E197 PolarHBondContact O-N 2.84Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.4Å; R194-N198 PolarHBondContact O-N 3.39Å; R194-N198 PolarHBondContact O-OD1 2.82Å
195	Y	97.6	Very high	95.7	Very high	1 Å²	1	61.3 Å²	61.3	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-39.7	178.6	-62.2	-32.3	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 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; F57-Y195 HydrophobicContact CD2-CE2 4.43Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.59Å; F57-Y195 HydrophobicContact CE2-CE2 3.59Å; F57-Y195 AromaticContact CE2-CZ 3.77Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.73Å; F57-Y195 HydrophobicContact CZ-CE2 3.73Å; W75-Y195 HydrophobicContact CE3-CD1 4.21Å; W75-Y195 HydrophobicContact CE3-CG 4.45Å; W75-Y195 HydrophobicContact CH2-CG 4.11Å; W75-Y195 AromaticContact CZ3-CD1 3.55Å; W75-Y195 HydrophobicContact CZ3-CD1 3.55Å; W75-Y195 HydrophobicContact CZ3-CD2 4.28Å; W75-Y195 HydrophobicContact CZ3-CE1 4.28Å; W75-Y195 AromaticContact CZ3-CG 3.56Å; W75-Y195 HydrophobicContact CZ3-CG 3.56Å; V76-Y195 HydrophobicContact CG2-CE1 4.34Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.23Å; Y83-Y195 PolarHBondContact OH-OH 3.46Å; W191-Y195 HydrophobicContact CB-CE2 4.05Å; W191-Y195 HydrophobicContact CE3-CD1 4.43Å; W191-Y195 AromaticContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE1 3.54Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.39Å; W191-Y195 AromaticContact CZ3-CE1 3.91Å; W191-Y195 HydrophobicContact CZ3-CE1 3.91Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.36Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.21Å; L192-Y195 PolarHBondContact O-N 3.37Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.45Å; Y195-N198 PolarHBondContact O-N 3.17Å; Y195-G199 WeakPolarHBondContact O-CA 3.14Å; Y195-G199 PolarHBondContact O-N 3.04Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å
196	L	96.3	Very high	95.5	Very high	14 Å²	14	59.1 Å²	59.1	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-36.4	174.7	-71	169.9	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.38Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.08Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.32Å; L192-L196 HydrophobicContact CD1-CG 3.8Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.37Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.34Å; L192-L196 PolarHBondContact O-N 2.63Å; R193-L196 PolarHBondContact O-N 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.37Å; L196-K200 WeakPolarHBondContact O-CB 3.05Å; L196-K200 PolarHBondContact O-N 3.05Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 3.48Å
197	E	96	Very high	95.4	Very high	126 Å²	126	61 Å²	61	59%	0.589	28%	0.284	S	S	*	.	H	α-helix	trans	-71.5	-48.9	174.5	-171.8	60	-152	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.33Å; R194-E197 PolarHBondContact O-N 2.84Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.45Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.44Å; E197-K200 WeakPolarHBondContact O-CB 3.27Å; E197-K200 PolarHBondContact O-N 3.24Å
198	N	96.8	Very high	95.4	Very high	54 Å²	54	61.8 Å²	61.8	29%	0.289	29%	0.291	S	S	.	.	H	α-helix	trans	-60	-38.8	179.2	-78.3	-0.2	0	0	0	113	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.48Å; W75-N198 WeakPolarHBondContact CB-O 3.48Å; Q78-N198 PolarHBondContact NE2-ND2 3.06Å; E79-N198 PolarHBondContact OE1-ND2 3.22Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.4Å; R194-N198 PolarHBondContact O-N 3.39Å; R194-N198 PolarHBondContact O-OD1 2.82Å; Y195-N198 PolarHBondContact O-N 3.17Å
199	G	95.6	Very high	95.4	Very high	3 Å²	3	62.3 Å²	62.3	3%	0.031	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	20.1	-176	0	0	0	0	0	113.5	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.14Å; Y195-G199 PolarHBondContact O-N 3.04Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.44Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.07Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.23Å; G199-T202 PolarHBondContact O-N 3.35Å; G199-T202 PolarHBondContact O-OG1 2.85Å; G199-L203 WeakPolarHBondContact O-CB 3.47Å; G199-L203 PolarHBondContact O-N 2.82Å
200	K	93.8	Very high	95.3	Very high	109 Å²	109	69.4 Å²	69.4	47%	0.474	32%	0.324	S	S	.	.	H	α-helix	trans	-49.6	-44	-171.8	-177.3	172.5	-174.7	172.7	0	114.1	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.37Å; L196-K200 WeakPolarHBondContact O-CB 3.05Å; L196-K200 PolarHBondContact O-N 3.05Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.27Å; E197-K200 PolarHBondContact O-N 3.24Å; K200-T202 PolarHBondContact O-N 2.83Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 WeakPolarHBondContact O-CB 3.45Å; K200-Q204 PolarHBondContact O-N 3.08Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
201	E	91.2	Very high	95.3	Very high	179 Å²	179	65.4 Å²	65.4	84%	0.836	31%	0.308	S	S	*	.	H	α-helix	trans	-64.5	-23.6	179.6	-62.5	-175	166	0	0	113.6	G199 R205	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 3.07Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 WeakPolarHBondContact O-CD 3.21Å
202	T	90.9	Very high	95.2	Very high	41 Å²	41	67.4 Å²	67.4	25%	0.252	32%	0.319	S	S	.	.	H	α-helix	trans	-105.2	-38	-178.1	54.2	0	0	0	0	113.7	G199 K200 R205	G199-T202 CarbonylContact O-C 3.59Å; G199-T202 WeakPolarHBondContact O-CA 3.23Å; G199-T202 PolarHBondContact O-N 3.35Å; G199-T202 PolarHBondContact O-OG1 2.85Å; K200-T202 PolarHBondContact O-N 2.83Å; T202-R205 WeakPolarHBondContact O-CG 3.44Å
203	L	92.4	Very high	95.2	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-92.9	-29.3	-171	-63.2	172.5	0	0	0	112.5	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CG1-CG 4.47Å; T55-L203 HydrophobicContact CG2-CD2 4.07Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.35Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 WeakPolarHBondContact O-CB 3.47Å; G199-L203 PolarHBondContact O-N 2.82Å
204	Q	90.3	Very high	95.2	Very high	92 Å²	92	64.4 Å²	64.4	43%	0.43	31%	0.314	S	S	.	.	S	Bend	trans	-102.2	23.9	178.7	-58	179.5	35.9	0	0	111.7	L196 K200	L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 3.48Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 WeakPolarHBondContact O-CB 3.45Å; K200-Q204 PolarHBondContact O-N 3.08Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
205	R	91.1	Very high	95.1	Very high	89 Å²	89	61.3 Å²	61.3	34%	0.336	31%	0.305	S	S	.	.			trans	-100.4	145.8	172.9	82.8	-173.3	-173.8	-146.1	2.3	109.2	E201 T202 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.21Å; T202-R205 WeakPolarHBondContact O-CG 3.44Å; R205-E207 HydrophobicContact CG-CG 4.46Å; R205-E207 IonicContact CZ-OE1 3.4Å; R205-E207 IonicContact NE-OE1 3.17Å; R205-E207 PolarHBondContact NE-OE1 2.94Å; R205-E207 IonicContact NH2-OE1 3.49Å; R205-E207 PolarHBondContact NH2-OE1 2.04Å; R205-Y233 HydrophobicContact CG-CD1 4.27Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.47Å
206	A	93.6	Very high	95	Very high	41 Å²	41	65 Å²	65	34%	0.339	32%	0.322	S	S	.	.			trans	-118.2	120.9	165.3	0	0	0	0	0	108.4	Y233 E288	A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 WeakPolarHBondContact CA-O 3.26Å; A206-E288 HydrophobicContact CB-CB 4.06Å; A206-E288 HydrophobicContact CB-CG 4.01Å
207	E	95.4	Very high	94.8	Very high	61 Å²	61	69 Å²	69	29%	0.285	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-99.2	114.5	175.7	-68.3	-176	-116.5	0	0	108.6	R205 F232 Y233 H287	R205-E207 HydrophobicContact CG-CG 4.46Å; R205-E207 IonicContact CZ-OE1 3.4Å; R205-E207 IonicContact NE-OE1 3.17Å; R205-E207 PolarHBondContact NE-OE1 2.94Å; R205-E207 IonicContact NH2-OE1 3.49Å; R205-E207 PolarHBondContact NH2-OE1 2.04Å; E207-F232 WeakPolarHBondContact O-CA 3.36Å; E207-F232 WeakPolarHBondContact O-CB 3.14Å; E207-Y233 PolarHBondContact N-O 3.41Å; E207-Y233 PolarHBondContact O-N 2.81Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; E207-H287 PolarHBondContact O-CE1 3.18Å
208	P	96.9	Very high	94.6	Very high	69 Å²	69	68 Å²	68	45%	0.448	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-67.4	147.8	-179.8	24.8	-32.1	0	0	0	111.7	L290	P208-L290 HydrophobicContact CB-CD2 3.9Å
209	P	97.8	Very high	94.4	Very high	10 Å²	10	68 Å²	68	7%	0.065	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-65.8	137.7	178.1	26.5	-33.9	0	0	0	112.1	T211 A229 F232 I237 M285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.03Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.18Å; P209-I237 HydrophobicContact CB-CD1 4.18Å; P209-I237 HydrophobicContact CG-CD1 4.08Å; P209-M285 HydrophobicContact CB-SD 3.87Å; P209-M285 HydrophobicContact CG-CG 4.47Å; P209-M285 HydrophobicContact CG-SD 3.37Å; P209-M285 WeakPolarHBondContact CG-SD 3.37Å; P209-H287 HydrophobicContact CG-CB 4.27Å; P209-L290 HydrophobicContact CG-CD1 4.12Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.38Å
210	K	97.9	Very high	94.1	Very high	158 Å²	158	75 Å²	75	69%	0.687	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.6	162	-65.3	171.2	-173.5	164.2	0	108.1	L230	K210-L230 HydrophobicContact CB-CB 4.47Å; K210-L230 PolarHBondContact N-O 3.09Å; K210-L230 PolarHBondContact O-N 3.05Å
211	T	97.3	Very high	94.1	Very high	41 Å²	41	76.8 Å²	76.8	25%	0.252	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.3	-169.7	62.4	0	0	0	0	113.3	P209 W228 M285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.03Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; T211-W228 VanDerWaalsContact CA-O 3.24Å; T211-W228 WeakPolarHBondContact CA-O 3.46Å; T211-M285 HydrophobicContact CG2-CE 3.46Å; T211-M285 VanDerWaalsContact CG2-CE 3.46Å; T211-M285 HydrophobicContact CG2-SD 3.36Å; T211-M285 WeakPolarHBondContact CG2-SD 3.45Å; T211-L294 HydrophobicContact CG2-CD1 4.24Å; T211-L296 HydrophobicContact CG2-CD1 4.06Å
212	H	96.1	Very high	94.3	Very high	84 Å²	84	72.7 Å²	72.7	39%	0.389	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	157.7	168.3	61.8	-71.8	0	0	0	110.6	W228	H212-W228 AromaticContact CD2-CD1 3.95Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.83Å; H212-W228 AromaticContact CE1-CG 3.6Å; H212-W228 PolarHBondContact N-O 2.85Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.69Å; H212-W228 PolarHBondContact O-N 2.79Å
213	V	97.9	Very high	94.6	Very high	25 Å²	25	70.8 Å²	70.8	15%	0.152	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.3	174.5	-177.8	0	0	0	0	109	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.49Å; V213-R226 CarbonylContact C-O 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.49Å; V213-C227 HydrophobicContact CG2-CB 4.47Å; V213-W241 HydrophobicContact CG1-CH2 3.92Å; V213-W241 HydrophobicContact CG1-CZ2 4.37Å; V213-W241 HydrophobicContact CG2-CH2 4.44Å; V213-L296 HydrophobicContact CG2-CB 3.91Å; V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	96.6	Very high	94.8	Very high	32 Å²	32	71.4 Å²	71.4	20%	0.196	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	144	176.6	53.2	0	0	0	0	110.3	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.38Å; T214-H216 VanDerWaalsContact OG1-CE1 3.28Å; T214-L225 WeakPolarHBondContact O-CA 3.01Å; T214-R226 PolarHBondContact N-O 3.24Å; T214-R226 PolarHBondContact O-N 3.02Å; T214-R226 WeakPolarHBondContact OG1-CB 3.34Å; T214-R226 PolarHBondContact OG1-O 2.91Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; T214-W228 PolarHBondContact OG1-NE1 3.45Å
215	H	96.1	Very high	95.2	Very high	55 Å²	55	67 Å²	67	26%	0.255	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.6	-179.9	169.8	-90.8	0	0	0	109.7	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.29Å; H215-L225 HydrophobicContact CB-CD2 4.02Å; H215-E278 IonicContact NE2-OE1 3.53Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.79Å; H215-W298 AromaticContact CG-CZ2 3.81Å
216	H	94.4	Very high	95.5	Very high	79 Å²	79	65.2 Å²	65.2	37%	0.366	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	105.9	-179.3	-58.2	83.9	0	0	0	109.2	T214 L218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.38Å; T214-H216 VanDerWaalsContact OG1-CE1 3.28Å; H216-L218 PolarHBondContact O-N 2.87Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.4Å; H216-T224 PolarHBondContact N-O 2.99Å; H216-T224 PolarHBondContact O-N 3.36Å; H216-R226 PolarHBondContact CE1-NH1 2.98Å; H216-R226 VanDerWaalsContact CE1-NH1 3.34Å
217	P	93.8	Very high	95.7	Very high	98 Å²	98	63.3 Å²	63.3	64%	0.636	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	130	174	-19.7	30	0	0	0	110.8
218	L	91	Very high	95.9	Very high	103 Å²	103	62.7 Å²	62.7	54%	0.539	32%	0.323	S	S	.	.			trans	-99.6	-41.1	172.8	-66	178.1	0	0	0	110.9	H216 E222 T224 V272	H216-L218 PolarHBondContact O-N 2.87Å; L218-E222 PolarHBondContact N-O 3.32Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.45Å; L218-V272 HydrophobicContact CD1-CG1 4.18Å; L218-V272 HydrophobicContact CD1-CG2 4.2Å
219	S	92.4	Very high	95.9	Very high	56 Å²	56	59.4 Å²	59.4	39%	0.392	30%	0.301	S	S	.	.	S	Bend	trans	-151.2	-177.8	177	71.7	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 2.93Å; S219-H221 PolarHBondContact OG-N 3.16Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; S219-E222 PolarHBondContact N-O 3Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.11Å
220	D	89.4	Confident	96	Very high	148 Å²	148	61.5 Å²	61.5	79%	0.791	31%	0.312	S	S	*	.	S	Bend	trans	-63.2	-19.3	172.2	-66	-22.5	0	0	0	112.6	S275	D220-S275 WeakPolarHBondContact O-CB 3.2Å; D220-S275 PolarHBondContact O-OG 3.2Å
221	H	93.3	Very high	95.9	Very high	147 Å²	147	54.9 Å²	54.9	68%	0.681	29%	0.288	S	S	*	.	S	Bend	trans	-106.8	-16.8	-174.1	-57.1	-48.1	0	0	0	114.1	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.93Å; S219-H221 PolarHBondContact OG-N 3.16Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; H221-S275 PolarHBondContact O-N 3.45Å; H221-S275 PolarHBondContact O-OG 3.25Å
222	E	95.8	Very high	96	Very high	93 Å²	93	52.9 Å²	52.9	44%	0.435	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	147.2	-171.7	-66.4	-179.8	167.4	0	0	112.5	L218 S219 V272 V273 S275	L218-E222 PolarHBondContact N-O 3.32Å; S219-E222 PolarHBondContact N-O 3Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.11Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.36Å; E222-V273 WeakPolarHBondContact CA-O 3.27Å; E222-S275 PolarHBondContact N-OG 3.15Å
223	A	96.1	Very high	96	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.1	172.2	0	0	0	0	0	110.7	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.29Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.4Å; A223-V272 WeakPolarHBondContact O-CA 3.43Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 3.04Å; A223-V273 PolarHBondContact O-N 3.37Å
224	T	97.6	Very high	95.8	Very high	17 Å²	17	48.8 Å²	48.8	10%	0.104	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.9	169.5	-54.5	0	0	0	0	109.9	H216 L218 A270 V271	H216-T224 PolarHBondContact N-O 2.99Å; H216-T224 PolarHBondContact O-N 3.36Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.45Å; T224-A270 HydrophobicContact CG2-CB 3.89Å; T224-V271 WeakPolarHBondContact CA-O 3.21Å
225	L	98.1	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.9	163.6	-62.6	-175.8	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.49Å; T214-L225 WeakPolarHBondContact O-CA 3.01Å; H215-L225 HydrophobicContact CB-CD2 4.02Å; L225-W241 HydrophobicContact CB-CH2 3.73Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CD1-CH2 4.1Å; L225-W241 HydrophobicContact CD1-CZ3 4.26Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.42Å; L225-V271 PolarHBondContact O-N 2.9Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.09Å; L225-V273 HydrophobicContact CG-CG1 4.13Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.46Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.96Å
226	R	98.3	Very high	95.8	Very high	52 Å²	52	51.7 Å²	51.7	20%	0.196	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.9	176.1	-179.2	-176.4	-61.8	117.4	2.8	110.4	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.49Å; T214-R226 PolarHBondContact N-O 3.24Å; T214-R226 PolarHBondContact O-N 3.02Å; T214-R226 WeakPolarHBondContact OG1-CB 3.34Å; T214-R226 PolarHBondContact OG1-O 2.91Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; H216-R226 PolarHBondContact CE1-NH1 2.98Å; H216-R226 VanDerWaalsContact CE1-NH1 3.34Å; R226-W228 HydrophobicContact CG-CZ2 4.4Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.47Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.12Å
227	C	98.2	Very high	95.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.7	176.6	-175.6	0	0	0	0	109.4	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.47Å; C227-W241 HydrophobicContact CB-CH2 4.42Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.4Å; C227-A269 PolarHBondContact N-O 2.87Å; C227-A269 PolarHBondContact O-N 3.09Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.34Å; C227-C283 CovalentContact SG-SG 2.04Å; C227-C283 PolarHBondContact SG-SG 3.04Å
228	W	98.4	Very high	96	Very high	49 Å²	49	46.6 Å²	46.6	19%	0.186	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.3	-178	-69.9	89.8	0	0	0	111.2	T211 H212 T214 R226 L230 W268	T211-W228 VanDerWaalsContact CA-O 3.24Å; T211-W228 WeakPolarHBondContact CA-O 3.46Å; H212-W228 AromaticContact CD2-CD1 3.95Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.47Å; H212-W228 AromaticContact CE1-CD1 3.83Å; H212-W228 AromaticContact CE1-CG 3.6Å; H212-W228 PolarHBondContact N-O 2.85Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.69Å; H212-W228 PolarHBondContact O-N 2.79Å; T214-W228 PolarHBondContact OG1-NE1 3.45Å; R226-W228 HydrophobicContact CG-CZ2 4.4Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.15Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.3Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å
229	A	98.4	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.8	163.3	0	0	0	0	0	108	P209 F232 I237 L239 Q266 K267 M285	P209-A229 HydrophobicContact CB-CB 3.87Å; A229-F232 HydrophobicContact CB-CD1 3.94Å; A229-F232 HydrophobicContact CB-CE1 3.67Å; A229-F232 WeakPolarHBondContact O-CE1 3.34Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4.22Å; A229-L239 HydrophobicContact CB-CD2 4.26Å; A229-Q266 CarbonylContact O-C 3.53Å; A229-Q266 VanDerWaalsContact O-CA 3.26Å; A229-Q266 WeakPolarHBondContact O-CA 3.38Å; A229-K267 PolarHBondContact N-O 2.86Å; A229-K267 PolarHBondContact O-N 2.63Å; A229-K267 VanDerWaalsContact O-O 3.08Å; A229-M285 HydrophobicContact CB-CE 3.69Å; A229-M285 HydrophobicContact CB-SD 3.94Å
230	L	98.3	Very high	96.6	Very high	54 Å²	54	41.5 Å²	41.5	28%	0.283	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.8	-176.1	-59.4	177.4	0	0	0	111.2	K210 W228 F232 Q266	K210-L230 HydrophobicContact CB-CB 4.47Å; K210-L230 PolarHBondContact N-O 3.09Å; K210-L230 PolarHBondContact O-N 3.05Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.42Å; L230-F232 PolarHBondContact O-N 3.01Å; L230-Q266 HydrophobicContact CD2-CB 3.59Å
231	G	97.6	Very high	97	Very high	18 Å²	18	34.6 Å²	34.6	19%	0.186	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.3	32.7	168.5	0	0	0	0	0	114	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; G231-F265 PolarHBondContact N-O 3.37Å
232	F	97.5	Very high	97.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	156.4	179.7	59.7	-89.7	0	0	0	112.4	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.36Å; E207-F232 WeakPolarHBondContact O-CB 3.14Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.18Å; A229-F232 HydrophobicContact CB-CD1 3.94Å; A229-F232 HydrophobicContact CB-CE1 3.67Å; A229-F232 WeakPolarHBondContact O-CE1 3.34Å; L230-F232 PolarHBondContact O-N 3.01Å; F232-P234 WeakPolarHBondContact CD2-O 3.44Å; F232-I237 HydrophobicContact CD1-CD1 4.01Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 4.04Å; F232-I237 HydrophobicContact CE1-CD1 3.92Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.78Å; F232-I237 HydrophobicContact CE2-CD1 3.98Å; F232-I237 HydrophobicContact CE2-CG1 4.47Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.08Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.93Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.92Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.48Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.42Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.24Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 3.49Å; F232-F265 PolarHBondContact O-N 2.8Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.7Å
233	Y	96.2	Very high	97.3	Very high	5 Å²	5	29 Å²	29	2%	0.02	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-151.2	136.6	173.4	178.9	-84.3	0	0	0	108.9	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.02Å; T55-Y233 PolarHBondContact OG1-OH 2.92Å; R205-Y233 HydrophobicContact CG-CD1 4.27Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.47Å; A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 WeakPolarHBondContact CA-O 3.26Å; E207-Y233 PolarHBondContact N-O 3.41Å; E207-Y233 PolarHBondContact O-N 2.81Å; E207-Y233 VanDerWaalsContact O-N 3.09Å; Y233-G263 WeakPolarHBondContact CD2-O 3.48Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CE2-CE2 4.44Å; Y233-H287 PolarHBondContact O-CE1 3.41Å
234	P	95.4	Very high	97.2	Very high	18 Å²	18	33.6 Å²	33.6	12%	0.117	17%	0.171	C	C	.	.	S	Bend	cis	-72.3	179.6	1.9	30.6	-36.3	0	0	0	113.1	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.27Å; D54-P234 WeakPolarHBondContact OD2-CB 3.43Å; F232-P234 WeakPolarHBondContact CD2-O 3.44Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 2.88Å; P234-H287 PolarHBondContact O-NE2 3.01Å
235	A	96.5	Very high	97	Very high	15 Å²	15	35.2 Å²	35.2	12%	0.124	19%	0.191	C	C	.	.	S	Bend	trans	-70.4	-24.8	-175.8	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.34Å; D54-A235 WeakPolarHBondContact OD2-CB 3.21Å; D54-A235 PolarHBondContact OD2-N 3.43Å; A235-I237 PolarHBondContact O-N 2.92Å; A235-T257 HydrophobicContact CB-CG2 4.26Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.6	Very high	96.9	Very high	132 Å²	132	41.4 Å²	41.4	62%	0.617	22%	0.22	S	C	*	.			trans	-64.6	116.5	179.5	-171	58.5	-142.7	0	0	110.2	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 2.88Å; E236-H287 PolarHBondContact O-CD2 3.42Å
237	I	96	Very high	96.7	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.056	24%	0.235	C	C	.	.			trans	-152.7	138.5	-178.9	-164.2	171.5	0	0	0	109.6	P209 A229 F232 A235 L239 K267 M285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.18Å; P209-I237 HydrophobicContact CG-CD1 4.08Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 4.01Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 4.04Å; F232-I237 HydrophobicContact CE1-CD1 3.92Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.78Å; F232-I237 HydrophobicContact CE2-CD1 3.98Å; F232-I237 HydrophobicContact CE2-CG1 4.47Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.08Å; F232-I237 HydrophobicContact CZ-CB 4.17Å; F232-I237 HydrophobicContact CZ-CD1 3.93Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 2.92Å; I237-L239 HydrophobicContact CB-CD1 4.38Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 4Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.63Å; I237-M285 HydrophobicContact CD1-CG 4.15Å; I237-M285 HydrophobicContact CD1-SD 4.03Å; I237-M285 HydrophobicContact CG1-CG 4.37Å; I237-Q286 WeakPolarHBondContact CG1-O 3.13Å; I237-H287 HydrophobicContact CD1-CB 4.23Å; I237-H287 HydrophobicContact CG1-CB 4.03Å
238	T	96.7	Very high	96.6	Very high	60 Å²	60	44.1 Å²	44.1	37%	0.368	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.5	174.6	-63.4	0	0	0	0	110.3	T240 M285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.17Å; T238-M285 VanDerWaalsContact O-CA 3.31Å; T238-M285 WeakPolarHBondContact O-CA 3.38Å; T238-Q286 PolarHBondContact N-O 3.49Å; T238-Q286 PolarHBondContact O-N 2.83Å
239	L	97.3	Very high	96.2	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.9	173.6	-85.4	66.4	0	0	0	109	A229 I237 L254 K267 A269 H284 M285	A229-L239 HydrophobicContact CB-CD1 4.22Å; A229-L239 HydrophobicContact CB-CD2 4.26Å; I237-L239 HydrophobicContact CB-CD1 4.38Å; I237-L239 HydrophobicContact CD1-CD1 3.67Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 4Å; L239-L254 HydrophobicContact CB-CD1 4.1Å; L239-K267 HydrophobicContact CD1-CD 4.25Å; L239-K267 HydrophobicContact CD2-CB 4.47Å; L239-A269 HydrophobicContact CB-CB 4.13Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; L239-H284 WeakPolarHBondContact CA-O 3.41Å; L239-M285 HydrophobicContact CD1-CE 4.15Å; L239-M285 HydrophobicContact CD1-CG 4.05Å; L239-M285 HydrophobicContact CD1-SD 4.48Å; L239-M285 HydrophobicContact CD2-CE 4.27Å; L239-M285 HydrophobicContact CG-CE 4.02Å
240	T	97.3	Very high	95.9	Very high	45 Å²	45	55.9 Å²	55.9	28%	0.276	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.9	178.3	50.8	0	0	0	0	110.7	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.17Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.35Å; T240-H284 PolarHBondContact N-O 2.56Å; T240-H284 PolarHBondContact O-N 2.81Å; T240-H284 WeakPolarHBondContact OG1-CB 3.46Å; T240-H284 PolarHBondContact OG1-O 2.85Å
241	W	98.1	Very high	95.4	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.3	168.9	-83.1	105.6	0	0	0	109.7	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.92Å; V213-W241 HydrophobicContact CG1-CZ2 4.37Å; V213-W241 HydrophobicContact CG2-CH2 4.44Å; L225-W241 HydrophobicContact CB-CH2 3.73Å; L225-W241 HydrophobicContact CB-CZ2 3.81Å; L225-W241 HydrophobicContact CD1-CH2 4.1Å; L225-W241 HydrophobicContact CD1-CZ3 4.26Å; C227-W241 HydrophobicContact CB-CH2 4.42Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 3.32Å; W241-A269 PolarHBondContact NE1-O 2.83Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CB 4.46Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 4.02Å; W241-V271 HydrophobicContact CG-CB 4.12Å; W241-V271 HydrophobicContact CG-CG1 3.75Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; W241-T282 WeakPolarHBondContact CA-O 3.49Å; W241-T282 VanDerWaalsContact CE3-C 3.4Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.08Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	97.9	Very high	95.3	Very high	39 Å²	39	58.9 Å²	58.9	18%	0.182	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.9	171.2	-69.1	-172.7	-4.4	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.46Å; Q242-D247 PolarHBondContact NE2-OD1 2.8Å; Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.5Å; Q242-T282 PolarHBondContact N-O 2.94Å; Q242-T282 PolarHBondContact O-N 2.84Å; Q242-H284 PolarHBondContact OE1-NE2 3Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.12Å
243	R	97.4	Very high	95.3	Very high	83 Å²	83	64.2 Å²	64.2	31%	0.313	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.6	168	-176.8	-178	69.3	-165.7	-5.8	108.6	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 2.86Å; R243-G245 VanDerWaalsContact O-N 3.1Å; R243-E246 PolarHBondContact N-O 3.12Å; R243-E246 PolarHBondContact O-N 3.05Å; R243-Q248 HydrophobicContact CB-CG 3.97Å; R243-R280 WeakPolarHBondContact CA-O 3.23Å; R243-R280 HydrophobicContact CG-CB 4.38Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 WeakPolarHBondContact CD-OH 3.38Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.45Å; R243-Y281 HydrophobicContact CG-CE1 4.15Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å
244	D	95.1	Very high	95.4	Very high	99 Å²	99	68.1 Å²	68.1	53%	0.529	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	32.9	-174.5	-47.6	-61.4	0	0	0	113.8	R280	D244-R280 PolarHBondContact N-O 2.97Å; D244-R280 IonicContact OD1-CZ 3.95Å; D244-R280 IonicContact OD1-NE 2.82Å; D244-R280 PolarHBondContact OD1-NE 2.83Å; D244-R280 VanDerWaalsContact OD1-NE 3.12Å; D244-R280 IonicContact OD1-NH2 3.99Å; D244-R280 IonicContact OD2-CZ 3.67Å; D244-R280 IonicContact OD2-NE 3.86Å; D244-R280 PolarHBondContact OD2-NE 3.12Å; D244-R280 IonicContact OD2-NH2 2.6Å; D244-R280 PolarHBondContact OD2-NH2 2.77Å
245	G	92.1	Very high	95.4	Very high	50 Å²	50	68.9 Å²	68.9	52%	0.515	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	0.1	-177.8	0	0	0	0	0	115.8	R243	R243-G245 PolarHBondContact O-N 2.86Å; R243-G245 VanDerWaalsContact O-N 3.1Å
246	E	95.9	Very high	95.5	Very high	131 Å²	131	75.8 Å²	75.8	61%	0.612	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.7	175.4	-63.9	-175.5	166.5	0	0	111.9	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.58Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; R243-E246 PolarHBondContact N-O 3.12Å; R243-E246 PolarHBondContact O-N 3.05Å; E246-Q248 PolarHBondContact O-N 2.81Å; E246-Q248 PolarHBondContact O-NE2 3.16Å
247	D	95.6	Very high	95.6	Very high	95 Å²	95	71.5 Å²	71.5	51%	0.508	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	133.8	179.1	-68.2	-21.8	0	0	0	112.5	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.46Å; Q242-D247 PolarHBondContact NE2-OD1 2.8Å
248	Q	95.8	Very high	95.6	Very high	14 Å²	14	75.6 Å²	75.6	7%	0.065	39%	0.392	C	S	.	.			trans	-104.4	37.8	-178.6	-57.1	-59.3	-71.2	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 3.32Å; R243-Q248 HydrophobicContact CB-CG 3.97Å; E246-Q248 PolarHBondContact O-N 2.81Å; E246-Q248 PolarHBondContact O-NE2 3.16Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.04Å; Q248-D251 PolarHBondContact O-N 2.86Å; Q248-D251 VanDerWaalsContact O-N 3.16Å; Q248-T252 WeakPolarHBondContact O-CB 3.29Å; Q248-T252 PolarHBondContact O-N 2.85Å; Q248-T252 PolarHBondContact O-OG1 2.81Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å
249	T	90.3	Very high	95.7	Very high	106 Å²	106	77.1 Å²	77.1	65%	0.65	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-37.1	-169.6	-46.1	0	0	0	0	114
250	Q	90.9	Very high	95.6	Very high	190 Å²	190	79.2 Å²	79.2	89%	0.888	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-30.6	-178.7	-66.5	-174.8	4.2	0	0	113.2	Q248	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.04Å
251	D	89.2	Confident	95.4	Very high	111 Å²	111	80.7 Å²	80.7	59%	0.594	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	0.1	-177.4	-58.6	-47.6	0	0	0	112.2	Q248	Q248-D251 PolarHBondContact O-N 2.86Å; Q248-D251 VanDerWaalsContact O-N 3.16Å
252	T	95.6	Very high	95.2	Very high	23 Å²	23	86 Å²	86	14%	0.141	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.5	-179.6	-63.4	0	0	0	0	110.7	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.29Å; Q248-T252 PolarHBondContact O-N 2.85Å; Q248-T252 PolarHBondContact O-OG1 2.81Å; T252-L254 HydrophobicContact CG2-CB 4.41Å; T252-L254 PolarHBondContact O-N 3.41Å; T252-A269 HydrophobicContact CG2-CB 3.94Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 WeakPolarHBondContact CA-O 3.34Å
253	E	97.1	Very high	94.9	Very high	112 Å²	112	86.1 Å²	86.1	52%	0.523	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	105	163	-174	-174.6	-171.5	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.47Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.46Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.36Å; E253-A270 PolarHBondContact O-N 2.87Å
254	L	97	Very high	94.9	Very high	88 Å²	88	82.5 Å²	82.5	46%	0.461	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.1	176.7	-174.6	67.4	0	0	0	109.6	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.1Å; T252-L254 HydrophobicContact CG2-CB 4.41Å; T252-L254 PolarHBondContact O-N 3.41Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; L254-A269 HydrophobicContact CD1-CB 3.69Å
255	V	97	Very high	95	Very high	33 Å²	33	79 Å²	79	20%	0.2	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-85.2	153.7	175	-64.2	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.25Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.16Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.22Å; V255-W268 HydrophobicContact CG1-CH2 3.52Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.01Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.44Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3.16Å
256	E	96.9	Very high	95.3	Very high	161 Å²	161	78.8 Å²	78.8	75%	0.752	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-58.3	146.8	168.6	-67.3	-58.7	162.1	0	0	111.7	R258	E256-R258 PolarHBondContact O-N 3.48Å
257	T	97.9	Very high	95.4	Very high	41 Å²	41	73.3 Å²	73.3	25%	0.252	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-66.6	130.6	174.2	-56.5	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.92Å; A235-T257 HydrophobicContact CB-CG2 4.26Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.26Å; T257-K267 PolarHBondContact OG1-NZ 2.96Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
258	R	97.4	Very high	95.6	Very high	97 Å²	97	70 Å²	70	37%	0.366	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.1	-174.6	68.4	-167	-180	-177.6	4.5	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.48Å; R258-F265 WeakPolarHBondContact O-CA 3.31Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.25Å; R258-Q266 WeakPolarHBondContact O-CG 3.47Å; R258-Q266 PolarHBondContact O-N 3.24Å
259	P	97.3	Very high	95.7	Very high	93 Å²	93	69.3 Å²	69.3	60%	0.604	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	143.8	178.1	28.5	-34.7	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CE1 4.29Å
260	A	96.6	Very high	96.1	Very high	50 Å²	50	64.4 Å²	64.4	41%	0.413	36%	0.361	S	S	.	.			trans	-87	-18	173.2	0	0	0	0	0	112.8	T264	A260-T264 WeakPolarHBondContact CB-O 3.24Å; A260-T264 PolarHBondContact N-O 2.91Å
261	G	93.4	Very high	96.4	Very high	77 Å²	77	55.5 Å²	55.5	79%	0.794	32%	0.319	S	S	*	.	S	Bend	trans	97.1	-6.4	178.1	0	0	0	0	0	115
262	D	92.9	Very high	96.8	Very high	112 Å²	112	53.5 Å²	53.5	60%	0.599	31%	0.311	S	S	*	.	S	Bend	trans	-105.7	12	176.3	60.7	0.4	0	0	0	113	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.48Å; D262-T264 PolarHBondContact OD1-N 2.83Å; D262-T264 PolarHBondContact OD1-OG1 2.96Å
263	G	91.9	Very high	96.9	Very high	42 Å²	42	52.4 Å²	52.4	43%	0.433	31%	0.305	S	S	.	.	S	Bend	trans	91.9	-4.2	-173.7	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.48Å
264	T	96.8	Very high	96.8	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.049	29%	0.294	C	S	.	.			trans	-103.5	173.4	175.6	73.3	0	0	0	0	112.6	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.4Å; F232-T264 CarbonylContact O-C 3.59Å; F232-T264 WeakPolarHBondContact O-CA 3.48Å; A260-T264 WeakPolarHBondContact CB-O 3.24Å; A260-T264 PolarHBondContact N-O 2.91Å; D262-T264 WeakPolarHBondContact OD1-CB 3.48Å; D262-T264 PolarHBondContact OD1-N 2.83Å; D262-T264 PolarHBondContact OD1-OG1 2.96Å
265	F	98.2	Very high	96.6	Very high	25 Å²	25	47.6 Å²	47.6	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	163.3	-177.4	-63.5	-85.9	0	0	0	112.5	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.7Å; G231-F265 PolarHBondContact N-O 3.37Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.42Å; F232-F265 HydrophobicContact CD2-CB 3.95Å; F232-F265 HydrophobicContact CE1-CB 4.24Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 3.49Å; F232-F265 PolarHBondContact O-N 2.8Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CD2-CE2 3.98Å; Y233-F265 HydrophobicContact CE2-CE2 4.44Å; A235-F265 HydrophobicContact CB-CD1 3.72Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.74Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.31Å; P259-F265 HydrophobicContact CB-CE1 4.29Å
266	Q	98.3	Very high	96.4	Very high	45 Å²	45	49.2 Å²	49.2	21%	0.21	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.3	173.9	41.8	166.5	-19	0	0	110	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.53Å; A229-Q266 VanDerWaalsContact O-CA 3.26Å; A229-Q266 WeakPolarHBondContact O-CA 3.38Å; L230-Q266 HydrophobicContact CD2-CB 3.59Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.25Å; R258-Q266 WeakPolarHBondContact O-CG 3.47Å; R258-Q266 PolarHBondContact O-N 3.24Å
267	K	98.5	Very high	96.3	Very high	17 Å²	17	44.7 Å²	44.7	7%	0.074	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	155.1	176.5	-160.9	-176	-172.1	69.6	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.86Å; A229-K267 PolarHBondContact O-N 2.63Å; 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 3.63Å; L239-K267 HydrophobicContact CD1-CD 4.25Å; L239-K267 HydrophobicContact CD2-CB 4.47Å; L254-K267 HydrophobicContact CD1-CD 4.42Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.25Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.16Å; T257-K267 WeakPolarHBondContact OG1-CD 3.26Å; T257-K267 PolarHBondContact OG1-NZ 2.96Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
268	W	98.3	Very high	96.1	Very high	24 Å²	24	43.7 Å²	43.7	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.8	169.5	58.2	-98.7	0	0	0	111.3	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.09Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.48Å; C227-W268 WeakPolarHBondContact O-CB 3.4Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.45Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.15Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.3Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.38Å; W228-W268 HydrophobicContact CZ3-CG 4.09Å; E253-W268 HydrophobicContact CB-CZ3 4.25Å; E253-W268 HydrophobicContact CG-CH2 3.94Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.47Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.22Å; V255-W268 HydrophobicContact CG1-CH2 3.52Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.01Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.44Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3.16Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.3	Very high	96	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.2	173.4	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.47Å; C227-A269 PolarHBondContact N-O 2.87Å; C227-A269 PolarHBondContact O-N 3.09Å; L239-A269 HydrophobicContact CB-CB 4.13Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; W241-A269 PolarHBondContact NE1-O 2.83Å; T252-A269 HydrophobicContact CG2-CB 3.94Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.46Å; L254-A269 HydrophobicContact CD1-CB 3.69Å
270	A	98	Very high	96	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.025	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.2	179.1	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.89Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.43Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.12Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 WeakPolarHBondContact CA-O 3.34Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.36Å; E253-A270 PolarHBondContact O-N 2.87Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	98	Very high	96	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.8	176.2	63.2	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.21Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.42Å; L225-V271 PolarHBondContact O-N 2.9Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CB 4.46Å; W241-V271 HydrophobicContact CD2-CG1 3.6Å; W241-V271 HydrophobicContact CE3-CG1 4.02Å; W241-V271 HydrophobicContact CG-CB 4.12Å; W241-V271 HydrophobicContact CG-CG1 3.75Å; W241-V271 HydrophobicContact CZ2-CG1 4.33Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.44Å; V271-Y281 HydrophobicContact CG1-CD1 4Å; V271-Y281 HydrophobicContact CG1-CE1 4.43Å; V271-Y281 HydrophobicContact CG2-CD1 4.34Å; V271-Y281 HydrophobicContact CG2-CE1 4Å
272	V	97.6	Very high	96.2	Very high	69 Å²	69	40.8 Å²	40.8	42%	0.418	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.3	171.5	-179.4	0	0	0	0	108.2	L218 E222 A223	L218-V272 HydrophobicContact CD1-CG1 4.18Å; L218-V272 HydrophobicContact CD1-CG2 4.2Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.36Å; A223-V272 WeakPolarHBondContact O-CA 3.43Å
273	V	96.8	Very high	96.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.6	-175.7	-52.1	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.27Å; A223-V273 HydrophobicContact CB-CG2 4.48Å; A223-V273 PolarHBondContact N-O 3.04Å; A223-V273 PolarHBondContact O-N 3.37Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.09Å; L225-V273 HydrophobicContact CG-CG1 4.13Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.8Å; V271-V273 HydrophobicContact CG2-CG1 4.44Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.65Å
274	P	96.6	Very high	96.7	Very high	47 Å²	47	35.5 Å²	35.5	31%	0.305	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.1	170.5	-19.5	32.1	0	0	0	111.2	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.42Å; P274-G276 PolarHBondContact O-N 3.42Å; P274-Q277 HydrophobicContact CB-CB 4.39Å; P274-Q277 HydrophobicContact CB-CG 4.17Å; P274-Q277 WeakPolarHBondContact O-CB 3.27Å; P274-Q277 PolarHBondContact O-N 2.78Å
275	S	92.7	Very high	96.7	Very high	52 Å²	52	35.1 Å²	35.1	36%	0.364	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	130.7	175.5	-61.9	0	0	0	0	111.1	D220 H221 E222 Q277 E278	D220-S275 WeakPolarHBondContact O-CB 3.2Å; D220-S275 PolarHBondContact O-OG 3.2Å; H221-S275 PolarHBondContact O-N 3.45Å; H221-S275 PolarHBondContact O-OG 3.25Å; E222-S275 PolarHBondContact N-OG 3.15Å; S275-Q277 VanDerWaalsContact C-N 3.32Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å
276	G	91.4	Very high	96.6	Very high	67 Å²	67	37.8 Å²	37.8	69%	0.691	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	-1.7	-178.2	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.42Å; G276-E278 WeakPolarHBondContact CA-OE2 3.13Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.38Å; G276-E278 PolarHBondContact N-OE2 3.35Å
277	Q	95.2	Very high	96.5	Very high	66 Å²	66	35.8 Å²	35.8	31%	0.308	20%	0.196	S	C	.	.			trans	-106.3	6.4	174.9	-60.3	-168.1	41.1	0	0	113.1	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.39Å; P274-Q277 HydrophobicContact CB-CG 4.17Å; P274-Q277 WeakPolarHBondContact O-CB 3.27Å; P274-Q277 PolarHBondContact O-N 2.78Å; S275-Q277 VanDerWaalsContact C-N 3.32Å; Q277-Q279 PolarHBondContact O-N 2.8Å; Q277-Q279 VanDerWaalsContact O-N 3.13Å; Q277-R280 WeakPolarHBondContact O-CB 3.33Å; Q277-R280 PolarHBondContact O-N 2.85Å; Q277-Y281 HydrophobicContact CB-CE2 4.47Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.44Å
278	E	94.8	Very high	96.2	Very high	19 Å²	19	37.8 Å²	37.8	9%	0.089	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-57.1	-35.3	-172.9	-57.4	80.4	-177	0	0	112.3	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.53Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.46Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; S275-E278 WeakPolarHBondContact CA-OE1 3.45Å; G276-E278 WeakPolarHBondContact CA-OE2 3.13Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.38Å; G276-E278 PolarHBondContact N-OE2 3.35Å; E278-R280 PolarHBondContact O-N 3.25Å; E278-Y281 PolarHBondContact O-N 3.26Å; E278-Y281 VanDerWaalsContact O-N 3.14Å; E278-W298 HydrophobicContact CB-CD2 4.41Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.82Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	94.6	Very high	95.9	Very high	111 Å²	111	37.7 Å²	37.7	52%	0.519	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-70.4	-14.7	-179.8	-62.2	-57.8	-43.1	0	0	114.1	Q277 Y281 W298	Q277-Q279 PolarHBondContact O-N 2.8Å; Q277-Q279 VanDerWaalsContact O-N 3.13Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-W298 PolarHBondContact NE2-O 2.77Å
280	R	96.5	Very high	95.8	Very high	112 Å²	112	39 Å²	39	42%	0.423	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-79.4	-13	173.8	-63.4	175.2	68.5	-177.7	8.3	112.3	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.23Å; R243-R280 HydrophobicContact CG-CB 4.38Å; D244-R280 PolarHBondContact N-O 2.97Å; D244-R280 IonicContact OD1-CZ 3.95Å; D244-R280 IonicContact OD1-NE 2.82Å; D244-R280 PolarHBondContact OD1-NE 2.83Å; D244-R280 VanDerWaalsContact OD1-NE 3.12Å; D244-R280 IonicContact OD1-NH2 3.99Å; D244-R280 IonicContact OD2-CZ 3.67Å; D244-R280 IonicContact OD2-NE 3.86Å; D244-R280 PolarHBondContact OD2-NE 3.12Å; D244-R280 IonicContact OD2-NH2 2.6Å; D244-R280 PolarHBondContact OD2-NH2 2.77Å; Q277-R280 WeakPolarHBondContact O-CB 3.33Å; Q277-R280 PolarHBondContact O-N 2.85Å; E278-R280 PolarHBondContact O-N 3.25Å
281	Y	97.6	Very high	95.4	Very high	7 Å²	7	48.5 Å²	48.5	3%	0.027	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.7	-177.4	-69.8	-101.1	0	0	0	110.7	Q242 R243 Q248 V271 V273 Q277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.5Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.92Å; R243-Y281 WeakPolarHBondContact CD-OH 3.38Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.45Å; R243-Y281 HydrophobicContact CG-CE1 4.15Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å; V271-Y281 HydrophobicContact CG1-CD1 4Å; V271-Y281 HydrophobicContact CG1-CE1 4.43Å; V271-Y281 HydrophobicContact CG2-CD1 4.34Å; V271-Y281 HydrophobicContact CG2-CE1 4Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.72Å; V273-Y281 HydrophobicContact CG1-CD1 3.7Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.65Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.65Å; Q277-Y281 HydrophobicContact CB-CE2 4.47Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.44Å; E278-Y281 PolarHBondContact O-N 3.26Å; E278-Y281 VanDerWaalsContact O-N 3.14Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	97.8	Very high	95.2	Very high	27 Å²	27	55.7 Å²	55.7	17%	0.166	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.6	177.4	50.7	0	0	0	0	110.1	W241 Q242 H284 T295 L296	W241-T282 WeakPolarHBondContact CA-O 3.49Å; W241-T282 VanDerWaalsContact CE3-C 3.4Å; Q242-T282 PolarHBondContact N-O 2.94Å; Q242-T282 PolarHBondContact O-N 2.84Å; T282-H284 PolarHBondContact OG1-NE2 3.18Å; T282-T295 HydrophobicContact CG2-CG2 4.02Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å
283	C	97.9	Very high	95	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121.2	171.6	174.2	0	0	0	0	109.1	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.34Å; C227-C283 CovalentContact SG-SG 2.04Å; C227-C283 PolarHBondContact SG-SG 3.04Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.35Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.98Å; W241-C283 HydrophobicContact CZ2-CB 4.08Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.43Å; C283-T295 WeakPolarHBondContact O-CA 3.11Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 2.93Å; C283-L296 PolarHBondContact O-N 3.02Å
284	H	97.4	Very high	94.9	Very high	42 Å²	42	59.1 Å²	59.1	19%	0.194	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.8	176.7	-66.2	-102.7	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.41Å; T240-H284 PolarHBondContact N-O 2.56Å; T240-H284 PolarHBondContact O-N 2.81Å; T240-H284 WeakPolarHBondContact OG1-CB 3.46Å; T240-H284 PolarHBondContact OG1-O 2.85Å; Q242-H284 PolarHBondContact OE1-NE2 3Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.12Å; T282-H284 PolarHBondContact OG1-NE2 3.18Å; H284-L294 CarbonylContact C-O 3.48Å; H284-L294 WeakPolarHBondContact CA-O 3.45Å; H284-T295 PolarHBondContact ND1-OG1 2.83Å
285	M	96.6	Very high	95	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.8	-174.4	-173.3	176.9	-56.8	0	0	111.7	P209 T211 A229 I237 T238 L239 L290 P293 L294 L296	P209-M285 HydrophobicContact CB-SD 3.87Å; P209-M285 HydrophobicContact CG-CG 4.47Å; P209-M285 HydrophobicContact CG-SD 3.37Å; P209-M285 WeakPolarHBondContact CG-SD 3.37Å; T211-M285 HydrophobicContact CG2-CE 3.46Å; T211-M285 VanDerWaalsContact CG2-CE 3.46Å; T211-M285 HydrophobicContact CG2-SD 3.36Å; T211-M285 WeakPolarHBondContact CG2-SD 3.45Å; A229-M285 HydrophobicContact CB-CE 3.69Å; A229-M285 HydrophobicContact CB-SD 3.94Å; I237-M285 HydrophobicContact CD1-CG 4.15Å; I237-M285 HydrophobicContact CD1-SD 4.03Å; I237-M285 HydrophobicContact CG1-CG 4.37Å; T238-M285 VanDerWaalsContact O-CA 3.31Å; T238-M285 WeakPolarHBondContact O-CA 3.38Å; L239-M285 HydrophobicContact CD1-CE 4.15Å; L239-M285 HydrophobicContact CD1-CG 4.05Å; L239-M285 HydrophobicContact CD1-SD 4.48Å; L239-M285 HydrophobicContact CD2-CE 4.27Å; L239-M285 HydrophobicContact CG-CE 4.02Å; M285-L290 HydrophobicContact CG-CD1 4.33Å; M285-P293 CarbonylContact O-C 3.59Å; M285-P293 WeakPolarHBondContact O-CA 3.28Å; M285-L294 HydrophobicContact CB-CB 4.34Å; M285-L294 PolarHBondContact N-O 3.06Å; M285-L294 PolarHBondContact O-N 3.42Å; M285-L296 HydrophobicContact CE-CD1 4.25Å
286	Q	96.6	Very high	95.1	Very high	82 Å²	82	59.8 Å²	59.8	38%	0.383	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.1	175.6	-57.7	-179.8	14.1	0	0	109.7	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.13Å; T238-Q286 PolarHBondContact N-O 3.49Å; T238-Q286 PolarHBondContact O-N 2.83Å; Q286-P293 HydrophobicContact CG-CB 4.06Å; Q286-P293 HydrophobicContact CG-CG 4.2Å
287	H	95.4	Very high	95.3	Very high	3 Å²	3	59 Å²	59	1%	0.014	30%	0.3	C	S	.	.			trans	-157.8	152	-178.4	-174.4	-98	0	0	0	110.1	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 VanDerWaalsContact CH2-CA 3.47Å; E207-H287 PolarHBondContact O-CE1 3.18Å; P209-H287 HydrophobicContact CG-CB 4.27Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.7Å; Y233-H287 PolarHBondContact O-CE1 3.41Å; P234-H287 PolarHBondContact O-NE2 3.01Å; E236-H287 PolarHBondContact O-CD2 3.42Å; I237-H287 HydrophobicContact CD1-CB 4.23Å; I237-H287 HydrophobicContact CG1-CB 4.03Å; H287-G289 VanDerWaalsContact C-N 3.26Å; H287-G289 PolarHBondContact ND1-N 3.47Å; H287-G289 PolarHBondContact O-N 3.22Å; H287-L290 HydrophobicContact CB-CD1 3.89Å; H287-L290 HydrophobicContact CB-CG 4.07Å; H287-L290 WeakPolarHBondContact O-CB 3.48Å; H287-L290 PolarHBondContact O-N 3.44Å
288	E	92.4	Very high	95.3	Very high	58 Å²	58	58 Å²	58	27%	0.271	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.1	-175	-165.5	165.6	158.3	0	0	112.8	W23 C25 A206 L290	W23-E288 HydrophobicContact CB-CG 4.5Å; W23-E288 HydrophobicContact CD2-CB 4.08Å; W23-E288 HydrophobicContact CD2-CG 4.04Å; W23-E288 HydrophobicContact CE3-CB 3.23Å; W23-E288 HydrophobicContact CE3-CG 3.31Å; W23-E288 HydrophobicContact CH2-CB 3.98Å; W23-E288 HydrophobicContact CZ3-CB 3.19Å; W23-E288 HydrophobicContact CZ3-CG 3.85Å; C25-E288 PolarHBondContact SG-OE1 3.15Å; A206-E288 HydrophobicContact CB-CB 4.06Å; A206-E288 HydrophobicContact CB-CG 4.01Å; E288-L290 PolarHBondContact O-N 3.03Å
289	G	92.7	Very high	95	Very high	23 Å²	23	65.1 Å²	65.1	24%	0.237	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.4	-179.9	0	0	0	0	0	113	H287	H287-G289 VanDerWaalsContact C-N 3.26Å; H287-G289 PolarHBondContact ND1-N 3.47Å; H287-G289 PolarHBondContact O-N 3.22Å
290	L	94.3	Very high	94.3	Very high	27 Å²	27	63.5 Å²	63.5	14%	0.141	33%	0.326	C	S	.	.			trans	-93	130.1	179.7	-62.7	172.9	0	0	0	110.6	P208 P209 M285 H287 E288 E292 L294	P208-L290 HydrophobicContact CB-CD2 3.9Å; P209-L290 HydrophobicContact CG-CD1 4.12Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.38Å; M285-L290 HydrophobicContact CG-CD1 4.33Å; H287-L290 HydrophobicContact CB-CD1 3.89Å; H287-L290 HydrophobicContact CB-CG 4.07Å; H287-L290 WeakPolarHBondContact O-CB 3.48Å; H287-L290 PolarHBondContact O-N 3.44Å; E288-L290 PolarHBondContact O-N 3.03Å; L290-E292 VanDerWaalsContact C-N 3.29Å; L290-E292 PolarHBondContact O-N 2.88Å; L290-L294 HydrophobicContact CD1-CB 4.45Å; L290-L294 HydrophobicContact CD1-CD1 3.89Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.53Å; L290-L294 HydrophobicContact CD2-CG 3.92Å; L290-L294 HydrophobicContact CG-CD1 4.37Å; L290-L294 HydrophobicContact CG-CG 4.49Å
291	Q	91.4	Very high	92.8	Very high	203 Å²	203	63.2 Å²	63.2	95%	0.949	34%	0.341	S	S	*	.	S	Bend	trans	-65	-36.4	174.8	-67	-177.9	-4.8	0	0	112
292	E	92.4	Very high	90.5	Very high	154 Å²	154	68.3 Å²	68.3	72%	0.72	38%	0.378	S	S	*	.	S	Bend	trans	-140	151.4	176.6	-65.3	-176.9	178.5	0	0	109.2	L290 L294	L290-E292 VanDerWaalsContact C-N 3.29Å; L290-E292 PolarHBondContact O-N 2.88Å; E292-L294 PolarHBondContact O-N 2.88Å
293	P	94.3	Very high	88	Confident	82 Å²	82	74.8 Å²	74.8	53%	0.532	41%	0.406	S	S	.	.			trans	-52.6	134.8	172.6	-27	35.9	0	0	0	112	M285 Q286	M285-P293 CarbonylContact O-C 3.59Å; M285-P293 WeakPolarHBondContact O-CA 3.28Å; Q286-P293 HydrophobicContact CG-CB 4.06Å; Q286-P293 HydrophobicContact CG-CG 4.2Å
294	L	95.3	Very high	85.5	Confident	59 Å²	59	79.8 Å²	79.8	31%	0.309	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	141.3	177.4	-68.6	177.2	0	0	0	110.7	T211 H284 M285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.24Å; H284-L294 CarbonylContact C-O 3.48Å; H284-L294 WeakPolarHBondContact CA-O 3.45Å; M285-L294 HydrophobicContact CB-CB 4.34Å; M285-L294 PolarHBondContact N-O 3.06Å; M285-L294 PolarHBondContact O-N 3.42Å; L290-L294 HydrophobicContact CD1-CB 4.45Å; L290-L294 HydrophobicContact CD1-CD1 3.89Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.53Å; L290-L294 HydrophobicContact CD2-CG 3.92Å; L290-L294 HydrophobicContact CG-CD1 4.37Å; L290-L294 HydrophobicContact CG-CG 4.49Å; E292-L294 PolarHBondContact O-N 2.88Å
295	T	96.9	Very high	83.3	Confident	79 Å²	79	84.3 Å²	84.3	49%	0.485	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.8	170.2	-56	0	0	0	0	108.4	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 4.02Å; C283-T295 CarbonylContact O-C 3.43Å; C283-T295 WeakPolarHBondContact O-CA 3.11Å; H284-T295 PolarHBondContact ND1-OG1 2.83Å
296	L	96.3	Very high	81.2	Confident	35 Å²	35	89.2 Å²	89.2	18%	0.183	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131	-173.1	-61.2	160.5	0	0	0	110.2	T211 V213 T282 C283 M285	T211-L296 HydrophobicContact CG2-CD1 4.06Å; V213-L296 HydrophobicContact CG2-CB 3.91Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 2.93Å; C283-L296 PolarHBondContact O-N 3.02Å; M285-L296 HydrophobicContact CE-CD1 4.25Å
297	S	94.5	Very high	79.3	Confident	49 Å²	49	89.5 Å²	89.5	34%	0.343	50%	0.503	S	S	.	.			trans	-109	160.7	169.2	-57.8	0	0	0	0	109.9	E299	S297-E299 PolarHBondContact O-N 2.88Å
298	W	95	Very high	77.6	Confident	47 Å²	47	95 Å²	95	18%	0.178	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-71.1	123.6	170	170.1	59.6	0	0	0	110.6	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.79Å; H215-W298 AromaticContact CG-CZ2 3.81Å; L225-W298 HydrophobicContact CD1-CB 4.39Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.96Å; E278-W298 HydrophobicContact CB-CD2 4.41Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.82Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 2.77Å; W298-P300 HydrophobicContact CE3-CG 4.36Å; W298-P300 HydrophobicContact CH2-CB 4.16Å; W298-P300 HydrophobicContact CH2-CG 3.88Å; W298-P300 HydrophobicContact CZ2-CB 4.04Å; W298-P300 HydrophobicContact CZ2-CG 4.1Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å
299	E	88.5	Confident	76	Confident	167 Å²	167	100 Å²	100	78%	0.78	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-99.5	120.4	170	-71	-177.8	175.8	0	0	109.8	S297 S301	S297-E299 PolarHBondContact O-N 2.88Å; E299-S301 PolarHBondContact O-N 3.35Å
300	P	80.4	Confident	74.9	Confident	78 Å²	78	101.1 Å²	101.1	51%	0.506	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-58.5	131.1	170.6	-18.7	29.4	0	0	0	109.2	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.36Å; W298-P300 HydrophobicContact CH2-CB 4.16Å; W298-P300 HydrophobicContact CH2-CG 3.88Å; W298-P300 HydrophobicContact CZ2-CB 4.04Å; W298-P300 HydrophobicContact CZ2-CG 4.1Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å; P300-S302 PolarHBondContact O-N 2.71Å
301	S	64.3	Low	73.9	Confident	105 Å²	105	104.3 Å²	104.3	73%	0.734	58%	0.584	S	S	*	*			trans	-59.3	113.7	179.5	66.5	0	0	0	0	109.7	E299 Q303	E299-S301 PolarHBondContact O-N 3.35Å; S301-Q303 PolarHBondContact O-N 3.41Å
302	S	50	Low	73.2	Confident	115 Å²	115	99 Å²	99	80%	0.804	57%	0.565	S	S	*	*			trans	-76.9	69.5	166.8	61.7	0	0	0	0	107.8	P300 P304	P300-S302 PolarHBondContact O-N 2.71Å; S302-P304 WeakPolarHBondContact O-CD 3.34Å
303	Q	45.8	Very low	72.4	Confident	162 Å²	162	94.3 Å²	94.3	76%	0.757	55%	0.553	S	S	*	*			trans	-67	112.8	155.4	-81.1	-170.6	-19.4	0	0	105.4	S301 T305	S301-Q303 PolarHBondContact O-N 3.41Å; Q303-T305 PolarHBondContact O-N 3.09Å
304	P	44.6	Very low	71.9	Confident	106 Å²	106	92 Å²	92	69%	0.688	55%	0.545	S	S	*	.			trans	-59.9	114.7	166.5	25.2	-29.7	0	0	0	105.2	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.34Å; P304-I306 PolarHBondContact O-N 3.05Å
305	T	50.7	Low	71.4	Confident	136 Å²	136	94.2 Å²	94.2	83%	0.834	56%	0.556	S	S	*	*			trans	-62.6	83.8	162.1	-34.6	0	0	0	0	104.9	Q303 P307	Q303-T305 PolarHBondContact O-N 3.09Å; T305-P307 VanDerWaalsContact O-CD 3.28Å; T305-P307 WeakPolarHBondContact O-CD 3.38Å
306	I	53.7	Low	70.8	Confident	104 Å²	104	93 Å²	93	53%	0.533	55%	0.554	S	S	.	*			trans	-51.6	119.5	168.2	-62.9	175.4	0	0	0	103.1	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.05Å; I306-I308 HydrophobicContact CB-CG1 4.35Å; I306-I308 HydrophobicContact CG2-CG1 4.12Å; I306-I308 PolarHBondContact O-N 2.71Å; I306-I311 HydrophobicContact CG2-CD1 4.15Å
307	P	56.1	Low	70.3	Confident	87 Å²	87	95.4 Å²	95.4	57%	0.565	57%	0.57	S	S	*	*			trans	-75.3	73.1	-175.7	30.7	-33.4	0	0	0	107.1	T305 M309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.28Å; T305-P307 WeakPolarHBondContact O-CD 3.38Å; P307-M309 PolarHBondContact O-N 3.17Å; P307-M309 VanDerWaalsContact O-N 3.15Å; P307-G310 WeakPolarHBondContact O-CA 3.33Å; P307-G310 PolarHBondContact O-N 2.78Å; P307-I311 PolarHBondContact O-N 2.9Å; P307-I311 VanDerWaalsContact O-N 3.13Å
308	I	60.8	Low	69.9	Low	118 Å²	118	98.5 Å²	98.5	61%	0.605	58%	0.583	S	S	*	*	H	α-helix	trans	-54.4	-36.2	179.7	-66.7	168.6	0	0	0	108.4	I306 G310 I311 V312	I306-I308 HydrophobicContact CB-CG1 4.35Å; I306-I308 HydrophobicContact CG2-CG1 4.12Å; I306-I308 PolarHBondContact O-N 2.71Å; I308-G310 PolarHBondContact O-N 3.32Å; I308-I311 PolarHBondContact O-N 3.32Å; I308-V312 HydrophobicContact CG2-CG2 4.3Å; I308-V312 WeakPolarHBondContact O-CB 3.33Å; I308-V312 WeakPolarHBondContact O-CG2 3.31Å; I308-V312 PolarHBondContact O-N 3.23Å
309	M	59.1	Low	69.5	Low	164 Å²	164	100.7 Å²	100.7	81%	0.808	60%	0.601	S	S	*	*	H	α-helix	trans	-65.1	-35.7	175.7	-164.9	160	61.6	0	0	113.5	P307 A313	P307-M309 PolarHBondContact O-N 3.17Å; P307-M309 VanDerWaalsContact O-N 3.15Å; M309-A313 VanDerWaalsContact O-CB 3.29Å; M309-A313 WeakPolarHBondContact O-CB 3.42Å; M309-A313 PolarHBondContact O-N 2.72Å
310	G	67.9	Low	69.3	Low	46 Å²	46	96.9 Å²	96.9	47%	0.474	59%	0.589	S	S	.	*	H	α-helix	trans	-71	-38.6	176.5	0	0	0	0	0	112.8	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.33Å; P307-G310 PolarHBondContact O-N 2.78Å; I308-G310 PolarHBondContact O-N 3.32Å; G310-G314 PolarHBondContact O-N 3.33Å
311	I	74.1	Confident	69.6	Low	94 Å²	94	98.1 Å²	98.1	48%	0.482	59%	0.591	S	S	.	*	H	α-helix	trans	-68.7	-43.1	176.6	-61.9	172.4	0	0	0	110.6	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.15Å; P307-I311 PolarHBondContact O-N 2.9Å; P307-I311 VanDerWaalsContact O-N 3.13Å; I308-I311 PolarHBondContact O-N 3.32Å; I311-G314 PolarHBondContact O-N 3.21Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 WeakPolarHBondContact O-CB 3.46Å; I311-L315 WeakPolarHBondContact O-CG 3.44Å; I311-L315 PolarHBondContact O-N 2.87Å
312	V	75.9	Confident	70.5	Confident	91 Å²	91	96.3 Å²	96.3	55%	0.552	58%	0.582	S	S	*	*	H	α-helix	trans	-64.8	-44	177.4	172.3	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.3Å; I308-V312 WeakPolarHBondContact O-CB 3.33Å; I308-V312 WeakPolarHBondContact O-CG2 3.31Å; I308-V312 PolarHBondContact O-N 3.23Å; V312-L315 PolarHBondContact O-N 3.25Å; V312-A316 WeakPolarHBondContact O-CB 3.41Å; V312-A316 PolarHBondContact O-N 3.25Å
313	A	77.4	Confident	72.2	Confident	56 Å²	56	94.8 Å²	94.8	46%	0.463	57%	0.567	S	S	.	*	H	α-helix	trans	-63	-43.1	175.7	0	0	0	0	0	111.9	M309 A316 V317	M309-A313 VanDerWaalsContact O-CB 3.29Å; M309-A313 WeakPolarHBondContact O-CB 3.42Å; M309-A313 PolarHBondContact O-N 2.72Å; A313-A316 PolarHBondContact O-N 2.75Å; A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 3.02Å; A313-V317 VanDerWaalsContact O-N 3.1Å
314	G	81.9	Confident	73.9	Confident	35 Å²	35	91.9 Å²	91.9	36%	0.361	56%	0.557	S	S	.	*	H	α-helix	trans	-62.5	-43.4	177	0	0	0	0	0	113.2	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.33Å; I311-G314 PolarHBondContact O-N 3.21Å; G314-V317 PolarHBondContact O-N 3.25Å; G314-L318 PolarHBondContact O-N 3.21Å; G314-L318 VanDerWaalsContact O-N 3.09Å
315	L	85.9	Confident	75.6	Confident	104 Å²	104	88.5 Å²	88.5	55%	0.545	54%	0.541	S	S	.	.	H	α-helix	trans	-64.9	-41.1	176.1	-80	166.2	0	0	0	112.2	I311 V312 V317 L318 V319	I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 WeakPolarHBondContact O-CB 3.46Å; I311-L315 WeakPolarHBondContact O-CG 3.44Å; I311-L315 PolarHBondContact O-N 2.87Å; V312-L315 PolarHBondContact O-N 3.25Å; L315-V317 VanDerWaalsContact C-N 3.34Å; L315-V317 PolarHBondContact O-N 3.15Å; L315-L318 PolarHBondContact O-N 3.06Å; L315-V319 WeakPolarHBondContact O-CG2 3.06Å; L315-V319 PolarHBondContact O-N 3.36Å
316	A	83.4	Confident	77	Confident	54 Å²	54	84.9 Å²	84.9	45%	0.446	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-42.7	176.9	0	0	0	0	0	111.8	V312 A313 V319 V320	V312-A316 WeakPolarHBondContact O-CB 3.41Å; V312-A316 PolarHBondContact O-N 3.25Å; A313-A316 PolarHBondContact O-N 2.75Å; A316-V319 PolarHBondContact O-N 3.37Å; A316-V320 WeakPolarHBondContact O-CG2 3.23Å; A316-V320 PolarHBondContact O-N 2.88Å
317	V	86.5	Confident	78.2	Confident	86 Å²	86	83.5 Å²	83.5	52%	0.521	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-42.9	176.8	173	0	0	0	0	111.4	A313 G314 L315 V319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 3.02Å; A313-V317 VanDerWaalsContact O-N 3.1Å; G314-V317 PolarHBondContact O-N 3.25Å; L315-V317 VanDerWaalsContact C-N 3.34Å; L315-V317 PolarHBondContact O-N 3.15Å; V317-V319 PolarHBondContact O-N 3.32Å; V317-V320 PolarHBondContact O-N 2.99Å; V317-L321 HydrophobicContact CG1-CD1 3.98Å; V317-L321 HydrophobicContact CG1-CG 4.42Å; V317-L321 WeakPolarHBondContact O-CG 3.37Å; V317-L321 PolarHBondContact O-N 2.87Å
318	L	85.9	Confident	79.3	Confident	114 Å²	114	83 Å²	83	60%	0.597	52%	0.517	S	S	*	.	H	α-helix	trans	-61.4	-41.8	177	-85.1	164.9	0	0	0	112.6	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.21Å; G314-L318 VanDerWaalsContact O-N 3.09Å; L315-L318 PolarHBondContact O-N 3.06Å; L318-L321 PolarHBondContact O-N 2.99Å; L318-A322 WeakPolarHBondContact O-CB 3.49Å; L318-A322 PolarHBondContact O-N 3.07Å
319	V	86.1	Confident	80	Confident	93 Å²	93	81.4 Å²	81.4	56%	0.564	51%	0.512	S	S	*	.	H	α-helix	trans	-63.6	-44.5	176.4	172.2	0	0	0	0	110.8	L315 A316 V317 L321 A322 V323	L315-V319 WeakPolarHBondContact O-CG2 3.06Å; L315-V319 PolarHBondContact O-N 3.36Å; A316-V319 PolarHBondContact O-N 3.37Å; V317-V319 PolarHBondContact O-N 3.32Å; V319-L321 PolarHBondContact O-N 3.28Å; V319-A322 PolarHBondContact O-N 2.94Å; V319-V323 WeakPolarHBondContact O-CG2 3.42Å; V319-V323 PolarHBondContact O-N 3.09Å
320	V	85.8	Confident	80.6	Confident	87 Å²	87	76.2 Å²	76.2	53%	0.527	50%	0.496	S	S	.	.	H	α-helix	trans	-61.1	-44.6	177.4	171.4	0	0	0	0	111.1	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.23Å; A316-V320 PolarHBondContact O-N 2.88Å; V317-V320 PolarHBondContact O-N 2.99Å; V320-A322 PolarHBondContact O-N 3.44Å; V320-V323 PolarHBondContact O-N 3.25Å; V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.45Å; V320-L324 WeakPolarHBondContact O-CG 3.47Å; V320-L324 PolarHBondContact O-N 3.02Å
321	L	85.8	Confident	80.8	Confident	104 Å²	104	79.9 Å²	79.9	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-63.8	-39.7	177.5	-72.1	171.9	0	0	0	112.3	V317 L318 V319 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.98Å; V317-L321 HydrophobicContact CG1-CG 4.42Å; V317-L321 WeakPolarHBondContact O-CG 3.37Å; V317-L321 PolarHBondContact O-N 2.87Å; L318-L321 PolarHBondContact O-N 2.99Å; V319-L321 PolarHBondContact O-N 3.28Å; L321-L324 PolarHBondContact O-N 3.43Å; L321-G325 PolarHBondContact O-N 3.3Å
322	A	84.1	Confident	80.6	Confident	66 Å²	66	81.8 Å²	81.8	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-42.2	176.8	0	0	0	0	0	111.9	L318 V319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.49Å; L318-A322 PolarHBondContact O-N 3.07Å; V319-A322 PolarHBondContact O-N 2.94Å; V320-A322 PolarHBondContact O-N 3.44Å; A322-G325 PolarHBondContact O-N 3.48Å; A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 2.66Å
323	V	84	Confident	80.1	Confident	83 Å²	83	81.3 Å²	81.3	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-45.5	176.4	172.8	0	0	0	0	110.8	V319 V320 G325 A326 V327	V319-V323 WeakPolarHBondContact O-CG2 3.42Å; V319-V323 PolarHBondContact O-N 3.09Å; V320-V323 PolarHBondContact O-N 3.25Å; V323-G325 PolarHBondContact O-N 2.83Å; V323-A326 PolarHBondContact O-N 3.15Å; V323-V327 HydrophobicContact CG1-CG2 4.47Å; V323-V327 VanDerWaalsContact O-CG2 3.32Å; V323-V327 WeakPolarHBondContact O-CG2 3.23Å; V323-V327 PolarHBondContact O-N 2.75Å
324	L	81.6	Confident	79.3	Confident	101 Å²	101	88.3 Å²	88.3	53%	0.529	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-43.7	176.6	-71.9	171.3	0	0	0	111.7	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.45Å; V320-L324 WeakPolarHBondContact O-CG 3.47Å; V320-L324 PolarHBondContact O-N 3.02Å; L321-L324 PolarHBondContact O-N 3.43Å; L324-A326 PolarHBondContact O-N 2.62Å; L324-V327 PolarHBondContact O-N 3.39Å; L324-V328 WeakPolarHBondContact O-CG2 3.16Å; L324-V328 PolarHBondContact O-N 3.16Å
325	G	81.3	Confident	78.2	Confident	35 Å²	35	97.3 Å²	97.3	36%	0.361	55%	0.547	S	S	.	.	H	α-helix	trans	-59.5	-43.3	174.5	0	0	0	0	0	112.6	L321 A322 V323 V328 T329	L321-G325 PolarHBondContact O-N 3.3Å; A322-G325 PolarHBondContact O-N 3.48Å; V323-G325 PolarHBondContact O-N 2.83Å; G325-V328 PolarHBondContact O-N 3.03Å; G325-T329 WeakPolarHBondContact O-CB 3.39Å; G325-T329 PolarHBondContact O-N 3.22Å; G325-T329 PolarHBondContact O-OG1 3.27Å
326	A	79.9	Confident	76.6	Confident	61 Å²	61	101.5 Å²	101.5	50%	0.504	56%	0.562	S	S	.	*	H	α-helix	trans	-64.6	-41.8	176.9	0	0	0	0	0	112.3	A322 V323 L324 T329 A330	A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 2.66Å; V323-A326 PolarHBondContact O-N 3.15Å; L324-A326 PolarHBondContact O-N 2.62Å; A326-T329 PolarHBondContact O-N 2.86Å; A326-A330 WeakPolarHBondContact O-CB 3.37Å; A326-A330 PolarHBondContact O-N 2.6Å
327	V	79.8	Confident	75.2	Confident	75 Å²	75	103.6 Å²	103.6	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-64.7	-45.5	177.5	171.7	0	0	0	0	111.2	V323 L324 T329 A330 M331	V323-V327 HydrophobicContact CG1-CG2 4.47Å; V323-V327 VanDerWaalsContact O-CG2 3.32Å; V323-V327 WeakPolarHBondContact O-CG2 3.23Å; V323-V327 PolarHBondContact O-N 2.75Å; L324-V327 PolarHBondContact O-N 3.39Å; V327-T329 VanDerWaalsContact C-N 3.33Å; V327-T329 PolarHBondContact O-N 3.2Å; V327-A330 PolarHBondContact O-N 3.04Å; V327-M331 HydrophobicContact CG1-CG 4.46Å; V327-M331 WeakPolarHBondContact O-CB 3.39Å; V327-M331 WeakPolarHBondContact O-CG 3.28Å; V327-M331 PolarHBondContact O-N 3.2Å
328	V	78.9	Confident	73.4	Confident	77 Å²	77	107.3 Å²	107.3	47%	0.467	60%	0.602	S	S	.	*	H	α-helix	trans	-60.7	-45	176.8	171.5	0	0	0	0	110.6	L324 G325 A330 M331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.16Å; L324-V328 PolarHBondContact O-N 3.16Å; G325-V328 PolarHBondContact O-N 3.03Å; V328-A330 PolarHBondContact O-N 2.74Å; V328-M331 PolarHBondContact O-N 3.2Å; V328-M332 HydrophobicContact CG1-CG 4.48Å; V328-M332 HydrophobicContact CG1-SD 4.21Å; V328-M332 WeakPolarHBondContact O-CG 3.31Å; V328-M332 PolarHBondContact O-N 2.73Å
329	T	73.8	Confident	72.8	Confident	84 Å²	84	107 Å²	107	52%	0.515	60%	0.603	S	S	.	*	H	α-helix	trans	-61.9	-45.2	177.7	-49.8	0	0	0	0	111.2	G325 A326 V327 M331 M332 C333	G325-T329 WeakPolarHBondContact O-CB 3.39Å; G325-T329 PolarHBondContact O-N 3.22Å; G325-T329 PolarHBondContact O-OG1 3.27Å; A326-T329 PolarHBondContact O-N 2.86Å; V327-T329 VanDerWaalsContact C-N 3.33Å; V327-T329 PolarHBondContact O-N 3.2Å; T329-M331 PolarHBondContact O-N 3.39Å; T329-M332 PolarHBondContact O-N 3.04Å; T329-C333 WeakPolarHBondContact O-CB 3.2Å; T329-C333 PolarHBondContact O-N 3.31Å; T329-C333 PolarHBondContact O-SG 3.06Å; T329-C333 VanDerWaalsContact O-SG 3.41Å
330	A	73.1	Confident	72.1	Confident	55 Å²	55	107.7 Å²	107.7	46%	0.455	61%	0.605	S	S	.	*	H	α-helix	trans	-63.7	-38.9	177	0	0	0	0	0	112.6	A326 V327 V328 C333 R334	A326-A330 WeakPolarHBondContact O-CB 3.37Å; A326-A330 PolarHBondContact O-N 2.6Å; V327-A330 PolarHBondContact O-N 3.04Å; V328-A330 PolarHBondContact O-N 2.74Å; A330-C333 PolarHBondContact O-N 2.95Å; A330-R334 WeakPolarHBondContact O-CB 3.47Å; A330-R334 PolarHBondContact O-N 2.71Å
331	M	71.1	Confident	71.3	Confident	122 Å²	122	108.8 Å²	108.8	60%	0.601	61%	0.609	S	S	*	*	H	α-helix	trans	-67.4	-40.8	175.2	-73	-145.3	-64.2	0	0	112.2	V327 V328 T329 R334 R335	V327-M331 HydrophobicContact CG1-CG 4.46Å; V327-M331 WeakPolarHBondContact O-CB 3.39Å; V327-M331 WeakPolarHBondContact O-CG 3.28Å; V327-M331 PolarHBondContact O-N 3.2Å; V328-M331 PolarHBondContact O-N 3.2Å; T329-M331 PolarHBondContact O-N 3.39Å; M331-R334 PolarHBondContact O-N 3.43Å; M331-R335 WeakPolarHBondContact O-CB 3.21Å; M331-R335 PolarHBondContact O-N 3.3Å
332	M	70.8	Confident	70.4	Confident	134 Å²	134	109.1 Å²	109.1	66%	0.66	61%	0.613	S	S	*	*	H	α-helix	trans	-65.4	-38.8	175.2	-71.5	-174.4	77.5	0	0	112	V328 T329 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.48Å; V328-M332 HydrophobicContact CG1-SD 4.21Å; V328-M332 WeakPolarHBondContact O-CG 3.31Å; V328-M332 PolarHBondContact O-N 2.73Å; T329-M332 PolarHBondContact O-N 3.04Å; M332-R335 PolarHBondContact O-N 3.3Å; M332-K336 PolarHBondContact O-N 3.31Å
333	C	64.3	Low	69.6	Low	81 Å²	81	111.8 Å²	111.8	55%	0.547	62%	0.617	S	S	.	*	H	α-helix	trans	-63.2	-44.7	172.4	-74	0	0	0	0	111.7	T329 A330 R335 K336 S337	T329-C333 WeakPolarHBondContact O-CB 3.2Å; T329-C333 PolarHBondContact O-N 3.31Å; T329-C333 PolarHBondContact O-SG 3.06Å; T329-C333 VanDerWaalsContact O-SG 3.41Å; A330-C333 PolarHBondContact O-N 2.95Å; C333-R335 VanDerWaalsContact C-N 3.34Å; C333-R335 PolarHBondContact O-N 2.94Å; C333-K336 PolarHBondContact O-N 3.09Å; C333-S337 PolarHBondContact O-N 3.39Å; C333-S337 PolarHBondContact O-OG 2.9Å; C333-S337 VanDerWaalsContact O-OG 3.09Å
334	R	61	Low	68.6	Low	204 Å²	204	113.7 Å²	113.7	77%	0.77	63%	0.625	S	S	*	*	H	α-helix	trans	-63.6	-35.8	176.7	-84.6	-172	167.5	-179.6	-2.3	113.5	A330 M331 K336 S337	A330-R334 WeakPolarHBondContact O-CB 3.47Å; A330-R334 PolarHBondContact O-N 2.71Å; M331-R334 PolarHBondContact O-N 3.43Å; R334-K336 PolarHBondContact O-N 3.15Å; R334-S337 WeakPolarHBondContact CA-OG 3.41Å; R334-S337 PolarHBondContact O-N 2.88Å; R334-S337 PolarHBondContact O-OG 3.17Å; R334-S337 VanDerWaalsContact O-OG 3.13Å
335	R	58	Low	67.7	Low	223 Å²	223	114.6 Å²	114.6	84%	0.842	63%	0.631	S	S	*	*	H	α-helix	trans	-72.8	-17.5	178.4	-137.5	178.4	-174.1	179.4	1	113.3	M331 M332 C333	M331-R335 WeakPolarHBondContact O-CB 3.21Å; M331-R335 PolarHBondContact O-N 3.3Å; M332-R335 PolarHBondContact O-N 3.3Å; C333-R335 VanDerWaalsContact C-N 3.34Å; C333-R335 PolarHBondContact O-N 2.94Å
336	K	53.8	Low	66.7	Low	193 Å²	193	120.8 Å²	120.8	84%	0.839	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-7.6	178.2	-145.5	174.6	-173.9	-179.7	0	112.9	M332 C333 R334	M332-K336 PolarHBondContact O-N 3.31Å; C333-K336 PolarHBondContact O-N 3.09Å; R334-K336 PolarHBondContact O-N 3.15Å
337	S	52.9	Low	65.6	Low	97 Å²	97	125.8 Å²	125.8	68%	0.678	67%	0.665	S	S	*	*			trans	-114.5	14.4	-179.3	54.3	0	0	0	0	113.7	C333 R334	C333-S337 PolarHBondContact O-N 3.39Å; C333-S337 PolarHBondContact O-OG 2.9Å; C333-S337 VanDerWaalsContact O-OG 3.09Å; R334-S337 WeakPolarHBondContact CA-OG 3.41Å; R334-S337 PolarHBondContact O-N 2.88Å; R334-S337 PolarHBondContact O-OG 3.17Å; R334-S337 VanDerWaalsContact O-OG 3.13Å
338	S	49.2	Very low	64.3	Low	164 Å²	164	130.4 Å²	130.4	100%	1.147	68%	0.684	S	S	*	*			trans	-120.7	0	168	-177.6	0	0	0	0	109.7

Retrieved 338 of 338 residues in 58.6 ms (Link to these results)

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