A0A090KM56_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KM56, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 362 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	38.9	Very low	37.6	Very low	247 Å²	247	159.9 Å²	159.9	100%	1.217	85%	0.845	S	S	*	*				0	111.4	0	-80.9	163.4	174.6	0	0	108.1
2	R	32.5	Very low	38	Very low	241 Å²	241	160.8 Å²	160.8	91%	0.909	85%	0.849	S	S	*	*			trans	-78.3	129.1	168.6	-79	174.3	170	163.1	-3.8	107.5
3	V	31.3	Very low	38.1	Very low	140 Å²	140	158.1 Å²	158.1	85%	0.848	83%	0.834	S	S	*	*			trans	-134.1	99.5	151	-179.4	0	0	0	0	106.6
4	T	36.3	Very low	38.3	Very low	132 Å²	132	160.8 Å²	160.8	81%	0.81	83%	0.828	S	S	*	*			trans	-71.9	126.8	163.6	37.9	0	0	0	0	108.7
5	A	31.8	Very low	38.2	Very low	90 Å²	90	156.2 Å²	156.2	74%	0.744	84%	0.836	S	S	*	*			trans	-116.1	149.2	163.6	0	0	0	0	0	108.9
6	P	36.5	Very low	38.4	Very low	114 Å²	114	151.9 Å²	151.9	74%	0.74	83%	0.828	S	S	*	*			trans	-87.7	150.7	-142.3	33	-33.4	0	0	0	113.8	T8	P6-T8 PolarHBondContact O-N 3.18Å; P6-T8 VanDerWaalsContact O-N 3.09Å
7	R	45.7	Very low	38.7	Very low	242 Å²	242	147.6 Å²	147.6	91%	0.913	81%	0.808	S	S	*	*			trans	-52.6	105.2	164.1	-78.3	173.5	151.4	121.6	-6	110.4
8	T	38.9	Very low	38.6	Very low	130 Å²	130	144.1 Å²	144.1	80%	0.798	80%	0.802	S	S	*	*			trans	-96.8	99.1	156	28.2	0	0	0	0	108	P6 L10	P6-T8 PolarHBondContact O-N 3.18Å; P6-T8 VanDerWaalsContact O-N 3.09Å; T8-L10 PolarHBondContact O-N 2.7Å; T8-L10 VanDerWaalsContact O-N 3.16Å
9	V	40.2	Very low	38.5	Very low	122 Å²	122	143.1 Å²	143.1	74%	0.739	79%	0.794	S	S	*	*			trans	-55	110.5	164.9	171.6	0	0	0	0	107.2	L11	V9-L11 PolarHBondContact O-N 3.17Å
10	L	38.8	Very low	38.5	Very low	169 Å²	169	140.4 Å²	140.4	89%	0.885	78%	0.782	S	S	*	*			trans	-70.6	114	171.5	-150.1	84.6	0	0	0	107.1	T8 L12	T8-L10 PolarHBondContact O-N 2.7Å; T8-L10 VanDerWaalsContact O-N 3.16Å; L10-L12 PolarHBondContact O-N 2.88Å
11	L	42.3	Very low	38.4	Very low	132 Å²	132	142 Å²	142	69%	0.691	78%	0.783	S	S	*	*			trans	-58.4	110.7	-178.3	-74.1	153.6	0	0	0	110.8	V9 L13	V9-L11 PolarHBondContact O-N 3.17Å; L11-L13 HydrophobicContact CB-CD1 3.91Å; L11-L13 HydrophobicContact CB-CG 4.03Å; L11-L13 HydrophobicContact CD1-CD1 4.12Å; L11-L13 HydrophobicContact CD2-CD1 4.07Å; L11-L13 HydrophobicContact CD2-CG 4.28Å; L11-L13 HydrophobicContact CG-CD1 4.25Å; L11-L13 PolarHBondContact O-N 2.66Å
12	L	42.6	Very low	38.7	Very low	170 Å²	170	134.4 Å²	134.4	89%	0.89	75%	0.751	S	S	*	*			trans	-68.7	85.3	153.2	-77	165.8	0	0	0	107.7	L10	L10-L12 PolarHBondContact O-N 2.88Å
13	L	39.9	Very low	39.5	Very low	126 Å²	126	128 Å²	128	66%	0.66	73%	0.727	S	S	*	*			trans	-104.7	90.9	169.9	-79.7	167.1	0	0	0	109.4	L11	L11-L13 HydrophobicContact CB-CD1 3.91Å; L11-L13 HydrophobicContact CB-CG 4.03Å; L11-L13 HydrophobicContact CD1-CD1 4.12Å; L11-L13 HydrophobicContact CD2-CD1 4.07Å; L11-L13 HydrophobicContact CD2-CG 4.28Å; L11-L13 HydrophobicContact CG-CD1 4.25Å; L11-L13 PolarHBondContact O-N 2.66Å
14	W	39.9	Very low	40.7	Very low	196 Å²	196	124.5 Å²	124.5	74%	0.742	71%	0.713	S	S	*	*				56.7	70.8	127.3	-69.6	36.5	0	0	0	116.4	A16 V17	W14-A16 PolarHBondContact O-N 3.06Å; W14-V17 HydrophobicContact CD2-CG2 4.43Å; W14-V17 HydrophobicContact CE3-CB 4.16Å; W14-V17 HydrophobicContact CE3-CG2 3.47Å; W14-V17 VanDerWaalsContact CE3-CG2 3.47Å; W14-V17 HydrophobicContact CZ3-CG2 3.81Å
15	G	37.8	Very low	42.6	Very low	92 Å²	92	119.5 Å²	119.5	95%	0.948	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	23.9	164	0	0	0	0	0	114.9
16	A	40.9	Very low	45.4	Very low	87 Å²	87	117.6 Å²	117.6	72%	0.719	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	9.5	-173	0	0	0	0	0	115.4	W14	W14-A16 PolarHBondContact O-N 3.06Å
17	V	43.2	Very low	48.3	Very low	79 Å²	79	113.8 Å²	113.8	48%	0.479	64%	0.641	S	S	.	*	S	Bend	trans	-122.9	7.7	-176.9	-173.2	0	0	0	0	113.6	W14	W14-V17 HydrophobicContact CD2-CG2 4.43Å; W14-V17 HydrophobicContact CE3-CB 4.16Å; W14-V17 HydrophobicContact CE3-CG2 3.47Å; W14-V17 VanDerWaalsContact CE3-CG2 3.47Å; W14-V17 HydrophobicContact CZ3-CG2 3.81Å
18	A	36.8	Very low	50.8	Low	85 Å²	85	102.9 Å²	102.9	70%	0.702	60%	0.602	S	S	*	*	S	Bend	trans	-99.5	-2.1	-179.6	0	0	0	0	0	115.5
19	L	37.7	Very low	53.6	Low	125 Å²	125	96.7 Å²	96.7	65%	0.654	56%	0.564	S	S	*	*	S	Bend	trans	-108.6	-10.2	-175.7	-86.6	154.5	0	0	0	114.5	W23	L19-W23 VanDerWaalsContact O-CD1 3.29Å
20	T	36.9	Very low	56.4	Low	89 Å²	89	94.4 Å²	94.4	55%	0.546	54%	0.542	S	S	.	.	S	Bend	trans	-88.2	-20.5	179.9	52.7	0	0	0	0	113.5
21	E	38.1	Very low	59.3	Low	173 Å²	173	86.7 Å²	86.7	81%	0.808	50%	0.501	S	S	*	.	S	Bend	trans	-89.1	-12.1	-175.1	-82	-166.8	157.4	0	0	114.9
22	T	44.4	Very low	62	Low	89 Å²	89	84.3 Å²	84.3	55%	0.546	49%	0.486	S	S	.	.	S	Bend	trans	-88.1	-10.3	-172.1	52.5	0	0	0	0	115.3
23	W	48.3	Very low	64.6	Low	105 Å²	105	76.7 Å²	76.7	40%	0.398	45%	0.445	S	S	.	.	S	Bend	trans	-102.5	-28.5	-166.4	-64.8	85.8	0	0	0	114.6	L19 G25 E236	L19-W23 VanDerWaalsContact O-CD1 3.29Å; W23-G25 PolarHBondContact O-N 3.34Å; W23-E236 HydrophobicContact CE3-CB 4.14Å; W23-E236 HydrophobicContact CE3-CG 3.91Å; W23-E236 HydrophobicContact CH2-CB 4.08Å; W23-E236 HydrophobicContact CH2-CG 3.22Å; W23-E236 WeakPolarHBondContact CH2-OE1 3.34Å; W23-E236 HydrophobicContact CZ2-CG 3.98Å; W23-E236 HydrophobicContact CZ3-CB 3.53Å; W23-E236 HydrophobicContact CZ3-CG 3.19Å
24	A	57.3	Low	67.4	Low	68 Å²	68	72.3 Å²	72.3	56%	0.562	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	106.6	-176	0	0	0	0	0	110.8
25	G	76.4	Confident	70.2	Confident	27 Å²	27	63 Å²	63	28%	0.278	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	10.4	165.7	0	0	0	0	0	117.2	W23 P129	W23-G25 PolarHBondContact O-N 3.34Å; G25-P129 WeakPolarHBondContact O-CA 3.47Å
26	S	91.6	Very high	73.1	Confident	50 Å²	50	61.5 Å²	61.5	35%	0.35	36%	0.357	S	S	.	.			trans	-81.6	142.8	164.8	62.8	0	0	0	0	110.7	L127	S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.42Å; S26-L127 WeakPolarHBondContact CB-O 3.36Å
27	H	96.3	Very high	75.8	Confident	33 Å²	33	58.4 Å²	58.4	15%	0.153	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.9	-179.8	-67.6	-75.9	0	0	0	111.2	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.1Å; H27-D53 IonicContact CE1-OD2 2.8Å; H27-D53 IonicContact CG-OD2 3.92Å; H27-D53 IonicContact ND1-OD1 2.82Å; H27-D53 IonicContact ND1-OD2 3.8Å; H27-D53 PolarHBondContact ND1-OD2 3.39Å; H27-D126 CarbonylContact O-C 3.48Å; H27-D126 WeakPolarHBondContact O-CA 3.36Å; H27-L127 PolarHBondContact N-O 3.17Å; H27-L127 VanDerWaalsContact N-O 3.08Å; H27-L127 PolarHBondContact O-N 3.3Å; H27-L192 HydrophobicContact CB-CD1 4.49Å; H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å
28	S	97.9	Very high	78.3	Confident	13 Å²	13	58.5 Å²	58.5	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.7	178.7	63.3	0	0	0	0	112	R30 V52 D53 C125 D126	S28-R30 PolarHBondContact OG-NH1 2.94Å; S28-V52 CarbonylContact O-C 3.47Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.19Å; S28-D53 PolarHBondContact N-OD1 3.48Å; S28-D53 PolarHBondContact O-N 2.88Å; S28-C125 WeakPolarHBondContact CA-O 3.3Å; S28-D126 WeakPolarHBondContact CB-OD1 3.4Å
29	M	98.6	Very high	80.8	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.6	167.5	-175	170.2	63.7	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.29Å; M29-Y31 HydrophobicContact CG-CE2 4.18Å; M29-Y31 HydrophobicContact SD-CE2 4.11Å; M29-Y51 CarbonylContact C-O 3.6Å; M29-Y51 WeakPolarHBondContact CA-O 3.34Å; M29-V52 HydrophobicContact CG-CG2 4.39Å; M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.5Å; M29-C125 PolarHBondContact N-O 3.4Å; M29-C125 PolarHBondContact O-N 2.85Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 VanDerWaalsContact CE-O 3.28Å; M29-C188 WeakPolarHBondContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-SG 3.01Å; M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.41Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.4Å; M29-L192 HydrophobicContact SD-CB 4.45Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30	R	98.7	Very high	83.3	Confident	73 Å²	73	55.2 Å²	55.2	28%	0.275	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.4	-179.3	-62.1	-163.8	-177.6	100.4	8.1	112	S28 F32 G50 Y51 M122 Y123 D126	S28-R30 PolarHBondContact OG-NH1 2.94Å; R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.63Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; R30-G50 CarbonylContact O-C 3.48Å; R30-G50 WeakPolarHBondContact O-CA 3.43Å; R30-Y51 PolarHBondContact N-O 3.23Å; R30-Y51 PolarHBondContact O-N 3.01Å; R30-M122 HydrophobicContact CG-SD 4.27Å; R30-Y123 WeakPolarHBondContact CA-O 3.37Å; R30-D126 IonicContact CZ-OD1 3.2Å; R30-D126 IonicContact NE-OD1 3.69Å; R30-D126 IonicContact NH2-OD1 3.79Å; R30-D126 PolarHBondContact NH2-OD1 3.5Å; R30-D126 IonicContact NH2-OD2 3.52Å
31	Y	98.8	Very high	85.9	Confident	8 Å²	8	60.8 Å²	60.8	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.2	169.3	-72	-93.5	0	0	0	109.5	M29 Y33 V49 F57 V58 M91 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.29Å; M29-Y31 HydrophobicContact CG-CE2 4.18Å; M29-Y31 HydrophobicContact SD-CE2 4.11Å; Y31-Y33 HydrophobicContact CD1-CE1 4.28Å; Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.32Å; Y31-F57 HydrophobicContact CE1-CZ 4.14Å; Y31-F57 HydrophobicContact CE2-CZ 4.35Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.19Å; Y31-V58 HydrophobicContact CE1-CG2 3.93Å; Y31-M91 HydrophobicContact CD1-CE 4.31Å; Y31-M91 HydrophobicContact CE1-CE 4.2Å; Y31-M122 WeakPolarHBondContact O-CA 3.4Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.44Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 AromaticContact CD2-CE2 3.82Å; Y31-Y123 HydrophobicContact CD2-CE2 3.82Å; Y31-Y123 AromaticContact CD2-CZ 3.8Å; Y31-Y123 HydrophobicContact CG-CE1 4.22Å; Y31-Y123 HydrophobicContact CG-CE2 4.21Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 3.46Å; Y31-Y123 PolarHBondContact O-N 2.94Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å
32	F	98.9	Very high	88.4	Confident	82 Å²	82	55.3 Å²	55.3	36%	0.36	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.3	177.1	-58.3	-94.4	0	0	0	109.1	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.63Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; F32-A48 WeakPolarHBondContact O-CA 3.35Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.2Å; F32-V49 PolarHBondContact O-N 3.05Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.18Å; F32-R121 WeakPolarHBondContact CA-O 3.41Å; F32-M122 HydrophobicContact CD1-CB 3.96Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.04Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CZ-CG 3.93Å
33	Y	98.8	Very high	90.7	Very high	10 Å²	10	55.7 Å²	55.7	4%	0.039	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.4	177.8	-65.6	-1.5	0	0	0	109.2	Y31 F46 I47 A48 M91 Y98 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.28Å; Y33-F46 HydrophobicContact CD1-CZ 4.29Å; Y33-F46 HydrophobicContact CD2-CE2 4.14Å; Y33-F46 AromaticContact CD2-CZ 3.8Å; Y33-F46 HydrophobicContact CD2-CZ 3.8Å; Y33-F46 HydrophobicContact CE2-CZ 4.23Å; Y33-F46 HydrophobicContact CG-CE2 4.13Å; Y33-F46 AromaticContact CG-CZ 3.81Å; Y33-F46 HydrophobicContact CG-CZ 3.81Å; Y33-I47 CarbonylContact C-O 3.55Å; Y33-I47 WeakPolarHBondContact CA-O 3.33Å; Y33-A48 HydrophobicContact CD1-CB 3.38Å; Y33-A48 HydrophobicContact CE1-CB 3.54Å; Y33-A48 HydrophobicContact CG-CB 4.29Å; Y33-M91 HydrophobicContact CE1-CE 4.07Å; Y33-M91 HydrophobicContact CE1-SD 3.88Å; Y33-M91 WeakPolarHBondContact OH-CE 3.3Å; Y33-Y98 AromaticContact CD2-CE2 3.71Å; Y33-Y98 HydrophobicContact CD2-CE2 3.71Å; Y33-Q120 CarbonylContact O-C 3.53Å; Y33-Q120 VanDerWaalsContact O-CA 3.25Å; Y33-Q120 WeakPolarHBondContact O-CA 3.11Å; Y33-R121 PolarHBondContact N-O 2.96Å; Y33-R121 PolarHBondContact O-N 3.01Å; Y33-Y123 HydrophobicContact CD1-CE1 4.45Å; Y33-Y123 HydrophobicContact CD2-CE1 4.3Å; Y33-Y123 AromaticContact CE1-CE1 3.88Å; Y33-Y123 HydrophobicContact CE1-CE1 3.88Å; Y33-Y123 AromaticContact CE2-CE1 3.77Å; Y33-Y123 HydrophobicContact CE2-CE1 3.77Å; Y33-Y123 AromaticContact CZ-CE1 3.53Å; Y33-Y123 AromaticContact CZ-CZ 3.96Å; Y33-Y123 PolarHBondContact OH-OH 3.05Å
34	T	98.8	Very high	93	Very high	33 Å²	33	52.1 Å²	52.1	20%	0.202	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	119.6	176.5	-60.3	0	0	0	0	109.4	M36 F46 I47 I118 Q120	T34-M36 HydrophobicContact CG2-CE 4.11Å; T34-M36 HydrophobicContact CG2-CG 3.99Å; T34-M36 HydrophobicContact CG2-SD 4.18Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; T34-I47 PolarHBondContact N-O 2.95Å; T34-I47 PolarHBondContact O-N 3.22Å; T34-I118 HydrophobicContact CG2-CD1 3.65Å; T34-I118 HydrophobicContact CG2-CG1 3.92Å; T34-Q120 HydrophobicContact CG2-CG 4.25Å
35	A	98.6	Very high	95	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.9	174.9	0	0	0	0	0	109.8	R45 F46 Y98 L102 I118 I119	A35-R45 CarbonylContact C-O 3.6Å; A35-R45 WeakPolarHBondContact CA-O 3.32Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; A35-Y98 HydrophobicContact CB-CD1 3.91Å; A35-Y98 HydrophobicContact CB-CG 3.9Å; A35-L102 HydrophobicContact CB-CD1 4.18Å; A35-I118 CarbonylContact O-C 3.59Å; A35-I118 WeakPolarHBondContact O-CA 3.21Å; A35-I119 PolarHBondContact N-O 3.4Å; A35-I119 PolarHBondContact O-N 3.19Å
36	M	98.3	Very high	96	Very high	60 Å²	60	51.7 Å²	51.7	30%	0.296	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.9	-176	-65.7	163	-74.9	0	0	109.8	T34 P44 R45 I47 H117 I118	T34-M36 HydrophobicContact CG2-CE 4.11Å; T34-M36 HydrophobicContact CG2-CG 3.99Å; T34-M36 HydrophobicContact CG2-SD 4.18Å; M36-P44 CarbonylContact O-C 3.58Å; M36-P44 WeakPolarHBondContact O-CA 3.46Å; M36-P44 WeakPolarHBondContact O-CB 3.49Å; M36-R45 HydrophobicContact CE-CB 4.34Å; M36-R45 HydrophobicContact CE-CG 4.33Å; M36-R45 PolarHBondContact N-O 2.94Å; M36-R45 PolarHBondContact O-N 3.38Å; M36-I47 HydrophobicContact CE-CD1 3.87Å; M36-I47 HydrophobicContact CE-CG1 4.3Å; M36-H117 WeakPolarHBondContact CA-O 3.4Å; M36-I118 HydrophobicContact CG-CB 4.43Å; M36-I118 HydrophobicContact CG-CD1 3.9Å; M36-I118 HydrophobicContact CG-CG1 3.87Å
37	S	97.4	Very high	96.4	Very high	23 Å²	23	51 Å²	51	16%	0.161	27%	0.272	C	S	.	.			trans	-70.1	146.9	171	76.3	0	0	0	0	110.4	H117	S37-H117 PolarHBondContact N-O 2.86Å; S37-H117 PolarHBondContact OG-N 3.38Å; S37-H117 PolarHBondContact OG-O 2.89Å
38	R	95.1	Very high	96.5	Very high	80 Å²	80	49.5 Å²	49.5	30%	0.302	27%	0.266	S	S	.	.			trans	-137.5	74.1	178.8	54.9	173.1	176.4	-158.4	-12.5	110.6	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.46Å; R38-R41 HydrophobicContact CB-CB 4.07Å; R38-R41 VanDerWaalsContact CD-O 3.3Å; R38-R41 WeakPolarHBondContact CD-O 3.41Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.38Å; R38-R41 VanDerWaalsContact NE-O 3.12Å; R38-R41 PolarHBondContact O-N 3.44Å; R38-E43 VanDerWaalsContact CZ-O 3.23Å; R38-E43 PolarHBondContact NE-O 3.46Å; R38-E43 PolarHBondContact NH2-O 3Å; R38-D63 IonicContact CZ-OD1 3.64Å; R38-D63 IonicContact CZ-OD2 3.5Å; R38-D63 IonicContact NH1-OD1 2.69Å; R38-D63 PolarHBondContact NH1-OD1 2.93Å; R38-D63 IonicContact NH1-OD2 3.02Å; R38-D63 PolarHBondContact NH1-OD2 3.48Å; R38-D63 IonicContact NH2-OD1 2.82Å; R38-D63 PolarHBondContact NH2-OD1 3.47Å; R38-D63 IonicContact NH2-OD2 3.63Å
39	P	90.6	Very high	96.5	Very high	51 Å²	51	50.2 Å²	50.2	33%	0.331	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	129.8	-176.5	-27	34.2	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.88Å; P39-E113 WeakPolarHBondContact CB-O 3.34Å; P39-E113 VanDerWaalsContact CG-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.29Å; P39-G115 WeakPolarHBondContact CG-O 3.41Å
40	G	89.1	Confident	96.5	Very high	90 Å²	90	50.2 Å²	50.2	93%	0.928	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	3.2	-178.2	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 3.46Å
41	R	91.7	Very high	96.5	Very high	207 Å²	207	50 Å²	50	78%	0.781	27%	0.269	S	S	*	.	S	Bend	trans	-122.6	21.8	-179.6	-59.2	-175.3	-179.9	-177.3	0.2	113.6	R38 P39	R38-R41 HydrophobicContact CB-CB 4.07Å; R38-R41 VanDerWaalsContact CD-O 3.3Å; R38-R41 WeakPolarHBondContact CD-O 3.41Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.38Å; R38-R41 VanDerWaalsContact NE-O 3.12Å; R38-R41 PolarHBondContact O-N 3.44Å; P39-R41 PolarHBondContact O-N 2.88Å
42	G	90.4	Very high	96.5	Very high	58 Å²	58	49.6 Å²	49.6	60%	0.598	27%	0.267	S	S	*	.	S	Bend	trans	98.4	-162.3	177.8	0	0	0	0	0	113.9
43	E	93.8	Very high	96.4	Very high	97 Å²	97	47.1 Å²	47.1	45%	0.453	26%	0.258	S	S	.	.	S	Bend	trans	-67.4	152	-178.6	-66.6	-63.9	161.3	0	0	112.2	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.23Å; R38-E43 PolarHBondContact NE-O 3.46Å; R38-E43 PolarHBondContact NH2-O 3Å; E43-R45 PolarHBondContact O-N 3.48Å; E43-R99 IonicContact OE1-NH1 3.78Å; E43-R99 PolarHBondContact OE1-NH1 2.72Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 2.77Å; E43-R99 IonicContact OE2-NE 3.6Å; E43-R99 IonicContact OE2-NH1 3.91Å; E43-R99 PolarHBondContact OE2-NH1 2.7Å
44	P	96.8	Very high	96.3	Very high	30 Å²	30	49.7 Å²	49.7	20%	0.195	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-52.1	137	174.6	-26.1	35.2	0	0	0	112.4	M36 R99 L102	M36-P44 CarbonylContact O-C 3.58Å; M36-P44 WeakPolarHBondContact O-CA 3.46Å; M36-P44 WeakPolarHBondContact O-CB 3.49Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.29Å; P44-L102 HydrophobicContact CB-CD1 3.57Å; P44-L102 HydrophobicContact CG-CD1 3.71Å
45	R	98.1	Very high	96.2	Very high	82 Å²	82	48.8 Å²	48.8	31%	0.309	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.6	173.7	-175.9	-179.5	-176.8	-178.2	-0.4	109.1	A35 M36 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.6Å; A35-R45 WeakPolarHBondContact CA-O 3.32Å; M36-R45 HydrophobicContact CE-CB 4.34Å; M36-R45 HydrophobicContact CE-CG 4.33Å; M36-R45 PolarHBondContact N-O 2.94Å; M36-R45 PolarHBondContact O-N 3.38Å; E43-R45 PolarHBondContact O-N 3.48Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; R45-D61 IonicContact CZ-OD1 3.86Å; R45-D61 IonicContact CZ-OD2 3.48Å; R45-D61 IonicContact NE-OD1 3.52Å; R45-D61 PolarHBondContact NE-OD1 2.62Å; R45-D61 IonicContact NE-OD2 2.73Å; R45-D61 IonicContact NH2-OD1 2.97Å; R45-D61 PolarHBondContact NH2-OD1 3.02Å; R45-D61 IonicContact NH2-OD2 3.71Å; R45-D61 PolarHBondContact NH2-OD2 3.03Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.45Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact NE-OD2 3.36Å
46	F	98.7	Very high	96.2	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.1	176.4	179.5	-99.5	0	0	0	110	Y33 T34 A35 A48 F60 S62 M91 A95 Y98	Y33-F46 HydrophobicContact CD1-CZ 4.29Å; Y33-F46 HydrophobicContact CD2-CE2 4.14Å; Y33-F46 AromaticContact CD2-CZ 3.8Å; Y33-F46 HydrophobicContact CD2-CZ 3.8Å; Y33-F46 HydrophobicContact CE2-CZ 4.23Å; Y33-F46 HydrophobicContact CG-CE2 4.13Å; Y33-F46 AromaticContact CG-CZ 3.81Å; Y33-F46 HydrophobicContact CG-CZ 3.81Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; F46-A48 HydrophobicContact CE1-CB 3.85Å; F46-A48 HydrophobicContact CZ-CB 4.06Å; F46-F60 AromaticContact CD1-CD1 3.81Å; F46-F60 HydrophobicContact CD1-CD1 3.81Å; F46-F60 AromaticContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 4.13Å; F46-F60 HydrophobicContact CE1-CE1 4.46Å; F46-S62 PolarHBondContact N-OG 2.81Å; F46-S62 PolarHBondContact O-N 3.41Å; F46-S62 PolarHBondContact O-OG 2.93Å; F46-M91 HydrophobicContact CE1-SD 4.5Å; F46-A95 HydrophobicContact CB-CB 3.76Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.48Å; F46-A95 HydrophobicContact CE1-CB 4.46Å; F46-A95 HydrophobicContact CG-CB 3.74Å; F46-Y98 AromaticContact CD2-CD2 4Å; F46-Y98 HydrophobicContact CD2-CD2 4Å; F46-Y98 HydrophobicContact CD2-CG 4.25Å; F46-Y98 AromaticContact CE2-CD2 3.41Å; F46-Y98 HydrophobicContact CE2-CD2 3.41Å; F46-Y98 VanDerWaalsContact CE2-CD2 3.41Å; F46-Y98 AromaticContact CE2-CE2 3.82Å; F46-Y98 HydrophobicContact CE2-CE2 3.82Å; F46-Y98 HydrophobicContact CE2-CG 4.06Å; F46-Y98 HydrophobicContact CZ-CD2 4.3Å; F46-Y98 HydrophobicContact CZ-CE2 4.47Å
47	I	98.8	Very high	96.2	Very high	35 Å²	35	48.3 Å²	48.3	18%	0.179	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.9	174.7	-56.7	175.9	0	0	0	107.6	Y33 T34 M36 R45 V49 F60	Y33-I47 CarbonylContact C-O 3.55Å; Y33-I47 WeakPolarHBondContact CA-O 3.33Å; T34-I47 PolarHBondContact N-O 2.95Å; T34-I47 PolarHBondContact O-N 3.22Å; M36-I47 HydrophobicContact CE-CD1 3.87Å; M36-I47 HydrophobicContact CE-CG1 4.3Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.37Å
48	A	98.8	Very high	96.3	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.017	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.6	170.9	0	0	0	0	0	109.7	F32 Y33 F46 R59 F60 M91	F32-A48 WeakPolarHBondContact O-CA 3.35Å; Y33-A48 HydrophobicContact CD1-CB 3.38Å; Y33-A48 HydrophobicContact CE1-CB 3.54Å; Y33-A48 HydrophobicContact CG-CB 4.29Å; F46-A48 HydrophobicContact CE1-CB 3.85Å; F46-A48 HydrophobicContact CZ-CB 4.06Å; A48-R59 CarbonylContact O-C 3.56Å; A48-R59 WeakPolarHBondContact O-CA 3.37Å; A48-F60 HydrophobicContact CB-CB 4.29Å; A48-F60 PolarHBondContact N-O 3.35Å; A48-F60 PolarHBondContact O-N 3.35Å; A48-M91 HydrophobicContact CB-SD 3.53Å; A48-M91 VanDerWaalsContact CB-SD 3.53Å
49	V	98.9	Very high	96.4	Very high	28 Å²	28	47.5 Å²	47.5	17%	0.17	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.7	174	-62.9	0	0	0	0	109.7	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.59Å; Y31-V49 WeakPolarHBondContact CA-O 3.32Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.2Å; F32-V49 PolarHBondContact O-N 3.05Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.3Å; V49-Y51 HydrophobicContact CG2-CE2 3.8Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; V49-V58 WeakPolarHBondContact CA-O 3.47Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.25Å
50	G	98.7	Very high	96.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.3	176.3	0	0	0	0	0	110.4	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.48Å; R30-G50 WeakPolarHBondContact O-CA 3.43Å; G50-Q56 WeakPolarHBondContact O-CA 3.16Å; G50-Q56 WeakPolarHBondContact O-CG 3.5Å; G50-F57 WeakPolarHBondContact O-CD1 3.35Å; G50-F57 PolarHBondContact O-N 2.81Å; G50-V58 PolarHBondContact N-O 2.91Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.8Å
51	Y	98.7	Very high	97.3	Very high	69 Å²	69	41.9 Å²	41.9	27%	0.271	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.4	178.3	-77.1	-102.7	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.6Å; M29-Y51 WeakPolarHBondContact CA-O 3.34Å; R30-Y51 PolarHBondContact N-O 3.23Å; R30-Y51 PolarHBondContact O-N 3.01Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.18Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.3Å; V49-Y51 HydrophobicContact CG2-CE2 3.8Å; Y51-T55 WeakPolarHBondContact CA-O 3.33Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.47Å; Y51-Q56 HydrophobicContact CD2-CG 4.3Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.25Å; Y51-Q56 HydrophobicContact CE2-CB 4.03Å; Y51-Q56 HydrophobicContact CE2-CG 3.8Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å
52	V	98.4	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.2	156.2	177.8	0	0	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.47Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.19Å; M29-V52 HydrophobicContact CG-CG2 4.39Å; V52-D54 PolarHBondContact O-N 3.46Å; V52-T55 PolarHBondContact N-O 2.93Å; V52-T55 WeakPolarHBondContact O-CB 3.46Å; V52-T55 PolarHBondContact O-N 2.81Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; V52-W75 HydrophobicContact CB-CH2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.91Å; V52-W75 HydrophobicContact CG2-CZ2 4.45Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; 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 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	96.6	Very high	97.9	Very high	30 Å²	30	34.1 Å²	34.1	16%	0.16	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-123.1	-166.6	-52.7	-38.7	0	0	0	110.5	H27 S28	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.1Å; H27-D53 IonicContact CE1-OD2 2.8Å; H27-D53 IonicContact CG-OD2 3.92Å; H27-D53 IonicContact ND1-OD1 2.82Å; H27-D53 IonicContact ND1-OD2 3.8Å; H27-D53 PolarHBondContact ND1-OD2 3.39Å; S28-D53 PolarHBondContact N-OD1 3.48Å; S28-D53 PolarHBondContact O-N 2.88Å
54	D	96.7	Very high	98.1	Very high	63 Å²	63	31.2 Å²	31.2	34%	0.337	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	10.5	178.5	-60.2	-55.4	0	0	0	113.4	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.46Å; D54-Y233 HydrophobicContact CB-CE2 3.99Å; D54-P234 VanDerWaalsContact OD2-CB 3.26Å; D54-P234 WeakPolarHBondContact OD2-CB 3.42Å; D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.17Å; D54-A235 PolarHBondContact OD2-N 2.99Å; D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.73Å
55	T	97.2	Very high	98.1	Very high	15 Å²	15	35.4 Å²	35.4	9%	0.092	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.8	-177.5	-58.1	0	0	0	0	111.5	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.33Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 2.93Å; V52-T55 WeakPolarHBondContact O-CB 3.46Å; V52-T55 PolarHBondContact O-N 2.81Å; T55-F57 PolarHBondContact O-N 2.88Å; T55-A73 HydrophobicContact CG2-CB 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.2Å; T55-Y233 PolarHBondContact OG1-OH 2.86Å
56	Q	97.9	Very high	98	Very high	51 Å²	51	35 Å²	35	24%	0.238	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.9	173.8	-166.2	180	-2.2	0	0	110.4	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.27Å; G50-Q56 WeakPolarHBondContact O-CA 3.16Å; G50-Q56 WeakPolarHBondContact O-CG 3.5Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.47Å; Y51-Q56 HydrophobicContact CD2-CG 4.3Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.25Å; Y51-Q56 HydrophobicContact CE2-CB 4.03Å; Y51-Q56 HydrophobicContact CE2-CG 3.8Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 3.43Å; Q56-R72 HydrophobicContact CB-CB 4.46Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.57Å
57	F	98.3	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-24.1	-179.8	75	-83.8	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.39Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; Y31-F57 HydrophobicContact CE1-CZ 4.14Å; Y31-F57 HydrophobicContact CE2-CZ 4.35Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.19Å; G50-F57 WeakPolarHBondContact O-CD1 3.35Å; G50-F57 PolarHBondContact O-N 2.81Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; T55-F57 PolarHBondContact O-N 2.88Å; F57-R72 PolarHBondContact O-N 2.99Å; F57-A73 HydrophobicContact CB-CB 4.21Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.96Å; F57-W75 HydrophobicContact CD1-CH2 4.1Å; F57-W75 AromaticContact CD2-CH2 3.88Å; F57-W75 HydrophobicContact CD2-CH2 3.88Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CH2 3.47Å; F57-W75 VanDerWaalsContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.38Å; F57-I76 VanDerWaalsContact O-CG2 3.28Å; F57-I76 WeakPolarHBondContact O-CG2 3.32Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.27Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å
58	V	98.6	Very high	97.9	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.5	175.9	-72.6	0	0	0	0	112.7	Y31 V49 G50 Q56 T69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.93Å; V49-V58 WeakPolarHBondContact CA-O 3.47Å; G50-V58 PolarHBondContact N-O 2.91Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 2.8Å; Q56-V58 PolarHBondContact NE2-O 3.43Å; V58-T69 HydrophobicContact CB-CG2 3.94Å; V58-T69 HydrophobicContact CG1-CG2 3.98Å; V58-E70 WeakPolarHBondContact CA-O 3.22Å; V58-I76 HydrophobicContact CG1-CG1 4.46Å; V58-W84 HydrophobicContact CG1-CH2 4.13Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å
59	R	98.6	Very high	97.8	Very high	83 Å²	83	41.8 Å²	41.8	31%	0.313	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	143.4	170.9	179.3	173.2	170.5	152.9	-0.4	110.9	A48 V49 D61 T69 E70 R72	A48-R59 CarbonylContact O-C 3.56Å; A48-R59 WeakPolarHBondContact O-CA 3.37Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.25Å; R59-D61 IonicContact NH2-OD2 2.94Å; R59-D61 PolarHBondContact NH2-OD2 3.45Å; R59-D61 VanDerWaalsContact NH2-OD2 3.11Å; R59-T69 WeakPolarHBondContact O-CA 3.31Å; R59-E70 PolarHBondContact N-O 2.9Å; R59-E70 PolarHBondContact O-N 3.35Å; R59-R72 HydrophobicContact CB-CG 3.89Å
60	F	98.8	Very high	97.8	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.013	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.8	165.5	177.9	-83.9	0	0	0	109.3	F46 I47 A48 P67 M91 K92	F46-F60 AromaticContact CD1-CD1 3.81Å; F46-F60 HydrophobicContact CD1-CD1 3.81Å; F46-F60 AromaticContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 4.13Å; F46-F60 HydrophobicContact CE1-CE1 4.46Å; I47-F60 WeakPolarHBondContact CA-O 3.37Å; A48-F60 HydrophobicContact CB-CB 4.29Å; A48-F60 PolarHBondContact N-O 3.35Å; A48-F60 PolarHBondContact O-N 3.35Å; F60-P67 HydrophobicContact CE2-CB 3.9Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; F60-M91 HydrophobicContact CB-CB 4.06Å; F60-M91 HydrophobicContact CB-CG 3.95Å; F60-M91 HydrophobicContact CD1-CB 3.95Å; F60-M91 HydrophobicContact CD2-CB 3.52Å; F60-M91 HydrophobicContact CD2-CG 4.15Å; F60-M91 HydrophobicContact CE1-CB 4.28Å; F60-M91 HydrophobicContact CE2-CB 3.89Å; F60-M91 HydrophobicContact CG-CB 3.57Å; F60-M91 HydrophobicContact CG-CG 4.03Å; F60-M91 HydrophobicContact CZ-CB 4.25Å; F60-K92 HydrophobicContact CE2-CG 4.1Å; F60-K92 HydrophobicContact CZ-CG 3.93Å
61	D	98.6	Very high	97.8	Very high	20 Å²	20	46.5 Å²	46.5	11%	0.107	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	119	176.3	-161.3	-29.2	0	0	0	109.5	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.86Å; R45-D61 IonicContact CZ-OD2 3.48Å; R45-D61 IonicContact NE-OD1 3.52Å; R45-D61 PolarHBondContact NE-OD1 2.62Å; R45-D61 IonicContact NE-OD2 2.73Å; R45-D61 IonicContact NH2-OD1 2.97Å; R45-D61 PolarHBondContact NH2-OD1 3.02Å; R45-D61 IonicContact NH2-OD2 3.71Å; R45-D61 PolarHBondContact NH2-OD2 3.03Å; R59-D61 IonicContact NH2-OD2 2.94Å; R59-D61 PolarHBondContact NH2-OD2 3.45Å; R59-D61 VanDerWaalsContact NH2-OD2 3.11Å; D61-D63 PolarHBondContact O-N 3.4Å; D61-D63 PolarHBondContact OD1-N 2.93Å; D61-A64 HydrophobicContact CB-CB 4.49Å; D61-A64 WeakPolarHBondContact O-CB 3.29Å; D61-A64 PolarHBondContact O-N 3.44Å
62	S	98.2	Very high	97.8	Very high	34 Å²	34	48.9 Å²	48.9	24%	0.238	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.6	-178.5	68.2	0	0	0	0	113.4	F46 A64 P67	F46-S62 PolarHBondContact N-OG 2.81Å; F46-S62 PolarHBondContact O-N 3.41Å; F46-S62 PolarHBondContact O-OG 2.93Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.43Å
63	D	97.2	Very high	97.7	Very high	68 Å²	68	49.1 Å²	49.1	36%	0.364	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.8	179.6	-80.4	3.1	0	0	0	112.7	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.64Å; R38-D63 IonicContact CZ-OD2 3.5Å; R38-D63 IonicContact NH1-OD1 2.69Å; R38-D63 PolarHBondContact NH1-OD1 2.93Å; R38-D63 IonicContact NH1-OD2 3.02Å; R38-D63 PolarHBondContact NH1-OD2 3.48Å; R38-D63 IonicContact NH2-OD1 2.82Å; R38-D63 PolarHBondContact NH2-OD1 3.47Å; R38-D63 IonicContact NH2-OD2 3.63Å; R45-D63 VanDerWaalsContact CD-OD2 3.3Å; R45-D63 WeakPolarHBondContact CD-OD2 3.45Å; R45-D63 HydrophobicContact CG-CB 4.39Å; R45-D63 IonicContact NE-OD2 3.36Å; D61-D63 PolarHBondContact O-N 3.4Å; D61-D63 PolarHBondContact OD1-N 2.93Å
64	A	97.1	Very high	97.7	Very high	35 Å²	35	52.7 Å²	52.7	29%	0.289	29%	0.293	S	S	.	.	S	Bend	trans	-62.2	148.8	173.1	0	0	0	0	0	111	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.49Å; D61-A64 WeakPolarHBondContact O-CB 3.29Å; D61-A64 PolarHBondContact O-N 3.44Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 3.34Å; A64-S66 VanDerWaalsContact O-N 3.17Å; A64-P67 WeakPolarHBondContact O-CD 3.47Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.35Å
65	A	96.4	Very high	97.7	Very high	118 Å²	118	50.5 Å²	50.5	98%	0.975	28%	0.28	S	S	*	.	S	Bend	trans	-58.4	-32.6	-179.5	0	0	0	0	0	113
66	S	96.1	Very high	97.7	Very high	74 Å²	74	49.8 Å²	49.8	52%	0.517	28%	0.276	S	S	.	.	S	Bend	trans	-133.3	88.6	171.3	-175.8	0	0	0	0	108.5	A64 R68	A64-S66 PolarHBondContact O-N 3.34Å; A64-S66 VanDerWaalsContact O-N 3.17Å; S66-R68 PolarHBondContact O-N 2.96Å
67	P	97.1	Very high	97.7	Very high	33 Å²	33	53.2 Å²	53.2	21%	0.214	29%	0.292	C	S	.	.			trans	-61.5	114.2	-174.8	-24.9	35.3	0	0	0	111.3	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.9Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; S62-P67 WeakPolarHBondContact O-CG 3.43Å; A64-P67 WeakPolarHBondContact O-CD 3.47Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.35Å; P67-K92 WeakPolarHBondContact O-CE 3.47Å; P67-K92 PolarHBondContact O-NZ 3.47Å; P67-K92 VanDerWaalsContact O-NZ 3.15Å
68	R	98.1	Very high	97.6	Very high	142 Å²	142	58.8 Å²	58.8	54%	0.536	32%	0.318	S	S	.	.			trans	-143.4	156.4	176.7	-66.6	-169	174.9	-161.2	-5.2	109.5	S66 T88	S66-R68 PolarHBondContact O-N 2.96Å; R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.18Å
69	T	98.4	Very high	97.5	Very high	8 Å²	8	59.2 Å²	59.2	5%	0.049	32%	0.32	C	S	.	.			trans	-74.8	125.5	169.8	-56.3	0	0	0	0	108	V58 R59 W84 E87 T88	V58-T69 HydrophobicContact CB-CG2 3.94Å; V58-T69 HydrophobicContact CG1-CG2 3.98Å; R59-T69 WeakPolarHBondContact O-CA 3.31Å; T69-W84 HydrophobicContact CG2-CE3 4.23Å; T69-W84 HydrophobicContact CG2-CZ3 4Å; T69-E87 HydrophobicContact CG2-CB 4.1Å; T69-T88 PolarHBondContact N-OG1 3.31Å; T69-T88 PolarHBondContact OG1-N 3.26Å
70	E	98.3	Very high	97.4	Very high	78 Å²	78	57 Å²	57	36%	0.364	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141	-174.6	-63.6	173.4	160.8	0	0	110.6	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.22Å; R59-E70 PolarHBondContact N-O 2.9Å; R59-E70 PolarHBondContact O-N 3.35Å; E70-R72 IonicContact OE2-CZ 3.75Å; E70-R72 IonicContact OE2-NH2 3.62Å; E70-R72 PolarHBondContact OE2-NH2 3.05Å
71	P	98.3	Very high	97.4	Very high	49 Å²	49	61.4 Å²	61.4	32%	0.318	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	145.6	173	28.6	-34.1	0	0	0	111.2	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.66Å; P71-E77 HydrophobicContact CB-CG 3.8Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.97Å; P71-W84 HydrophobicContact CB-CZ3 4.49Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.39Å
72	R	97.8	Very high	97.3	Very high	119 Å²	119	68.8 Å²	68.8	45%	0.449	39%	0.385	S	S	.	.			trans	-128.5	-0	174.9	-60.7	-64.6	170.9	178.8	-1.7	113.4	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.46Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.35Å; Q56-R72 CarbonylContact O-C 3.57Å; F57-R72 PolarHBondContact O-N 2.99Å; R59-R72 HydrophobicContact CB-CG 3.89Å; E70-R72 IonicContact OE2-CZ 3.75Å; E70-R72 IonicContact OE2-NH2 3.62Å; E70-R72 PolarHBondContact OE2-NH2 3.05Å
73	A	96.6	Very high	97.3	Very high	5 Å²	5	68.1 Å²	68.1	4%	0.041	38%	0.378	C	S	.	.	S	Bend	trans	-138	144.6	173	0	0	0	0	0	110.7	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.5Å; F57-A73 HydrophobicContact CB-CB 4.21Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.49Å; A73-I76 WeakPolarHBondContact O-CG2 3.47Å; A73-I76 PolarHBondContact O-N 2.94Å
74	P	96.9	Very high	97.4	Very high	105 Å²	105	66.7 Å²	66.7	68%	0.682	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-59.1	-37.1	-177.4	-26.7	35.1	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 3.27Å; P74-E77 WeakPolarHBondContact O-CB 3.43Å; P74-E77 PolarHBondContact O-N 3.45Å; P74-E77 VanDerWaalsContact O-N 3.13Å
75	W	96.8	Very high	97.4	Very high	17 Å²	17	69.1 Å²	69.1	6%	0.064	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-69.8	-15.1	-176.1	53.4	-106.2	0	0	0	114.2	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.91Å; V52-W75 HydrophobicContact CG2-CZ2 4.45Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.96Å; F57-W75 HydrophobicContact CD1-CH2 4.1Å; F57-W75 AromaticContact CD2-CH2 3.88Å; F57-W75 HydrophobicContact CD2-CH2 3.88Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CH2 3.47Å; F57-W75 VanDerWaalsContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CZ2 4.16Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.49Å; W75-Q78 WeakPolarHBondContact O-CG 3.3Å; W75-Q78 PolarHBondContact O-NE2 3.38Å; W75-Y195 HydrophobicContact CH2-CG 4.23Å; W75-Y195 AromaticContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD2 4.39Å; W75-Y195 AromaticContact CZ3-CG 3.7Å; W75-Y195 HydrophobicContact CZ3-CG 3.7Å; W75-N198 WeakPolarHBondContact CB-O 3.39Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.11Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å
76	I	97.9	Very high	97.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-88.8	-18.9	174.3	-163.4	71.3	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.38Å; F57-I76 VanDerWaalsContact O-CG2 3.28Å; F57-I76 WeakPolarHBondContact O-CG2 3.32Å; V58-I76 HydrophobicContact CG1-CG1 4.46Å; P71-I76 HydrophobicContact CB-CG2 3.66Å; A73-I76 WeakPolarHBondContact O-CG2 3.47Å; A73-I76 PolarHBondContact O-N 2.94Å; P74-I76 PolarHBondContact O-N 3.27Å; I76-Q78 PolarHBondContact O-N 2.89Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.43Å; I76-E79 WeakPolarHBondContact O-CG 3.27Å; I76-E79 PolarHBondContact O-N 3.44Å; I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.06Å; I76-W84 HydrophobicContact CG2-CH2 4.04Å; I76-W84 HydrophobicContact CG2-CZ2 4.41Å; I76-W84 WeakPolarHBondContact O-CZ2 3.4Å; I76-Y195 HydrophobicContact CD1-CD1 3.81Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å
77	E	96.9	Very high	97.6	Very high	123 Å²	123	62.3 Å²	62.3	58%	0.575	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.2	-176.8	-64.6	-179.4	-173.6	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.8Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P74-E77 WeakPolarHBondContact O-CB 3.43Å; P74-E77 PolarHBondContact O-N 3.45Å; P74-E77 VanDerWaalsContact O-N 3.13Å; E77-E79 PolarHBondContact O-N 3.32Å
78	Q	96	Very high	97.7	Very high	118 Å²	118	61.2 Å²	61.2	55%	0.551	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.1	175.6	71	-173.6	-41.8	0	0	113.9	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.3Å; W75-Q78 PolarHBondContact O-NE2 3.38Å; I76-Q78 PolarHBondContact O-N 2.89Å; I76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-N198 PolarHBondContact NE2-ND2 3.16Å
79	E	97.6	Very high	97.7	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.056	32%	0.32	C	S	.	.	S	Bend	trans	-65	137.9	177.2	-66.5	-60.6	162	0	0	111.1	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.68Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.43Å; I76-E79 WeakPolarHBondContact O-CG 3.27Å; I76-E79 PolarHBondContact O-N 3.44Å; E77-E79 PolarHBondContact O-N 3.32Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CE1 4.24Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 HydrophobicContact CB-CZ2 4.49Å; E79-W84 PolarHBondContact O-NE1 2.93Å; E79-R194 IonicContact OE1-CZ 3.42Å; E79-R194 IonicContact OE1-NE 3.01Å; E79-R194 PolarHBondContact OE1-NE 3.19Å; E79-R194 IonicContact OE1-NH2 3.19Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 3.53Å; E79-R194 IonicContact OE2-NE 3.76Å; E79-R194 IonicContact OE2-NH2 2.74Å; E79-R194 PolarHBondContact OE2-NH2 2.98Å; E79-N198 PolarHBondContact OE1-ND2 2.9Å
80	G	97.1	Very high	97.6	Very high	36 Å²	36	66.4 Å²	66.4	37%	0.371	34%	0.338	S	S	.	.			trans	-70.5	168.9	-174.9	0	0	0	0	0	114	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.31Å; G80-E82 VanDerWaalsContact O-N 3.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 2.73Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 2.94Å
81	P	97.6	Very high	97.6	Very high	96 Å²	96	62.9 Å²	62.9	62%	0.623	32%	0.322	S	S	*	.	H	α-helix	trans	-58.3	-32.1	-179.2	23.6	-33.9	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.31Å; P81-Y83 PolarHBondContact O-N 3.36Å; P81-W84 PolarHBondContact O-N 3.5Å; P81-D85 WeakPolarHBondContact O-CB 3.47Å; P81-D85 PolarHBondContact O-N 3.41Å
82	E	97.8	Very high	97.6	Very high	174 Å²	174	65.1 Å²	65.1	81%	0.813	33%	0.326	S	S	*	.	H	α-helix	trans	-61.3	-37.7	177.7	-63.8	-179.3	176.7	0	0	112.8	G80 G86	G80-E82 PolarHBondContact O-N 3.31Å; G80-E82 VanDerWaalsContact O-N 3.17Å; E82-G86 PolarHBondContact O-N 2.9Å
83	Y	97.9	Very high	97.7	Very high	20 Å²	20	62.1 Å²	62.1	8%	0.078	33%	0.327	C	S	.	.	H	α-helix	trans	-64.2	-50.7	174.8	170.6	-95.4	0	0	0	110.4	I76 E79 G80 P81 D85 G86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4Å; E79-Y83 HydrophobicContact CG-CE1 4.24Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.34Å; G80-Y83 PolarHBondContact O-N 2.73Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; P81-Y83 VanDerWaalsContact C-N 3.31Å; P81-Y83 PolarHBondContact O-N 3.36Å; Y83-D85 PolarHBondContact O-N 3.38Å; Y83-G86 PolarHBondContact O-N 2.87Å; Y83-E87 HydrophobicContact CD2-CG 4.23Å; Y83-E87 HydrophobicContact CE1-CG 4.13Å; Y83-E87 HydrophobicContact CE2-CG 3.79Å; Y83-E87 WeakPolarHBondContact O-CB 3.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.24Å; Y83-E87 PolarHBondContact O-N 3.28Å; Y83-W191 AromaticContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CZ2 4.11Å; Y83-W191 AromaticContact CD2-CZ3 4Å; Y83-W191 HydrophobicContact CD2-CZ3 4Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CZ2 4.37Å; Y83-W191 AromaticContact CE2-CZ3 4Å; Y83-W191 HydrophobicContact CE2-CZ3 4Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 2.76Å
84	W	98.4	Very high	97.7	Very high	39 Å²	39	63.1 Å²	63.1	15%	0.148	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-39.7	-178	-64.8	112.7	0	0	0	113.1	V58 T69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.13Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å; T69-W84 HydrophobicContact CG2-CE3 4.23Å; T69-W84 HydrophobicContact CG2-CZ3 4Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.97Å; P71-W84 HydrophobicContact CB-CZ3 4.49Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.39Å; I76-W84 HydrophobicContact CG1-CH2 3.81Å; I76-W84 HydrophobicContact CG1-CZ2 4.06Å; I76-W84 HydrophobicContact CG2-CH2 4.04Å; I76-W84 HydrophobicContact CG2-CZ2 4.41Å; I76-W84 WeakPolarHBondContact O-CZ2 3.4Å; E79-W84 HydrophobicContact CB-CZ2 4.49Å; E79-W84 PolarHBondContact O-NE1 2.93Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 2.94Å; P81-W84 PolarHBondContact O-N 3.5Å; W84-T88 WeakPolarHBondContact O-CB 3.45Å; W84-T88 PolarHBondContact O-N 3.27Å; W84-T88 PolarHBondContact O-OG1 3.05Å
85	D	98.3	Very high	97.8	Very high	85 Å²	85	58.9 Å²	58.9	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-68.8	-39.9	176	-76.7	-19.6	0	0	0	111.5	P81 Y83 R89	P81-D85 WeakPolarHBondContact O-CB 3.47Å; P81-D85 PolarHBondContact O-N 3.41Å; Y83-D85 PolarHBondContact O-N 3.38Å; D85-R89 WeakPolarHBondContact O-CB 3.31Å; D85-R89 PolarHBondContact O-N 3.31Å
86	G	98.1	Very high	97.8	Very high	20 Å²	20	63.5 Å²	63.5	21%	0.206	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-54.1	174.1	0	0	0	0	0	112	E82 Y83 T88 R89 N90	E82-G86 PolarHBondContact O-N 2.9Å; Y83-G86 PolarHBondContact O-N 2.87Å; G86-T88 PolarHBondContact O-N 3.32Å; G86-R89 WeakPolarHBondContact O-CB 3.43Å; G86-R89 PolarHBondContact O-N 2.92Å; G86-R89 VanDerWaalsContact O-N 3.14Å; G86-N90 VanDerWaalsContact O-CG 3.25Å; G86-N90 PolarHBondContact O-N 3.01Å; G86-N90 PolarHBondContact O-ND2 2.87Å
87	E	98	Very high	97.8	Very high	29 Å²	29	67.2 Å²	67.2	14%	0.136	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-42.7	178.6	-75.5	-61.3	94.1	0	0	111.6	T69 Y83 R89 N90 M91	T69-E87 HydrophobicContact CG2-CB 4.1Å; Y83-E87 HydrophobicContact CD2-CG 4.23Å; Y83-E87 HydrophobicContact CE1-CG 4.13Å; Y83-E87 HydrophobicContact CE2-CG 3.79Å; Y83-E87 WeakPolarHBondContact O-CB 3.47Å; Y83-E87 WeakPolarHBondContact O-CG 3.24Å; Y83-E87 PolarHBondContact O-N 3.28Å; E87-R89 VanDerWaalsContact C-N 3.29Å; E87-R89 PolarHBondContact O-N 3.14Å; E87-N90 PolarHBondContact O-N 3.26Å; E87-N90 PolarHBondContact OE1-ND2 2.89Å; E87-M91 VanDerWaalsContact O-CG 3.25Å; E87-M91 WeakPolarHBondContact O-CG 3.34Å; E87-M91 PolarHBondContact O-N 3.03Å
88	T	98.6	Very high	97.9	Very high	11 Å²	11	61.8 Å²	61.8	7%	0.067	33%	0.327	C	S	.	.	H	α-helix	trans	-59.9	-41.4	175.8	-66.7	0	0	0	0	111.5	R68 T69 W84 G86 K92	R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.18Å; T69-T88 PolarHBondContact N-OG1 3.31Å; T69-T88 PolarHBondContact OG1-N 3.26Å; W84-T88 WeakPolarHBondContact O-CB 3.45Å; W84-T88 PolarHBondContact O-N 3.27Å; W84-T88 PolarHBondContact O-OG1 3.05Å; G86-T88 PolarHBondContact O-N 3.32Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CB 3.25Å; T88-K92 WeakPolarHBondContact O-CG 3.47Å; T88-K92 PolarHBondContact O-N 3.02Å
89	R	98.5	Very high	97.9	Very high	176 Å²	176	59.5 Å²	59.5	66%	0.664	31%	0.313	S	S	*	.	H	α-helix	trans	-64.4	-44	176.9	-169.9	-172.8	-57	147.2	5.6	111	D85 G86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.31Å; D85-R89 PolarHBondContact O-N 3.31Å; G86-R89 WeakPolarHBondContact O-CB 3.43Å; G86-R89 PolarHBondContact O-N 2.92Å; G86-R89 VanDerWaalsContact O-N 3.14Å; E87-R89 VanDerWaalsContact C-N 3.29Å; E87-R89 PolarHBondContact O-N 3.14Å; R89-K92 PolarHBondContact O-N 3.23Å; R89-A93 WeakPolarHBondContact O-CB 3.42Å; R89-A93 PolarHBondContact O-N 3.22Å
90	N	97.4	Very high	97.9	Very high	83 Å²	83	62.3 Å²	62.3	44%	0.444	33%	0.327	S	S	.	.	H	α-helix	trans	-61.4	-44.2	177.6	-67.5	-18.8	0	0	0	111.8	G86 E87 A93 S94	G86-N90 VanDerWaalsContact O-CG 3.25Å; G86-N90 PolarHBondContact O-N 3.01Å; G86-N90 PolarHBondContact O-ND2 2.87Å; E87-N90 PolarHBondContact O-N 3.26Å; E87-N90 PolarHBondContact OE1-ND2 2.89Å; N90-A93 PolarHBondContact O-N 3.08Å; N90-S94 WeakPolarHBondContact O-CB 3.5Å; N90-S94 PolarHBondContact O-N 2.68Å; N90-S94 PolarHBondContact O-OG 2.94Å
91	M	98.3	Very high	98	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-67.8	-39	178.6	-63.9	-59	160.5	0	0	112.1	Y31 Y33 F46 A48 F60 E87 S94 A95	Y31-M91 HydrophobicContact CD1-CE 4.31Å; Y31-M91 HydrophobicContact CE1-CE 4.2Å; Y33-M91 HydrophobicContact CE1-CE 4.07Å; Y33-M91 HydrophobicContact CE1-SD 3.88Å; Y33-M91 WeakPolarHBondContact OH-CE 3.3Å; F46-M91 HydrophobicContact CE1-SD 4.5Å; A48-M91 HydrophobicContact CB-SD 3.53Å; A48-M91 VanDerWaalsContact CB-SD 3.53Å; F60-M91 HydrophobicContact CB-CB 4.06Å; F60-M91 HydrophobicContact CB-CG 3.95Å; F60-M91 HydrophobicContact CD1-CB 3.95Å; F60-M91 HydrophobicContact CD2-CB 3.52Å; F60-M91 HydrophobicContact CD2-CG 4.15Å; F60-M91 HydrophobicContact CE1-CB 4.28Å; F60-M91 HydrophobicContact CE2-CB 3.89Å; F60-M91 HydrophobicContact CG-CB 3.57Å; F60-M91 HydrophobicContact CG-CG 4.03Å; F60-M91 HydrophobicContact CZ-CB 4.25Å; E87-M91 VanDerWaalsContact O-CG 3.25Å; E87-M91 WeakPolarHBondContact O-CG 3.34Å; E87-M91 PolarHBondContact O-N 3.03Å; M91-S94 PolarHBondContact O-N 2.87Å; M91-A95 PolarHBondContact O-N 2.94Å
92	K	98.3	Very high	98	Very high	96 Å²	96	59.1 Å²	59.1	42%	0.417	30%	0.296	S	S	.	.	H	α-helix	trans	-65	-42.1	173.8	-75.8	178.9	179.9	177.3	0	112.5	F60 P67 T88 R89 S94 A95 Q96	F60-K92 HydrophobicContact CE2-CG 4.1Å; F60-K92 HydrophobicContact CZ-CG 3.93Å; P67-K92 WeakPolarHBondContact O-CE 3.47Å; P67-K92 PolarHBondContact O-NZ 3.47Å; P67-K92 VanDerWaalsContact O-NZ 3.15Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CB 3.25Å; T88-K92 WeakPolarHBondContact O-CG 3.47Å; T88-K92 PolarHBondContact O-N 3.02Å; R89-K92 PolarHBondContact O-N 3.23Å; K92-S94 VanDerWaalsContact C-N 3.35Å; K92-A95 PolarHBondContact O-N 2.8Å; K92-Q96 PolarHBondContact O-N 2.88Å
93	A	98.3	Very high	97.9	Very high	56 Å²	56	55.5 Å²	55.5	46%	0.463	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-44	174.6	0	0	0	0	0	110.9	R89 N90 A95 Q96 T97	R89-A93 WeakPolarHBondContact O-CB 3.42Å; R89-A93 PolarHBondContact O-N 3.22Å; N90-A93 PolarHBondContact O-N 3.08Å; A93-A95 PolarHBondContact O-N 2.84Å; A93-Q96 PolarHBondContact O-N 2.93Å; A93-T97 PolarHBondContact O-N 3.31Å; A93-T97 PolarHBondContact O-OG1 2.75Å
94	S	98	Very high	97.9	Very high	26 Å²	26	56.4 Å²	56.4	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-47	175	-64.5	0	0	0	0	111.6	N90 M91 K92 Q96 T97 Y98	N90-S94 WeakPolarHBondContact O-CB 3.5Å; N90-S94 PolarHBondContact O-N 2.68Å; N90-S94 PolarHBondContact O-OG 2.94Å; M91-S94 PolarHBondContact O-N 2.87Å; K92-S94 VanDerWaalsContact C-N 3.35Å; S94-Q96 VanDerWaalsContact C-N 3.25Å; S94-Q96 PolarHBondContact O-N 3.17Å; S94-T97 WeakPolarHBondContact O-CA 3.48Å; S94-T97 WeakPolarHBondContact O-CB 3.22Å; S94-T97 PolarHBondContact O-N 3.44Å; S94-Y98 VanDerWaalsContact O-CD2 3.22Å; S94-Y98 WeakPolarHBondContact O-CD2 3.47Å; S94-Y98 PolarHBondContact O-N 3.06Å
95	A	98	Very high	97.8	Very high	16 Å²	16	54.9 Å²	54.9	13%	0.132	28%	0.276	C	S	.	.	H	α-helix	trans	-54.7	-40.2	177.2	0	0	0	0	0	112.7	F46 M91 K92 A93 R99	F46-A95 HydrophobicContact CB-CB 3.76Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.48Å; F46-A95 HydrophobicContact CE1-CB 4.46Å; F46-A95 HydrophobicContact CG-CB 3.74Å; M91-A95 PolarHBondContact O-N 2.94Å; K92-A95 PolarHBondContact O-N 2.8Å; A93-A95 PolarHBondContact O-N 2.84Å; A95-R99 WeakPolarHBondContact O-CB 3.35Å; A95-R99 PolarHBondContact O-N 2.86Å; A95-R99 VanDerWaalsContact O-N 3.09Å
96	Q	97.9	Very high	97.7	Very high	114 Å²	114	52.1 Å²	52.1	53%	0.533	26%	0.261	S	S	.	.	H	α-helix	trans	-67.8	-41.7	175	-64.2	-57.5	-39.3	0	0	112.5	K92 A93 S94 R99 E100	K92-Q96 PolarHBondContact O-N 2.88Å; A93-Q96 PolarHBondContact O-N 2.93Å; S94-Q96 VanDerWaalsContact C-N 3.25Å; S94-Q96 PolarHBondContact O-N 3.17Å; Q96-R99 WeakPolarHBondContact O-CB 3.33Å; Q96-R99 PolarHBondContact O-N 2.73Å; Q96-E100 PolarHBondContact O-N 2.62Å
97	T	97.9	Very high	97.7	Very high	78 Å²	78	58.1 Å²	58.1	48%	0.479	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-45.9	174.9	-61.3	0	0	0	0	111.5	A93 S94 R99 E100 N101	A93-T97 PolarHBondContact O-N 3.31Å; A93-T97 PolarHBondContact O-OG1 2.75Å; S94-T97 WeakPolarHBondContact O-CA 3.48Å; S94-T97 WeakPolarHBondContact O-CB 3.22Å; S94-T97 PolarHBondContact O-N 3.44Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.3Å; T97-E100 PolarHBondContact O-N 3.37Å; T97-N101 PolarHBondContact O-N 3.2Å; T97-N101 PolarHBondContact O-OD1 2.85Å
98	Y	97.6	Very high	97.7	Very high	10 Å²	10	59.1 Å²	59.1	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-33.5	-179.8	-83.2	-81.4	0	0	0	113.6	Y33 A35 F46 S94 E100 N101 L102 I119 R121	Y33-Y98 AromaticContact CD2-CE2 3.71Å; Y33-Y98 HydrophobicContact CD2-CE2 3.71Å; A35-Y98 HydrophobicContact CB-CD1 3.91Å; A35-Y98 HydrophobicContact CB-CG 3.9Å; F46-Y98 AromaticContact CD2-CD2 4Å; F46-Y98 HydrophobicContact CD2-CD2 4Å; F46-Y98 HydrophobicContact CD2-CG 4.25Å; F46-Y98 AromaticContact CE2-CD2 3.41Å; F46-Y98 HydrophobicContact CE2-CD2 3.41Å; F46-Y98 VanDerWaalsContact CE2-CD2 3.41Å; F46-Y98 AromaticContact CE2-CE2 3.82Å; F46-Y98 HydrophobicContact CE2-CE2 3.82Å; F46-Y98 HydrophobicContact CE2-CG 4.06Å; F46-Y98 HydrophobicContact CZ-CD2 4.3Å; F46-Y98 HydrophobicContact CZ-CE2 4.47Å; S94-Y98 VanDerWaalsContact O-CD2 3.22Å; S94-Y98 WeakPolarHBondContact O-CD2 3.47Å; S94-Y98 PolarHBondContact O-N 3.06Å; Y98-E100 VanDerWaalsContact C-N 3.32Å; Y98-E100 PolarHBondContact O-N 2.86Å; Y98-N101 PolarHBondContact O-N 3.3Å; Y98-L102 WeakPolarHBondContact O-CG 3.19Å; Y98-L102 PolarHBondContact O-N 2.78Å; Y98-I119 HydrophobicContact CD1-CB 4.08Å; Y98-I119 HydrophobicContact CD1-CG2 3.7Å; Y98-I119 HydrophobicContact CE1-CB 4.37Å; Y98-I119 HydrophobicContact CE1-CG2 3.53Å; Y98-R121 WeakPolarHBondContact OH-CB 3.19Å; Y98-R121 WeakPolarHBondContact OH-CD 3.34Å
99	R	97.3	Very high	97.6	Very high	69 Å²	69	61.6 Å²	61.6	26%	0.26	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-43.9	171.4	172	-169.4	124.7	134	-14.2	111.5	E43 P44 A95 Q96 T97	E43-R99 IonicContact OE1-NH1 3.78Å; E43-R99 PolarHBondContact OE1-NH1 2.72Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 2.77Å; E43-R99 IonicContact OE2-NE 3.6Å; E43-R99 IonicContact OE2-NH1 3.91Å; E43-R99 PolarHBondContact OE2-NH1 2.7Å; P44-R99 HydrophobicContact CG-CB 4.42Å; P44-R99 HydrophobicContact CG-CG 4.29Å; A95-R99 WeakPolarHBondContact O-CB 3.35Å; A95-R99 PolarHBondContact O-N 2.86Å; A95-R99 VanDerWaalsContact O-N 3.09Å; Q96-R99 WeakPolarHBondContact O-CB 3.33Å; Q96-R99 PolarHBondContact O-N 2.73Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.3Å
100	E	97.3	Very high	97.6	Very high	72 Å²	72	60.5 Å²	60.5	34%	0.336	30%	0.296	S	S	.	.	H	α-helix	trans	-72.1	-38.6	175.7	-172	56.8	-154.6	0	0	111.8	Q96 T97 Y98 L102 R103 I104 R107	Q96-E100 PolarHBondContact O-N 2.62Å; T97-E100 PolarHBondContact O-N 3.37Å; Y98-E100 VanDerWaalsContact C-N 3.32Å; Y98-E100 PolarHBondContact O-N 2.86Å; E100-L102 VanDerWaalsContact C-N 3.29Å; E100-L102 PolarHBondContact O-N 3Å; E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 2.83Å; E100-R103 IonicContact OE2-NH1 3.81Å; E100-R103 PolarHBondContact OE2-NH1 2.79Å; E100-I104 HydrophobicContact CG-CD1 4.04Å; E100-I104 HydrophobicContact CG-CG1 4.48Å; E100-I104 WeakPolarHBondContact O-CG1 3.03Å; E100-I104 PolarHBondContact O-N 2.82Å; E100-R107 IonicContact OE1-NH2 3.57Å
101	N	97.6	Very high	97.5	Very high	59 Å²	59	59.7 Å²	59.7	32%	0.316	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-38.9	176	-69.5	-13.1	0	0	0	112.1	T97 Y98 R103 I104 A105 I119	T97-N101 PolarHBondContact O-N 3.2Å; T97-N101 PolarHBondContact O-OD1 2.85Å; Y98-N101 PolarHBondContact O-N 3.3Å; N101-R103 VanDerWaalsContact C-N 3.32Å; N101-R103 PolarHBondContact O-N 2.82Å; N101-I104 PolarHBondContact O-N 2.91Å; N101-A105 WeakPolarHBondContact O-CB 2.94Å; N101-A105 PolarHBondContact O-N 3.16Å; N101-I119 HydrophobicContact CB-CD1 3.74Å
102	L	97.8	Very high	97.3	Very high	5 Å²	5	63.4 Å²	63.4	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-43.1	173.8	-79.4	164.1	0	0	0	111.5	A35 P44 Y98 E100 A105 L106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4.18Å; P44-L102 HydrophobicContact CB-CD1 3.57Å; P44-L102 HydrophobicContact CG-CD1 3.71Å; Y98-L102 WeakPolarHBondContact O-CG 3.19Å; Y98-L102 PolarHBondContact O-N 2.78Å; E100-L102 VanDerWaalsContact C-N 3.29Å; E100-L102 PolarHBondContact O-N 3Å; L102-A105 PolarHBondContact O-N 3.09Å; L102-L106 WeakPolarHBondContact O-CG 3.42Å; L102-L106 PolarHBondContact O-N 3.19Å; L102-L106 VanDerWaalsContact O-N 3.08Å; L102-H117 HydrophobicContact CD2-CB 4.12Å; L102-I119 HydrophobicContact CB-CD1 4.42Å; L102-I119 HydrophobicContact CD2-CD1 3.88Å; L102-I119 HydrophobicContact CD2-CG1 3.77Å; L102-I119 HydrophobicContact CG-CD1 3.84Å; L102-I119 HydrophobicContact CG-CG1 4.22Å; L102-Y142 HydrophobicContact CD2-CE2 4.43Å
103	R	96.4	Very high	97	Very high	99 Å²	99	66.7 Å²	66.7	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-67.7	-37.3	176.9	-64.2	172.3	-177.3	160.7	-3.7	112.5	E100 N101 R107	E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 2.83Å; E100-R103 IonicContact OE2-NH1 3.81Å; E100-R103 PolarHBondContact OE2-NH1 2.79Å; N101-R103 VanDerWaalsContact C-N 3.32Å; N101-R103 PolarHBondContact O-N 2.82Å; R103-R107 PolarHBondContact O-N 3.03Å
104	I	97.2	Very high	96.7	Very high	39 Å²	39	67.8 Å²	67.8	20%	0.2	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-46.2	175.3	-69.8	166.4	0	0	0	110.3	E100 N101 L106 R107 Y108	E100-I104 HydrophobicContact CG-CD1 4.04Å; E100-I104 HydrophobicContact CG-CG1 4.48Å; E100-I104 WeakPolarHBondContact O-CG1 3.03Å; E100-I104 PolarHBondContact O-N 2.82Å; N101-I104 PolarHBondContact O-N 2.91Å; I104-L106 PolarHBondContact O-N 2.84Å; I104-R107 VanDerWaalsContact CG1-NH2 3.28Å; I104-R107 WeakPolarHBondContact O-CB 3.42Å; I104-R107 PolarHBondContact O-N 3.12Å; I104-R107 VanDerWaalsContact O-N 3.11Å; I104-Y108 HydrophobicContact CG2-CD1 4.18Å; I104-Y108 HydrophobicContact CG2-CD2 4.01Å; I104-Y108 HydrophobicContact CG2-CE1 3.7Å; I104-Y108 HydrophobicContact CG2-CE2 3.51Å; I104-Y108 HydrophobicContact CG2-CG 4.32Å; I104-Y108 PolarHBondContact O-N 2.99Å
105	A	97.2	Very high	96.5	Very high	7 Å²	7	67.8 Å²	67.8	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-59.5	-46.1	179.5	0	0	0	0	0	111.3	N101 L102 R107 Y108 Y109 Y142	N101-A105 WeakPolarHBondContact O-CB 2.94Å; N101-A105 PolarHBondContact O-N 3.16Å; L102-A105 PolarHBondContact O-N 3.09Å; A105-R107 PolarHBondContact O-N 3.16Å; A105-Y108 PolarHBondContact O-N 3.22Å; A105-Y109 VanDerWaalsContact O-CD2 3.3Å; A105-Y109 WeakPolarHBondContact O-CD2 3.46Å; A105-Y109 PolarHBondContact O-N 3.41Å; A105-Y142 HydrophobicContact CB-CD1 4.48Å; A105-Y142 HydrophobicContact CB-CD2 4.16Å; A105-Y142 HydrophobicContact CB-CE1 4.05Å; A105-Y142 HydrophobicContact CB-CE2 3.71Å
106	L	96.8	Very high	96.4	Very high	27 Å²	27	70.7 Å²	70.7	14%	0.141	37%	0.37	C	S	.	.	H	α-helix	trans	-50.3	-45	173.6	-75.7	174.6	0	0	0	112.3	L102 I104 N110 Q111 H117	L102-L106 WeakPolarHBondContact O-CG 3.42Å; L102-L106 PolarHBondContact O-N 3.19Å; L102-L106 VanDerWaalsContact O-N 3.08Å; I104-L106 PolarHBondContact O-N 2.84Å; L106-N110 WeakPolarHBondContact O-CA 3.34Å; L106-N110 PolarHBondContact O-N 2.75Å; L106-Q111 HydrophobicContact CD2-CB 3.65Å; L106-Q111 PolarHBondContact O-N 2.98Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.49Å; L106-H117 VanDerWaalsContact CD2-NE2 3.32Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.41Å
107	R	97.2	Very high	96.4	Very high	146 Å²	146	66.2 Å²	66.2	55%	0.551	35%	0.35	S	S	*	.	H	α-helix	trans	-68.6	-43.1	178.4	-69.2	-173.4	-67.8	-117.4	0.5	112.5	E100 R103 I104 A105 Y109 N110	E100-R107 IonicContact OE1-NH2 3.57Å; R103-R107 PolarHBondContact O-N 3.03Å; I104-R107 VanDerWaalsContact CG1-NH2 3.28Å; I104-R107 WeakPolarHBondContact O-CB 3.42Å; I104-R107 PolarHBondContact O-N 3.12Å; I104-R107 VanDerWaalsContact O-N 3.11Å; A105-R107 PolarHBondContact O-N 3.16Å; R107-Y109 VanDerWaalsContact C-N 3.28Å; R107-Y109 PolarHBondContact O-N 2.94Å; R107-N110 PolarHBondContact O-N 3.27Å
108	Y	97.8	Very high	96.5	Very high	49 Å²	49	64.8 Å²	64.8	19%	0.192	34%	0.338	C	S	.	.	H	α-helix	trans	-63.9	-35.8	-179.7	-69.5	-5.9	0	0	0	112.4	I104 A105 A163 I166 K170	I104-Y108 HydrophobicContact CG2-CD1 4.18Å; I104-Y108 HydrophobicContact CG2-CD2 4.01Å; I104-Y108 HydrophobicContact CG2-CE1 3.7Å; I104-Y108 HydrophobicContact CG2-CE2 3.51Å; I104-Y108 HydrophobicContact CG2-CG 4.32Å; I104-Y108 PolarHBondContact O-N 2.99Å; A105-Y108 PolarHBondContact O-N 3.22Å; Y108-A163 HydrophobicContact CD2-CB 4.45Å; Y108-I166 HydrophobicContact CD1-CD1 4.15Å; Y108-I166 HydrophobicContact CD2-CD1 4.5Å; Y108-I166 HydrophobicContact CE1-CD1 4.31Å; Y108-I166 HydrophobicContact CE1-CG2 4.01Å; Y108-I166 HydrophobicContact CE2-CB 4.05Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.26Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.43Å; Y108-K170 PolarHBondContact OH-NZ 2.69Å
109	Y	97.7	Very high	96.5	Very high	64 Å²	64	65 Å²	65	25%	0.251	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	3	-180	-69.3	-73.1	0	0	0	114.1	A105 R107 Q111 Y142 Y147 D161 A163	A105-Y109 VanDerWaalsContact O-CD2 3.3Å; A105-Y109 WeakPolarHBondContact O-CD2 3.46Å; A105-Y109 PolarHBondContact O-N 3.41Å; R107-Y109 VanDerWaalsContact C-N 3.28Å; R107-Y109 PolarHBondContact O-N 2.94Å; Y109-Q111 PolarHBondContact O-N 2.79Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.44Å; Y109-Y142 HydrophobicContact CD2-CE1 3.44Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.44Å; Y109-Y142 AromaticContact CE2-CD1 3.41Å; Y109-Y142 HydrophobicContact CE2-CD1 3.41Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.41Å; Y109-Y142 AromaticContact CE2-CE1 3.7Å; Y109-Y142 HydrophobicContact CE2-CE1 3.7Å; Y109-Y142 HydrophobicContact CE2-CG 4.39Å; Y109-Y142 HydrophobicContact CG-CE1 4.25Å; Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 AromaticContact CE2-CE2 3.99Å; Y109-Y147 HydrophobicContact CE2-CE2 3.99Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.03Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.48Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.26Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 2.82Å; Y109-D161 PolarHBondContact OH-OD2 2.84Å; Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.39Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.85Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å
110	N	96.8	Very high	96.6	Very high	152 Å²	152	65.3 Å²	65.3	81%	0.813	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	41	-175.6	-56.3	-59.6	0	0	0	113.3	L106 R107	L106-N110 WeakPolarHBondContact O-CA 3.34Å; L106-N110 PolarHBondContact O-N 2.75Å; R107-N110 PolarHBondContact O-N 3.27Å
111	Q	96.7	Very high	96.6	Very high	66 Å²	66	64.6 Å²	64.6	31%	0.308	34%	0.339	S	S	.	.			trans	-91.4	155.1	-177.9	-71.3	165.1	-38.7	0	0	112.1	L106 Y109 H117 Y142	L106-Q111 HydrophobicContact CD2-CB 3.65Å; L106-Q111 PolarHBondContact O-N 2.98Å; Y109-Q111 PolarHBondContact O-N 2.79Å; Q111-H117 VanDerWaalsContact CD-CE1 3.46Å; Q111-H117 PolarHBondContact NE2-CE1 2.95Å; Q111-Y142 PolarHBondContact OE1-OH 3.11Å
112	S	94.1	Very high	96.7	Very high	81 Å²	81	62.8 Å²	62.8	57%	0.566	33%	0.329	S	S	*	.			trans	-76.9	142.8	178.5	175.9	0	0	0	0	112	A114 G115	S112-A114 PolarHBondContact O-N 2.89Å; S112-A114 VanDerWaalsContact O-N 3.16Å; S112-A114 PolarHBondContact OG-N 2.03Å; S112-G115 PolarHBondContact O-N 3.3Å; S112-G115 VanDerWaalsContact O-N 3.13Å
113	E	91.6	Very high	96.7	Very high	165 Å²	165	63.6 Å²	63.6	77%	0.771	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-14.7	173.9	-61.9	-172.4	169.8	0	0	113.7	P39 G115	P39-E113 WeakPolarHBondContact CB-O 3.34Å; P39-E113 VanDerWaalsContact CG-O 3.28Å; P39-E113 WeakPolarHBondContact CG-O 3.29Å; E113-G115 VanDerWaalsContact C-N 3.27Å
114	A	92.6	Very high	96.8	Very high	80 Å²	80	58.9 Å²	58.9	66%	0.661	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.7	175.9	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 2.89Å; S112-A114 VanDerWaalsContact O-N 3.16Å; S112-A114 PolarHBondContact OG-N 2.03Å
115	G	93.3	Very high	96.9	Very high	26 Å²	26	57 Å²	57	27%	0.268	30%	0.304	S	S	.	.	S	Bend	trans	-78.2	138.9	179.8	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.41Å; S112-G115 PolarHBondContact O-N 3.3Å; S112-G115 VanDerWaalsContact O-N 3.13Å; E113-G115 VanDerWaalsContact C-N 3.27Å; G115-H117 PolarHBondContact O-CD2 3.2Å
116	A	96.6	Very high	96.9	Very high	77 Å²	77	57.9 Å²	57.9	64%	0.636	31%	0.308	S	S	*	.			trans	-83.5	132.5	166.4	0	0	0	0	0	109.1
117	H	97.9	Very high	97	Very high	20 Å²	20	56.8 Å²	56.8	9%	0.093	30%	0.302	C	S	.	.			trans	-136	154.3	-174	-64.8	-77.5	0	0	0	110.5	M36 S37 L102 L106 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.4Å; S37-H117 PolarHBondContact N-O 2.86Å; S37-H117 PolarHBondContact OG-N 3.38Å; S37-H117 PolarHBondContact OG-O 2.89Å; L102-H117 HydrophobicContact CD2-CB 4.12Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.49Å; L106-H117 VanDerWaalsContact CD2-NE2 3.32Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.41Å; Q111-H117 VanDerWaalsContact CD-CE1 3.46Å; Q111-H117 PolarHBondContact NE2-CE1 2.95Å; G115-H117 PolarHBondContact O-CD2 3.2Å; H117-Y142 HydrophobicContact CB-CE2 3.91Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 3.82Å; H117-Y142 PolarHBondContact ND1-OH 2.97Å; H117-Y142 VanDerWaalsContact ND1-OH 3.14Å; H117-D143 VanDerWaalsContact CA-OD1 3.23Å; H117-D143 WeakPolarHBondContact CA-OD1 3.35Å; H117-D143 WeakPolarHBondContact CB-OD1 3.41Å; H117-D143 IonicContact CE1-OD2 3.92Å; H117-D143 IonicContact CG-OD1 3.4Å; H117-D143 IonicContact CG-OD2 3.11Å; H117-D143 IonicContact ND1-OD1 2.78Å; H117-D143 PolarHBondContact ND1-OD1 2.95Å; H117-D143 IonicContact ND1-OD2 3.61Å; H117-D143 PolarHBondContact ND1-OD2 3.49Å
118	I	98.3	Very high	96.8	Very high	47 Å²	47	50.3 Å²	50.3	24%	0.241	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.4	-177.5	-171.5	172.4	0	0	0	110.5	T34 A35 M36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CD1 3.65Å; T34-I118 HydrophobicContact CG2-CG1 3.92Å; A35-I118 CarbonylContact O-C 3.59Å; A35-I118 WeakPolarHBondContact O-CA 3.21Å; M36-I118 HydrophobicContact CG-CB 4.43Å; M36-I118 HydrophobicContact CG-CD1 3.9Å; M36-I118 HydrophobicContact CG-CG1 3.87Å; I118-Q120 HydrophobicContact CD1-CG 4.11Å; I118-Q120 HydrophobicContact CG1-CG 4.03Å; I118-Y142 WeakPolarHBondContact O-CA 3.38Å; I118-Y142 VanDerWaalsContact O-CD2 3.27Å; I118-Y142 WeakPolarHBondContact O-CD2 3.49Å; I118-D143 PolarHBondContact N-OD1 3.32Å; I118-D143 PolarHBondContact O-N 3.01Å
119	I	98.6	Very high	96.4	Very high	15 Å²	15	52.7 Å²	52.7	8%	0.077	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.2	165.3	-63.7	173.1	0	0	0	107.6	A35 Y98 N101 L102 A141 Y142	A35-I119 PolarHBondContact N-O 3.4Å; A35-I119 PolarHBondContact O-N 3.19Å; Y98-I119 HydrophobicContact CD1-CB 4.08Å; Y98-I119 HydrophobicContact CD1-CG2 3.7Å; Y98-I119 HydrophobicContact CE1-CB 4.37Å; Y98-I119 HydrophobicContact CE1-CG2 3.53Å; N101-I119 HydrophobicContact CB-CD1 3.74Å; L102-I119 HydrophobicContact CB-CD1 4.42Å; L102-I119 HydrophobicContact CD2-CD1 3.88Å; L102-I119 HydrophobicContact CD2-CG1 3.77Å; L102-I119 HydrophobicContact CG-CD1 3.84Å; L102-I119 HydrophobicContact CG-CG1 4.22Å; I119-A141 WeakPolarHBondContact CA-O 3.44Å; I119-Y142 HydrophobicContact CD1-CD2 4.45Å; I119-Y142 HydrophobicContact CG1-CD2 3.59Å; I119-Y142 HydrophobicContact CG1-CE2 4.06Å
120	Q	98.8	Very high	96	Very high	76 Å²	76	54.5 Å²	54.5	36%	0.355	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.7	173.7	-61.3	172.1	-88.3	0	0	109.5	Y33 T34 I118 S140 A141	Y33-Q120 CarbonylContact O-C 3.53Å; Y33-Q120 VanDerWaalsContact O-CA 3.25Å; Y33-Q120 WeakPolarHBondContact O-CA 3.11Å; T34-Q120 HydrophobicContact CG2-CG 4.25Å; I118-Q120 HydrophobicContact CD1-CG 4.11Å; I118-Q120 HydrophobicContact CG1-CG 4.03Å; Q120-S140 CarbonylContact O-C 3.58Å; Q120-S140 WeakPolarHBondContact O-CA 3.38Å; Q120-A141 HydrophobicContact CB-CB 4.42Å; Q120-A141 PolarHBondContact N-O 3.01Å; Q120-A141 PolarHBondContact O-N 2.83Å
121	R	98.6	Very high	95.6	Very high	57 Å²	57	48.2 Å²	48.2	22%	0.215	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	137.5	169.5	-178.1	-178.4	177	-164.4	-2.5	109.7	F32 Y33 Y98 Y123 D138 Q139	F32-R121 WeakPolarHBondContact CA-O 3.41Å; Y33-R121 PolarHBondContact N-O 2.96Å; Y33-R121 PolarHBondContact O-N 3.01Å; Y98-R121 WeakPolarHBondContact OH-CB 3.19Å; Y98-R121 WeakPolarHBondContact OH-CD 3.34Å; R121-Y123 HydrophobicContact CG-CD1 4.35Å; R121-D138 IonicContact CZ-OD1 3.62Å; R121-D138 IonicContact NE-OD1 2.88Å; R121-D138 PolarHBondContact NE-OD1 3.13Å; R121-D138 IonicContact NE-OD2 3.99Å; R121-D138 IonicContact NH2-OD1 3.66Å; R121-D138 PolarHBondContact NH2-OD1 3.24Å; R121-D138 IonicContact NH2-OD2 2.94Å; R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 VanDerWaalsContact CA-O 3.24Å; R121-Q139 WeakPolarHBondContact CA-O 3.5Å; R121-Q139 WeakPolarHBondContact CG-O 3.46Å
122	M	98.8	Very high	95.5	Very high	21 Å²	21	53.2 Å²	53.2	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.7	166.6	-175	-76.4	-70.8	0	0	107.9	R30 Y31 F32 H137 Q139	R30-M122 HydrophobicContact CG-SD 4.27Å; Y31-M122 WeakPolarHBondContact O-CA 3.4Å; F32-M122 HydrophobicContact CD1-CB 3.96Å; F32-M122 HydrophobicContact CD1-CG 3.68Å; F32-M122 HydrophobicContact CE1-CB 4.04Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CZ-CG 3.93Å; M122-H137 HydrophobicContact CE-CB 3.76Å; M122-H137 HydrophobicContact SD-CB 4Å; M122-Q139 HydrophobicContact CB-CG 4.13Å; M122-Q139 HydrophobicContact CE-CG 3.98Å; M122-Q139 PolarHBondContact N-O 3.38Å; M122-Q139 PolarHBondContact O-N 2.95Å
123	Y	98.6	Very high	95.6	Very high	22 Å²	22	51.8 Å²	51.8	9%	0.086	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.3	171	73.3	-85.8	0	0	0	110.4	R30 Y31 Y33 R121 H137 D138 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.37Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.44Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 AromaticContact CD2-CE2 3.82Å; Y31-Y123 HydrophobicContact CD2-CE2 3.82Å; Y31-Y123 AromaticContact CD2-CZ 3.8Å; Y31-Y123 HydrophobicContact CG-CE1 4.22Å; Y31-Y123 HydrophobicContact CG-CE2 4.21Å; Y31-Y123 AromaticContact CG-CZ 3.71Å; Y31-Y123 PolarHBondContact N-O 3.46Å; Y31-Y123 PolarHBondContact O-N 2.94Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å; Y33-Y123 HydrophobicContact CD1-CE1 4.45Å; Y33-Y123 HydrophobicContact CD2-CE1 4.3Å; Y33-Y123 AromaticContact CE1-CE1 3.88Å; Y33-Y123 HydrophobicContact CE1-CE1 3.88Å; Y33-Y123 AromaticContact CE2-CE1 3.77Å; Y33-Y123 HydrophobicContact CE2-CE1 3.77Å; Y33-Y123 AromaticContact CZ-CE1 3.53Å; Y33-Y123 AromaticContact CZ-CZ 3.96Å; Y33-Y123 PolarHBondContact OH-OH 3.05Å; R121-Y123 HydrophobicContact CG-CD1 4.35Å; Y123-H137 CarbonylContact C-O 3.5Å; Y123-H137 WeakPolarHBondContact CA-O 3.31Å; Y123-H137 WeakPolarHBondContact CB-O 3.4Å; Y123-D138 VanDerWaalsContact CB-OD1 3.24Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.47Å; Y123-Y183 AromaticContact CD2-CE1 3.89Å; Y123-Y183 HydrophobicContact CD2-CE1 3.89Å; Y123-Y183 AromaticContact CE2-CE1 3.75Å; Y123-Y183 HydrophobicContact CE2-CE1 3.75Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å
124	G	98.6	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166	178.4	-172.2	0	0	0	0	0	114.1	M29 H137 L184	M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.5Å; G124-H137 PolarHBondContact N-O 3.17Å; G124-H137 PolarHBondContact O-N 3.03Å; G124-L184 WeakPolarHBondContact O-CD2 3.24Å
125	C	98.6	Very high	96.1	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.5	179.1	52.2	0	0	0	0	110.7	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.3Å; M29-C125 PolarHBondContact N-O 3.4Å; M29-C125 PolarHBondContact O-N 2.85Å; C125-L133 HydrophobicContact CB-CD1 3.58Å; C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.38Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.45Å; C125-C188 PolarHBondContact N-SG 2.98Å; C125-C188 WeakPolarHBondContact SG-CB 3.39Å; C125-C188 PolarHBondContact SG-O 3Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.91Å
126	D	98.1	Very high	96.3	Very high	24 Å²	24	50 Å²	50	13%	0.128	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.3	172.3	-53.8	-27.5	0	0	0	108.6	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.48Å; H27-D126 WeakPolarHBondContact O-CA 3.36Å; S28-D126 WeakPolarHBondContact CB-OD1 3.4Å; R30-D126 IonicContact CZ-OD1 3.2Å; R30-D126 IonicContact NE-OD1 3.69Å; R30-D126 IonicContact NH2-OD1 3.79Å; R30-D126 PolarHBondContact NH2-OD1 3.5Å; R30-D126 IonicContact NH2-OD2 3.52Å; D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 3.48Å; D126-R135 HydrophobicContact CB-CB 4.34Å; D126-R135 PolarHBondContact N-O 3.11Å; D126-R135 PolarHBondContact O-N 3.19Å; D126-H137 IonicContact OD1-CD2 3.55Å; D126-H137 IonicContact OD1-NE2 3.66Å; D126-H137 IonicContact OD2-CD2 2.81Å; D126-H137 IonicContact OD2-CE1 2.91Å; D126-H137 IonicContact OD2-NE2 3.5Å; D126-H137 PolarHBondContact OD2-NE2 2.95Å
127	L	97.1	Very high	96.4	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.3	173.9	-55.3	-177	0	0	0	110.3	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 3.42Å; S26-L127 WeakPolarHBondContact CB-O 3.36Å; H27-L127 PolarHBondContact N-O 3.17Å; H27-L127 VanDerWaalsContact N-O 3.08Å; H27-L127 PolarHBondContact O-N 3.3Å; L127-R132 CarbonylContact C-O 3.44Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.34Å; L127-V189 HydrophobicContact CD1-CG1 4.45Å; L127-V189 HydrophobicContact CD2-CB 4.22Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.88Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.25Å; L127-R193 HydrophobicContact CD1-CG 4Å
128	G	93.9	Very high	96.4	Very high	10 Å²	10	46.7 Å²	46.7	10%	0.103	23%	0.231	C	C	.	.			trans	-72.8	174.8	166.9	0	0	0	0	0	112.1	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.03Å; G128-D130 VanDerWaalsContact O-N 3.14Å; G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 3.43Å; G128-R132 PolarHBondContact N-O 2.78Å
129	P	89.7	Confident	96.4	Very high	100 Å²	100	48.5 Å²	48.5	65%	0.649	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.5	177.6	-24.6	34.9	0	0	0	114.8	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.47Å; P129-G131 PolarHBondContact O-N 3.23Å
130	D	89.3	Confident	96.4	Very high	101 Å²	101	48.5 Å²	48.5	54%	0.54	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	2.3	173.8	70.1	-13.1	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 3.03Å; G128-D130 VanDerWaalsContact O-N 3.14Å; D130-R132 PolarHBondContact O-N 3.14Å; D130-R132 WeakPolarHBondContact OD1-CB 3.23Å; D130-R132 PolarHBondContact OD1-N 3.27Å; D130-R132 WeakPolarHBondContact OD2-CD 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.48Å; D130-R132 IonicContact OD2-NE 3.31Å; D130-R132 IonicContact OD2-NH1 2.76Å
131	G	89.2	Confident	96.4	Very high	20 Å²	20	45.7 Å²	45.7	21%	0.206	23%	0.23	C	C	.	.	S	Bend	trans	72.4	10	-178.6	0	0	0	0	0	114	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 3.43Å; P129-G131 PolarHBondContact O-N 3.23Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.02Å; G131-R193 PolarHBondContact O-NH2 3.45Å
132	R	93.9	Very high	96.4	Very high	171 Å²	171	43.6 Å²	43.6	65%	0.645	22%	0.222	S	C	*	.	S	Bend	trans	-88.6	154.8	177.3	-62	-173.9	-177	163.5	-2.6	111.3	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.44Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.34Å; G128-R132 PolarHBondContact N-O 2.78Å; D130-R132 PolarHBondContact O-N 3.14Å; D130-R132 WeakPolarHBondContact OD1-CB 3.23Å; D130-R132 PolarHBondContact OD1-N 3.27Å; D130-R132 WeakPolarHBondContact OD2-CD 3.32Å; D130-R132 WeakPolarHBondContact OD2-CG 3.48Å; D130-R132 IonicContact OD2-NE 3.31Å; D130-R132 IonicContact OD2-NH1 2.76Å; R132-L134 PolarHBondContact O-N 2.91Å; R132-L134 VanDerWaalsContact O-N 3.16Å
133	L	96.7	Very high	96.4	Very high	51 Å²	51	45.5 Å²	45.5	27%	0.267	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	119.9	175	-176.5	73	0	0	0	109.7	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.58Å; L133-R135 WeakPolarHBondContact CD1-O 3.45Å; L133-L154 HydrophobicContact CD2-CD1 4.26Å; L133-E185 HydrophobicContact CD2-CB 4.35Å; L133-E185 HydrophobicContact CD2-CG 3.64Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 4.03Å
134	L	96.3	Very high	96.3	Very high	127 Å²	127	47.2 Å²	47.2	67%	0.665	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	-45.3	171	-177.3	66.3	0	0	0	110.3	D126 R132	D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 3.48Å; R132-L134 PolarHBondContact O-N 2.91Å; R132-L134 VanDerWaalsContact O-N 3.16Å
135	R	96.6	Very high	96.3	Very high	103 Å²	103	54.9 Å²	54.9	39%	0.389	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	139.5	-176.4	-173.5	172.2	177	137.7	9.3	111.6	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.59Å; C125-R135 WeakPolarHBondContact CA-O 3.38Å; D126-R135 HydrophobicContact CB-CB 4.34Å; D126-R135 PolarHBondContact N-O 3.11Å; D126-R135 PolarHBondContact O-N 3.19Å; L133-R135 WeakPolarHBondContact CD1-O 3.45Å; R135-H137 WeakPolarHBondContact CD-CE1 3.41Å; R135-H137 PolarHBondContact NE-CE1 3.31Å; R135-E152 IonicContact CZ-OE1 2.77Å; R135-E152 IonicContact NH1-OE1 3.77Å; R135-E152 PolarHBondContact NH1-OE1 3.41Å; R135-E152 IonicContact NH2-OE1 3.88Å; R135-E152 PolarHBondContact NH2-OE1 3.48Å
136	G	98	Very high	96.3	Very high	4 Å²	4	61 Å²	61	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	149.3	167.2	0	0	0	0	0	110.8
137	H	98.1	Very high	96.3	Very high	25 Å²	25	61 Å²	61	12%	0.116	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.4	-179	-55.4	-92.3	0	0	0	110.3	M122 Y123 G124 D126 R135	M122-H137 HydrophobicContact CE-CB 3.76Å; M122-H137 HydrophobicContact SD-CB 4Å; Y123-H137 CarbonylContact C-O 3.5Å; Y123-H137 WeakPolarHBondContact CA-O 3.31Å; Y123-H137 WeakPolarHBondContact CB-O 3.4Å; G124-H137 PolarHBondContact N-O 3.17Å; G124-H137 PolarHBondContact O-N 3.03Å; D126-H137 IonicContact OD1-CD2 3.55Å; D126-H137 IonicContact OD1-NE2 3.66Å; D126-H137 IonicContact OD2-CD2 2.81Å; D126-H137 IonicContact OD2-CE1 2.91Å; D126-H137 IonicContact OD2-NE2 3.5Å; D126-H137 PolarHBondContact OD2-NE2 2.95Å; R135-H137 WeakPolarHBondContact CD-CE1 3.41Å; R135-H137 PolarHBondContact NE-CE1 3.31Å
138	D	98.6	Very high	96.4	Very high	2 Å²	2	61 Å²	61	1%	0.011	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	111.7	162.1	-170.3	82.1	0	0	0	108.7	R121 Y123 L150 L180	R121-D138 IonicContact CZ-OD1 3.62Å; R121-D138 IonicContact NE-OD1 2.88Å; R121-D138 PolarHBondContact NE-OD1 3.13Å; R121-D138 IonicContact NE-OD2 3.99Å; R121-D138 IonicContact NH2-OD1 3.66Å; R121-D138 PolarHBondContact NH2-OD1 3.24Å; R121-D138 IonicContact NH2-OD2 2.94Å; Y123-D138 VanDerWaalsContact CB-OD1 3.24Å; Y123-D138 WeakPolarHBondContact CB-OD1 3.47Å; D138-L150 HydrophobicContact CB-CB 3.93Å; D138-L150 HydrophobicContact CB-CD2 4.15Å; D138-L150 WeakPolarHBondContact O-CB 3.18Å; D138-L150 PolarHBondContact O-N 3.4Å; D138-L180 HydrophobicContact CB-CD1 4.22Å
139	Q	98.6	Very high	96.6	Very high	85 Å²	85	61.8 Å²	61.8	40%	0.397	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.7	-178.3	64.6	-169.9	16.4	0	0	111	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 VanDerWaalsContact CA-O 3.24Å; R121-Q139 WeakPolarHBondContact CA-O 3.5Å; R121-Q139 WeakPolarHBondContact CG-O 3.46Å; M122-Q139 HydrophobicContact CB-CG 4.13Å; M122-Q139 HydrophobicContact CE-CG 3.98Å; M122-Q139 PolarHBondContact N-O 3.38Å; M122-Q139 PolarHBondContact O-N 2.95Å; Q139-I148 WeakPolarHBondContact CA-O 3.3Å; Q139-A149 HydrophobicContact CB-CB 3.9Å
140	S	98.6	Very high	97.1	Very high	15 Å²	15	57.8 Å²	57.8	11%	0.105	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.7	178.9	-58.4	0	0	0	0	111.2	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.58Å; Q120-S140 WeakPolarHBondContact O-CA 3.38Å; S140-Y147 WeakPolarHBondContact O-CB 3.4Å; S140-Y147 PolarHBondContact O-N 2.87Å; S140-I148 PolarHBondContact N-O 3.22Å; S140-I148 PolarHBondContact O-N 2.63Å
141	A	98.8	Very high	97.5	Very high	17 Å²	17	55 Å²	55	14%	0.14	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.4	175.7	0	0	0	0	0	110.4	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.44Å; Q120-A141 HydrophobicContact CB-CB 4.42Å; Q120-A141 PolarHBondContact N-O 3.01Å; Q120-A141 PolarHBondContact O-N 2.83Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 2.97Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.23Å
142	Y	98.6	Very high	97.9	Very high	14 Å²	14	60.5 Å²	60.5	6%	0.055	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.8	174.9	-175.9	-122.9	0	0	0	110	L102 A105 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.43Å; A105-Y142 HydrophobicContact CB-CD1 4.48Å; A105-Y142 HydrophobicContact CB-CD2 4.16Å; A105-Y142 HydrophobicContact CB-CE1 4.05Å; A105-Y142 HydrophobicContact CB-CE2 3.71Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.44Å; Y109-Y142 HydrophobicContact CD2-CE1 3.44Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.44Å; Y109-Y142 AromaticContact CE2-CD1 3.41Å; Y109-Y142 HydrophobicContact CE2-CD1 3.41Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.41Å; Y109-Y142 AromaticContact CE2-CE1 3.7Å; Y109-Y142 HydrophobicContact CE2-CE1 3.7Å; Y109-Y142 HydrophobicContact CE2-CG 4.39Å; Y109-Y142 HydrophobicContact CG-CE1 4.25Å; Q111-Y142 PolarHBondContact OE1-OH 3.11Å; H117-Y142 HydrophobicContact CB-CE2 3.91Å; H117-Y142 VanDerWaalsContact CG-OH 3.27Å; H117-Y142 AromaticContact ND1-CZ 3.82Å; H117-Y142 PolarHBondContact ND1-OH 2.97Å; H117-Y142 VanDerWaalsContact ND1-OH 3.14Å; I118-Y142 WeakPolarHBondContact O-CA 3.38Å; I118-Y142 VanDerWaalsContact O-CD2 3.27Å; I118-Y142 WeakPolarHBondContact O-CD2 3.49Å; I119-Y142 HydrophobicContact CD1-CD2 4.45Å; I119-Y142 HydrophobicContact CG1-CD2 3.59Å; I119-Y142 HydrophobicContact CG1-CE2 4.06Å; Y142-G144 PolarHBondContact O-N 2.84Å; Y142-K145 PolarHBondContact N-O 2.93Å; Y142-K145 PolarHBondContact O-N 2.61Å
143	D	98.1	Very high	98.1	Very high	60 Å²	60	56.1 Å²	56.1	32%	0.321	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	38.9	-176.6	-66.2	-18.7	0	0	0	113.6	H117 I118 K145	H117-D143 VanDerWaalsContact CA-OD1 3.23Å; H117-D143 WeakPolarHBondContact CA-OD1 3.35Å; H117-D143 WeakPolarHBondContact CB-OD1 3.41Å; H117-D143 IonicContact CE1-OD2 3.92Å; H117-D143 IonicContact CG-OD1 3.4Å; H117-D143 IonicContact CG-OD2 3.11Å; H117-D143 IonicContact ND1-OD1 2.78Å; H117-D143 PolarHBondContact ND1-OD1 2.95Å; H117-D143 IonicContact ND1-OD2 3.61Å; H117-D143 PolarHBondContact ND1-OD2 3.49Å; I118-D143 PolarHBondContact N-OD1 3.32Å; I118-D143 PolarHBondContact O-N 3.01Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.37Å
144	G	97.1	Very high	98.1	Very high	58 Å²	58	54.2 Å²	54.2	60%	0.598	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	7.6	178.4	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 2.84Å
145	K	98.4	Very high	98.2	Very high	161 Å²	161	51.4 Å²	51.4	70%	0.7	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.7	176.5	-62.2	178.9	-177.5	176.9	0	110.6	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 2.97Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.23Å; Y142-K145 PolarHBondContact N-O 2.93Å; Y142-K145 PolarHBondContact O-N 2.61Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.37Å; K145-Y147 PolarHBondContact O-N 2.84Å
146	D	98.7	Very high	98.3	Very high	128 Å²	128	48.3 Å²	48.3	68%	0.684	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.6	135.9	174.1	-65.1	-33.2	0	0	0	110.5	A160	D146-A160 HydrophobicContact CB-CB 4.44Å; D146-A160 WeakPolarHBondContact O-CB 3.37Å
147	Y	98.7	Very high	98.3	Very high	25 Å²	25	48.7 Å²	48.7	10%	0.098	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-62.3	-179.8	-179.9	-105.1	0	0	0	110.3	Y109 S140 K145 A160 A163 A164 T167	Y109-Y147 HydrophobicContact CE2-CD2 4.36Å; Y109-Y147 AromaticContact CE2-CE2 3.99Å; Y109-Y147 HydrophobicContact CE2-CE2 3.99Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.27Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.03Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.48Å; S140-Y147 WeakPolarHBondContact O-CB 3.4Å; S140-Y147 PolarHBondContact O-N 2.87Å; K145-Y147 PolarHBondContact O-N 2.84Å; Y147-A160 WeakPolarHBondContact O-CB 3.27Å; Y147-A160 PolarHBondContact O-N 2.85Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 2.81Å; Y147-A164 HydrophobicContact CD1-CB 4.46Å; Y147-A164 HydrophobicContact CD2-CB 3.91Å; Y147-A164 HydrophobicContact CE1-CB 4.35Å; Y147-A164 HydrophobicContact CE2-CB 3.8Å; Y147-A164 HydrophobicContact CG-CB 4.24Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 3.48Å
148	I	98.8	Very high	98.3	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	140.9	179.2	-160.6	172.6	0	0	0	110.3	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.3Å; S140-I148 PolarHBondContact N-O 3.22Å; S140-I148 PolarHBondContact O-N 2.63Å; I148-W157 HydrophobicContact CD1-CB 4.39Å; I148-W157 HydrophobicContact CD1-CD2 4.38Å; I148-W157 HydrophobicContact CD1-CE3 4.11Å; I148-W157 HydrophobicContact CG1-CB 4.46Å; I148-W157 HydrophobicContact CG1-CE3 3.99Å; I148-T158 WeakPolarHBondContact CA-O 3.32Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; I148-Q168 HydrophobicContact CD1-CB 3.99Å; I148-W171 HydrophobicContact CD1-CE3 4.14Å; I148-W171 HydrophobicContact CD1-CZ3 4.45Å; I148-W171 HydrophobicContact CG2-CH2 4.25Å; I148-W171 HydrophobicContact CG2-CZ3 3.94Å
149	A	98.8	Very high	98.3	Very high	27 Å²	27	52.3 Å²	52.3	22%	0.223	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.6	177.8	0	0	0	0	0	111.4	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.9Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; A149-T158 PolarHBondContact N-O 2.91Å; A149-T158 PolarHBondContact O-N 2.9Å
150	L	98.8	Very high	98.3	Very high	15 Å²	15	51.2 Å²	51.2	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	128.4	168.3	-176	67.2	0	0	0	108.5	D138 L154 W157 A177 L180 L184	D138-L150 HydrophobicContact CB-CB 3.93Å; D138-L150 HydrophobicContact CB-CD2 4.15Å; D138-L150 WeakPolarHBondContact O-CB 3.18Å; D138-L150 PolarHBondContact O-N 3.4Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; L150-W157 HydrophobicContact CB-CE3 4.1Å; L150-W157 HydrophobicContact CB-CH2 4.12Å; L150-W157 HydrophobicContact CB-CZ3 3.69Å; L150-W157 HydrophobicContact CD1-CD2 4.28Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.19Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-L180 HydrophobicContact CD2-CB 4.26Å; L150-L180 HydrophobicContact CD2-CD1 4.46Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å
151	N	98.6	Very high	98.3	Very high	43 Å²	43	52.9 Å²	52.9	23%	0.23	31%	0.31	C	S	.	.			trans	-72.7	163.5	179.8	-67.5	-29	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.98Å; N151-L154 PolarHBondContact O-N 2.83Å; N151-S156 WeakPolarHBondContact CB-O 3.34Å; N151-S156 WeakPolarHBondContact CB-OG 3.13Å; N151-S156 PolarHBondContact N-O 2.9Å; N151-S156 PolarHBondContact ND2-OG 3.33Å; N151-T158 PolarHBondContact ND2-OG1 3.03Å; N151-T158 WeakPolarHBondContact OD1-CB 3.36Å; N151-T158 PolarHBondContact OD1-OG1 2.8Å
152	E	97.3	Very high	98.3	Very high	135 Å²	135	57.3 Å²	57.3	63%	0.631	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.6	-178.9	-66.6	-179.6	-175.2	0	0	113.6	R135 L154	R135-E152 IonicContact CZ-OE1 2.77Å; R135-E152 IonicContact NH1-OE1 3.77Å; R135-E152 PolarHBondContact NH1-OE1 3.41Å; R135-E152 IonicContact NH2-OE1 3.88Å; R135-E152 PolarHBondContact NH2-OE1 3.48Å; E152-L154 PolarHBondContact O-N 2.84Å
153	D	97.5	Very high	98.3	Very high	80 Å²	80	56.9 Å²	56.9	43%	0.428	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-6.7	174.2	68.3	22.5	0	0	0	114.2	N151 S155 S156	N151-D153 PolarHBondContact O-N 2.98Å; D153-S155 PolarHBondContact O-N 3.06Å; D153-S155 VanDerWaalsContact O-N 3.15Å; D153-S155 WeakPolarHBondContact OD1-CA 3.27Å; D153-S155 PolarHBondContact OD1-N 3.19Å; D153-S155 PolarHBondContact OD1-OG 3.23Å; D153-S155 PolarHBondContact OD2-OG 2.89Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 2.75Å; D153-S156 PolarHBondContact OD1-OG 3.08Å; D153-S156 WeakPolarHBondContact OD2-CB 3.23Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
154	L	98	Very high	98.3	Very high	10 Å²	10	54 Å²	54	5%	0.052	32%	0.319	C	S	.	.	S	Bend	trans	53.7	28.2	-177.3	-52.9	-178.2	0	0	0	114	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.26Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; N151-L154 PolarHBondContact O-N 2.83Å; E152-L154 PolarHBondContact O-N 2.84Å; L154-R181 HydrophobicContact CB-CB 4.14Å; L154-R181 HydrophobicContact CB-CG 3.98Å; L154-R181 HydrophobicContact CD1-CG 4.33Å; L154-L184 HydrophobicContact CD2-CD1 4.06Å; L154-E185 HydrophobicContact CD1-CG 4.17Å
155	S	97.8	Very high	98.4	Very high	69 Å²	69	54.8 Å²	54.8	48%	0.483	31%	0.307	S	S	.	.	S	Bend	trans	-139.1	-27	-174.5	70.2	0	0	0	0	113.6	D153 A177	D153-S155 PolarHBondContact O-N 3.06Å; D153-S155 VanDerWaalsContact O-N 3.15Å; D153-S155 WeakPolarHBondContact OD1-CA 3.27Å; D153-S155 PolarHBondContact OD1-N 3.19Å; D153-S155 PolarHBondContact OD1-OG 3.23Å; D153-S155 PolarHBondContact OD2-OG 2.89Å; S155-A177 WeakPolarHBondContact O-CB 3.35Å
156	S	98.1	Very high	98.4	Very high	37 Å²	37	50 Å²	50	26%	0.259	29%	0.289	S	S	.	.			trans	-118.7	163.8	-178.1	70.6	0	0	0	0	112.2	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.34Å; N151-S156 WeakPolarHBondContact CB-OG 3.13Å; N151-S156 PolarHBondContact N-O 2.9Å; N151-S156 PolarHBondContact ND2-OG 3.33Å; D153-S156 VanDerWaalsContact CG-OG 3.27Å; D153-S156 PolarHBondContact OD1-N 2.75Å; D153-S156 PolarHBondContact OD1-OG 3.08Å; D153-S156 WeakPolarHBondContact OD2-CB 3.23Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
157	W	98.7	Very high	98.4	Very high	12 Å²	12	44.7 Å²	44.7	5%	0.045	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.7	-174	-62.2	94.4	0	0	0	111.5	I148 A149 L150 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.39Å; I148-W157 HydrophobicContact CD1-CD2 4.38Å; I148-W157 HydrophobicContact CD1-CE3 4.11Å; I148-W157 HydrophobicContact CG1-CB 4.46Å; I148-W157 HydrophobicContact CG1-CE3 3.99Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; L150-W157 HydrophobicContact CB-CE3 4.1Å; L150-W157 HydrophobicContact CB-CH2 4.12Å; L150-W157 HydrophobicContact CB-CZ3 3.69Å; L150-W157 HydrophobicContact CD1-CD2 4.28Å; L150-W157 HydrophobicContact CD1-CE3 4.33Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.19Å; W157-Q168 HydrophobicContact CB-CG 4.04Å; W157-Q168 PolarHBondContact O-NE2 3.34Å; W157-W171 HydrophobicContact CD2-CE3 4.06Å; W157-W171 AromaticContact CE2-CE3 3.83Å; W157-W171 AromaticContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 4.03Å; W157-W171 HydrophobicContact CH2-CD2 4.44Å; W157-W171 AromaticContact CH2-CE3 3.23Å; W157-W171 HydrophobicContact CH2-CE3 3.23Å; W157-W171 HydrophobicContact CH2-CH2 4.46Å; W157-W171 AromaticContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CZ2-CD2 4.37Å; W157-W171 AromaticContact CZ2-CE3 3.43Å; W157-W171 HydrophobicContact CZ2-CE3 3.43Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.43Å; W157-W171 AromaticContact CZ2-CZ3 3.97Å; W157-W171 HydrophobicContact CZ2-CZ3 3.97Å; W157-W171 AromaticContact CZ3-CE3 3.51Å; W157-W171 HydrophobicContact CZ3-CE3 3.51Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; W157-V176 HydrophobicContact CZ2-CB 4.33Å; W157-V176 HydrophobicContact CZ2-CG1 4.1Å; W157-A177 HydrophobicContact CZ2-CB 4.2Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.88Å
158	T	98.8	Very high	98.4	Very high	80 Å²	80	45.4 Å²	45.4	49%	0.491	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.5	165	-66.2	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.32Å; A149-T158 PolarHBondContact N-O 2.91Å; A149-T158 PolarHBondContact O-N 2.9Å; N151-T158 PolarHBondContact ND2-OG1 3.03Å; N151-T158 WeakPolarHBondContact OD1-CB 3.36Å; N151-T158 PolarHBondContact OD1-OG1 2.8Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	52.7 Å²	52.7	19%	0.19	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.6	175.7	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.76Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.41Å
160	A	98.5	Very high	98.3	Very high	62 Å²	62	57 Å²	57	51%	0.512	31%	0.306	S	S	.	.	S	Bend	trans	-75	-30.3	-175.5	0	0	0	0	0	113.5	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.44Å; D146-A160 WeakPolarHBondContact O-CB 3.37Å; Y147-A160 WeakPolarHBondContact O-CB 3.27Å; Y147-A160 PolarHBondContact O-N 2.85Å
161	D	98.4	Very high	98.3	Very high	51 Å²	51	59.4 Å²	59.4	27%	0.273	31%	0.314	S	S	.	.	S	Bend	trans	-151	-176.3	-177.7	67.3	29.1	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.26Å; Y109-D161 VanDerWaalsContact OH-CG 3.29Å; Y109-D161 PolarHBondContact OH-OD1 2.82Å; Y109-D161 PolarHBondContact OH-OD2 2.84Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.16Å; D161-A163 WeakPolarHBondContact OD1-CA 3.25Å; D161-A163 WeakPolarHBondContact OD1-CB 3.28Å; D161-A163 PolarHBondContact OD1-N 2.91Å; D161-A164 PolarHBondContact O-N 3.12Å; D161-A164 PolarHBondContact OD1-N 2.89Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 3.41Å
162	T	98.3	Very high	98.3	Very high	110 Å²	110	61.7 Å²	61.7	68%	0.675	32%	0.324	S	S	*	.	H	α-helix	trans	-65.7	-27.5	-179.3	51.5	0	0	0	0	113.9
163	A	98	Very high	98.4	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.033	33%	0.329	C	S	.	.	H	α-helix	trans	-73.4	-44.7	175.6	0	0	0	0	0	110.1	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.39Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.85Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å; Y147-A163 HydrophobicContact CE2-CB 4.44Å; Y147-A163 PolarHBondContact OH-O 2.81Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.16Å; D161-A163 WeakPolarHBondContact OD1-CA 3.25Å; D161-A163 WeakPolarHBondContact OD1-CB 3.28Å; D161-A163 PolarHBondContact OD1-N 2.91Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.28Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.49Å; A163-I166 PolarHBondContact O-N 3.25Å
164	A	98.4	Very high	98.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.3	-34.7	174	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD1-CB 4.46Å; Y147-A164 HydrophobicContact CD2-CB 3.91Å; Y147-A164 HydrophobicContact CE1-CB 4.35Å; Y147-A164 HydrophobicContact CE2-CB 3.8Å; Y147-A164 HydrophobicContact CG-CB 4.24Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; A159-A164 HydrophobicContact CB-CB 3.76Å; D161-A164 PolarHBondContact O-N 3.12Å; D161-A164 PolarHBondContact OD1-N 2.89Å; A164-I166 PolarHBondContact O-N 2.87Å; A164-T167 WeakPolarHBondContact O-CA 3.09Å; A164-T167 WeakPolarHBondContact O-CB 3.37Å; A164-T167 PolarHBondContact O-N 3.44Å; A164-Q168 PolarHBondContact O-N 3Å
165	Q	98.7	Very high	98.4	Very high	75 Å²	75	65.5 Å²	65.5	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-59.6	-28.4	173.2	-74.3	174.4	10.5	0	0	113	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 3.41Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.28Å; Q165-R169 WeakPolarHBondContact O-CG 3.33Å; Q165-R169 PolarHBondContact O-N 3.22Å; Q165-R169 VanDerWaalsContact O-N 3.1Å
166	I	98.5	Very high	98.4	Very high	60 Å²	60	63.5 Å²	63.5	31%	0.308	34%	0.342	S	S	.	.	H	α-helix	trans	-68	-43.5	174.1	-55.9	170.5	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.15Å; Y108-I166 HydrophobicContact CD2-CD1 4.5Å; Y108-I166 HydrophobicContact CE1-CD1 4.31Å; Y108-I166 HydrophobicContact CE1-CG2 4.01Å; Y108-I166 HydrophobicContact CE2-CB 4.05Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.26Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.43Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.49Å; A163-I166 PolarHBondContact O-N 3.25Å; A164-I166 PolarHBondContact O-N 2.87Å; I166-K170 WeakPolarHBondContact O-CG 3.42Å; I166-K170 PolarHBondContact O-N 2.65Å
167	T	98.3	Very high	98.4	Very high	17 Å²	17	62.1 Å²	62.1	10%	0.104	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-45.9	174	-67.8	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 3.48Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; A164-T167 WeakPolarHBondContact O-CA 3.09Å; A164-T167 WeakPolarHBondContact O-CB 3.37Å; A164-T167 PolarHBondContact O-N 3.44Å; T167-R169 PolarHBondContact O-N 2.86Å; T167-K170 WeakPolarHBondContact O-CB 3.39Å; T167-K170 PolarHBondContact O-N 2.89Å; T167-K170 VanDerWaalsContact O-N 3.12Å; T167-W171 HydrophobicContact CG2-CD2 3.75Å; T167-W171 HydrophobicContact CG2-CE3 4.28Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CZ2 4.01Å; T167-W171 WeakPolarHBondContact O-CB 3.33Å; T167-W171 PolarHBondContact O-N 2.82Å
168	Q	98.7	Very high	98.4	Very high	40 Å²	40	66.8 Å²	66.8	19%	0.187	36%	0.355	C	S	.	.	H	α-helix	trans	-51.7	-54	177.2	175.8	175.8	12.3	0	0	111.5	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.99Å; W157-Q168 HydrophobicContact CB-CG 4.04Å; W157-Q168 PolarHBondContact O-NE2 3.34Å; A159-Q168 HydrophobicContact CB-CB 4.41Å; A164-Q168 PolarHBondContact O-N 3Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.82Å; Q168-W171 PolarHBondContact O-N 3.22Å; Q168-W171 VanDerWaalsContact O-N 3.08Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.28Å; Q168-E172 PolarHBondContact NE2-OE1 2.96Å; Q168-E172 WeakPolarHBondContact O-CB 3.3Å; Q168-E172 WeakPolarHBondContact O-CG 3.32Å; Q168-E172 PolarHBondContact O-N 3.1Å
169	R	98.7	Very high	98.3	Very high	156 Å²	156	69.5 Å²	69.5	59%	0.589	36%	0.362	S	S	*	.	H	α-helix	trans	-58.9	-39	179.9	-68.7	170.7	-165.6	155.4	8.4	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.33Å; Q165-R169 PolarHBondContact O-N 3.22Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; T167-R169 PolarHBondContact O-N 2.86Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.43Å; R169-A173 PolarHBondContact O-N 2.85Å
170	K	98.3	Very high	98.3	Very high	117 Å²	117	69.4 Å²	69.4	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-42.8	176.3	-73.3	178	174.8	-175.7	0	111.5	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.69Å; I166-K170 WeakPolarHBondContact O-CG 3.42Å; I166-K170 PolarHBondContact O-N 2.65Å; T167-K170 WeakPolarHBondContact O-CB 3.39Å; T167-K170 PolarHBondContact O-N 2.89Å; T167-K170 VanDerWaalsContact O-N 3.12Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 2.82Å; K170-A174 VanDerWaalsContact O-CB 3.28Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.24Å
171	W	98.4	Very high	98.3	Very high	66 Å²	66	71.6 Å²	71.6	25%	0.25	35%	0.354	C	S	.	.	H	α-helix	trans	-71.6	-37.3	-178.6	-76.8	12.2	0	0	0	112.5	I148 W157 T167 Q168 A174 R175 V176	I148-W171 HydrophobicContact CD1-CE3 4.14Å; I148-W171 HydrophobicContact CD1-CZ3 4.45Å; I148-W171 HydrophobicContact CG2-CH2 4.25Å; I148-W171 HydrophobicContact CG2-CZ3 3.94Å; W157-W171 HydrophobicContact CD2-CE3 4.06Å; W157-W171 AromaticContact CE2-CE3 3.83Å; W157-W171 AromaticContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 4.03Å; W157-W171 HydrophobicContact CH2-CD2 4.44Å; W157-W171 AromaticContact CH2-CE3 3.23Å; W157-W171 HydrophobicContact CH2-CE3 3.23Å; W157-W171 HydrophobicContact CH2-CH2 4.46Å; W157-W171 AromaticContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CZ2-CD2 4.37Å; W157-W171 AromaticContact CZ2-CE3 3.43Å; W157-W171 HydrophobicContact CZ2-CE3 3.43Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.43Å; W157-W171 AromaticContact CZ2-CZ3 3.97Å; W157-W171 HydrophobicContact CZ2-CZ3 3.97Å; W157-W171 AromaticContact CZ3-CE3 3.51Å; W157-W171 HydrophobicContact CZ3-CE3 3.51Å; W157-W171 AromaticContact CZ3-CZ3 3.31Å; W157-W171 HydrophobicContact CZ3-CZ3 3.31Å; T167-W171 HydrophobicContact CG2-CD2 3.75Å; T167-W171 HydrophobicContact CG2-CE3 4.28Å; T167-W171 HydrophobicContact CG2-CG 4.05Å; T167-W171 HydrophobicContact CG2-CZ2 4.01Å; T167-W171 WeakPolarHBondContact O-CB 3.33Å; T167-W171 PolarHBondContact O-N 2.82Å; Q168-W171 PolarHBondContact O-N 3.22Å; Q168-W171 VanDerWaalsContact O-N 3.08Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 2.8Å; W171-R175 PolarHBondContact O-N 3.4Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.91Å; W171-V176 HydrophobicContact CD2-CB 4.44Å; W171-V176 HydrophobicContact CD2-CG1 4.21Å; W171-V176 HydrophobicContact CD2-CG2 4.47Å; W171-V176 HydrophobicContact CE3-CG1 4.37Å; W171-V176 HydrophobicContact CG-CB 4.12Å; W171-V176 HydrophobicContact CG-CG1 4.39Å; W171-V176 HydrophobicContact CG-CG2 3.86Å; W171-V176 PolarHBondContact O-N 2.75Å
172	E	98.6	Very high	98.3	Very high	92 Å²	92	72.3 Å²	72.3	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-48.5	171.7	-72.5	169.4	173.3	0	0	111	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.28Å; Q168-E172 PolarHBondContact NE2-OE1 2.96Å; Q168-E172 WeakPolarHBondContact O-CB 3.3Å; Q168-E172 WeakPolarHBondContact O-CG 3.32Å; Q168-E172 PolarHBondContact O-N 3.1Å; E172-A174 PolarHBondContact O-N 2.73Å; E172-R175 PolarHBondContact O-N 3.02Å
173	A	98.4	Very high	98.3	Very high	89 Å²	89	69.7 Å²	69.7	74%	0.736	35%	0.345	S	S	*	.	H	α-helix	trans	-60.9	-34.6	177.1	0	0	0	0	0	112.7	R169	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.43Å; R169-A173 PolarHBondContact O-N 2.85Å
174	A	98.2	Very high	98.3	Very high	60 Å²	60	69.6 Å²	69.6	50%	0.496	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	1.7	177.1	0	0	0	0	0	114.1	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.28Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.24Å; W171-A174 CarbonylContact O-C 3.54Å; W171-A174 PolarHBondContact O-N 2.8Å; E172-A174 PolarHBondContact O-N 2.73Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.07Å; A174-V176 PolarHBondContact O-N 3.14Å
175	R	98	Very high	98.3	Very high	156 Å²	156	73.8 Å²	73.8	59%	0.589	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	40	-178.7	-61	173.9	172.1	-130.5	7.2	113.8	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.4Å; E172-R175 PolarHBondContact O-N 3.02Å; R175-A177 PolarHBondContact O-N 3.47Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.45Å; R175-E178 IonicContact CZ-OE1 3.65Å; R175-E178 IonicContact NE-OE1 2.79Å; R175-E178 IonicContact NH1-OE1 3.59Å; R175-E178 PolarHBondContact NH1-OE1 3.06Å; R175-E178 IonicContact NH1-OE2 3.69Å; R175-E178 PolarHBondContact O-N 3.12Å; R175-E178 VanDerWaalsContact O-N 3.15Å
176	V	98.3	Very high	98.2	Very high	27 Å²	27	71.3 Å²	71.3	16%	0.164	36%	0.358	C	S	.	.	H	α-helix	trans	-60.4	-34.7	-177.9	175.9	0	0	0	0	111.8	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CZ2-CB 4.33Å; W157-V176 HydrophobicContact CZ2-CG1 4.1Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.91Å; W171-V176 HydrophobicContact CD2-CB 4.44Å; W171-V176 HydrophobicContact CD2-CG1 4.21Å; W171-V176 HydrophobicContact CD2-CG2 4.47Å; W171-V176 HydrophobicContact CE3-CG1 4.37Å; W171-V176 HydrophobicContact CG-CB 4.12Å; W171-V176 HydrophobicContact CG-CG1 4.39Å; W171-V176 HydrophobicContact CG-CG2 3.86Å; W171-V176 PolarHBondContact O-N 2.75Å; A174-V176 VanDerWaalsContact C-N 3.26Å; A174-V176 HydrophobicContact CB-CG2 4.07Å; A174-V176 PolarHBondContact O-N 3.14Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 2.77Å; V176-Q179 PolarHBondContact O-N 2.98Å; V176-L180 HydrophobicContact CG1-CD1 3.9Å; V176-L180 HydrophobicContact CG1-CG 4.23Å; V176-L180 PolarHBondContact O-N 2.84Å
177	A	98.4	Very high	98.2	Very high	7 Å²	7	72.6 Å²	72.6	6%	0.058	37%	0.365	C	S	.	.	H	α-helix	trans	-60.3	-37.1	178.1	0	0	0	0	0	112.7	L150 S155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; S155-A177 WeakPolarHBondContact O-CB 3.35Å; W157-A177 HydrophobicContact CZ2-CB 4.2Å; R175-A177 PolarHBondContact O-N 3.47Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.11Å; A177-L180 PolarHBondContact O-N 2.86Å; A177-R181 WeakPolarHBondContact O-CB 3.48Å; A177-R181 PolarHBondContact O-N 2.86Å
178	E	98.1	Very high	98.2	Very high	110 Å²	110	71.8 Å²	71.8	51%	0.514	36%	0.36	S	S	.	.	H	α-helix	trans	-63	-39.9	177.6	-63.2	177.4	-163.7	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.45Å; R175-E178 IonicContact CZ-OE1 3.65Å; R175-E178 IonicContact NE-OE1 2.79Å; R175-E178 IonicContact NH1-OE1 3.59Å; R175-E178 PolarHBondContact NH1-OE1 3.06Å; R175-E178 IonicContact NH1-OE2 3.69Å; R175-E178 PolarHBondContact O-N 3.12Å; R175-E178 VanDerWaalsContact O-N 3.15Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 2.77Å; E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 3.47Å
179	Q	97.2	Very high	98.1	Very high	137 Å²	137	70.2 Å²	70.2	64%	0.64	35%	0.353	S	S	*	.	H	α-helix	trans	-68.9	-43.8	177.9	-61	178.8	8.9	0	0	111.8	V176 A177 A182 Y183	V176-Q179 PolarHBondContact O-N 2.98Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.11Å; Q179-A182 PolarHBondContact O-N 3.37Å; Q179-Y183 PolarHBondContact O-N 3.42Å; Q179-Y183 VanDerWaalsContact O-N 3.1Å
180	L	97.9	Very high	98.1	Very high	22 Å²	22	68.4 Å²	68.4	12%	0.115	35%	0.351	C	S	.	.	H	α-helix	trans	-65.8	-42.9	177.8	-69.8	172.8	0	0	0	111.3	D138 L150 W157 V176 A177 A182 Y183 L184	D138-L180 HydrophobicContact CB-CD1 4.22Å; L150-L180 HydrophobicContact CD2-CB 4.26Å; L150-L180 HydrophobicContact CD2-CD1 4.46Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.88Å; V176-L180 HydrophobicContact CG1-CD1 3.9Å; V176-L180 HydrophobicContact CG1-CG 4.23Å; V176-L180 PolarHBondContact O-N 2.84Å; A177-L180 PolarHBondContact O-N 2.86Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 3.25Å; L180-Y183 PolarHBondContact O-N 2.92Å; L180-L184 WeakPolarHBondContact O-CB 3.47Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.84Å
181	R	98.3	Very high	98.1	Very high	108 Å²	108	66.3 Å²	66.3	41%	0.408	34%	0.34	S	S	.	.	H	α-helix	trans	-57.3	-47.8	174.3	-178.1	178.9	175.6	161.4	13.2	111.5	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.14Å; L154-R181 HydrophobicContact CB-CG 3.98Å; L154-R181 HydrophobicContact CD1-CG 4.33Å; A177-R181 WeakPolarHBondContact O-CB 3.48Å; A177-R181 PolarHBondContact O-N 2.86Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.44Å; R181-L184 PolarHBondContact O-N 3.27Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 WeakPolarHBondContact CG-OE2 3.43Å; R181-E185 IonicContact CZ-OE1 2.77Å; R181-E185 IonicContact CZ-OE2 3.69Å; R181-E185 IonicContact NE-OE1 2.78Å; R181-E185 PolarHBondContact NE-OE1 2.9Å; R181-E185 IonicContact NE-OE2 3.74Å; R181-E185 PolarHBondContact NE-OE2 3.35Å; R181-E185 IonicContact NH2-OE1 3.46Å; R181-E185 PolarHBondContact NH2-OE1 2.85Å; R181-E185 IonicContact NH2-OE2 3.63Å; R181-E185 WeakPolarHBondContact O-CB 3.31Å; R181-E185 PolarHBondContact O-N 3.07Å
182	A	98.3	Very high	98.1	Very high	65 Å²	65	63.2 Å²	63.2	54%	0.537	33%	0.328	S	S	.	.	H	α-helix	trans	-59.4	-39	177.8	0	0	0	0	0	112.6	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 3.47Å; Q179-A182 PolarHBondContact O-N 3.37Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 3.25Å; A182-G186 PolarHBondContact O-N 2.84Å; A182-G186 VanDerWaalsContact O-N 3.15Å
183	Y	98.1	Very high	98	Very high	56 Å²	56	64.5 Å²	64.5	22%	0.22	33%	0.329	C	S	.	.	I	π-helix	trans	-67.2	-48.1	173.6	171.3	-96.4	0	0	0	112.3	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.89Å; Y123-Y183 HydrophobicContact CD2-CE1 3.89Å; Y123-Y183 AromaticContact CE2-CE1 3.75Å; Y123-Y183 HydrophobicContact CE2-CE1 3.75Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å; Q179-Y183 PolarHBondContact O-N 3.42Å; Q179-Y183 VanDerWaalsContact O-N 3.1Å; L180-Y183 PolarHBondContact O-N 2.92Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.44Å; Y183-G186 CarbonylContact O-C 3.57Å; Y183-G186 PolarHBondContact O-N 2.85Å; Y183-L187 HydrophobicContact CD2-CB 3.83Å; Y183-L187 HydrophobicContact CD2-CD1 4.14Å; Y183-L187 HydrophobicContact CE2-CB 4.05Å; Y183-L187 PolarHBondContact O-N 2.95Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; Y183-C188 HydrophobicContact CD1-CB 4.31Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.45Å; Y183-C188 PolarHBondContact O-N 2.82Å
184	L	98.4	Very high	98	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.01	32%	0.316	C	S	.	.	I	π-helix	trans	-69.5	-38.6	-174.1	-70.4	171.6	0	0	0	112.7	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.24Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å; L154-L184 HydrophobicContact CD2-CD1 4.06Å; L180-L184 WeakPolarHBondContact O-CB 3.47Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.84Å; R181-L184 PolarHBondContact O-N 3.27Å; L184-V189 WeakPolarHBondContact O-CG2 3.17Å
185	E	97.9	Very high	98	Very high	88 Å²	88	63.3 Å²	63.3	41%	0.411	29%	0.293	S	S	.	.	I	π-helix	trans	-80.6	-23.6	176.7	-68.9	179.8	159.9	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.35Å; L133-E185 HydrophobicContact CD2-CG 3.64Å; L154-E185 HydrophobicContact CD1-CG 4.17Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 WeakPolarHBondContact CG-OE2 3.43Å; R181-E185 IonicContact CZ-OE1 2.77Å; R181-E185 IonicContact CZ-OE2 3.69Å; R181-E185 IonicContact NE-OE1 2.78Å; R181-E185 PolarHBondContact NE-OE1 2.9Å; R181-E185 IonicContact NE-OE2 3.74Å; R181-E185 PolarHBondContact NE-OE2 3.35Å; R181-E185 IonicContact NH2-OE1 3.46Å; R181-E185 PolarHBondContact NH2-OE1 2.85Å; R181-E185 IonicContact NH2-OE2 3.63Å; R181-E185 WeakPolarHBondContact O-CB 3.31Å; R181-E185 PolarHBondContact O-N 3.07Å
186	G	97.6	Very high	97.9	Very high	23 Å²	23	56.6 Å²	56.6	24%	0.237	27%	0.269	C	S	.	.	I	π-helix	trans	-107.6	-93.6	-178	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.84Å; A182-G186 VanDerWaalsContact O-N 3.15Å; Y183-G186 CarbonylContact O-C 3.57Å; Y183-G186 PolarHBondContact O-N 2.85Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.96Å; G186-V189 WeakPolarHBondContact O-CB 3.4Å; G186-V189 PolarHBondContact O-N 2.62Å; G186-V189 VanDerWaalsContact O-N 3.07Å; G186-E190 WeakPolarHBondContact O-CG 3.36Å; G186-E190 PolarHBondContact O-N 2.77Å
187	L	97.4	Very high	97.8	Very high	87 Å²	87	61.2 Å²	61.2	46%	0.455	29%	0.288	S	S	.	.	I	π-helix	trans	-55.6	-40	-170.1	-69.4	175.9	0	0	0	113.6	Y183 V189 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.83Å; Y183-L187 HydrophobicContact CD2-CD1 4.14Å; Y183-L187 HydrophobicContact CE2-CB 4.05Å; Y183-L187 PolarHBondContact O-N 2.95Å; Y183-L187 VanDerWaalsContact O-N 3.11Å; L187-V189 PolarHBondContact O-N 2.99Å; L187-E190 PolarHBondContact O-N 2.86Å; L187-W191 WeakPolarHBondContact O-CB 3.19Å; L187-W191 PolarHBondContact O-N 2.87Å
188	C	98.4	Very high	97.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-46.8	178.8	-171.2	0	0	0	0	111.3	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 VanDerWaalsContact CE-O 3.28Å; M29-C188 WeakPolarHBondContact CE-O 3.25Å; M29-C188 WeakPolarHBondContact CE-SG 3.01Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.45Å; C125-C188 PolarHBondContact N-SG 2.98Å; C125-C188 WeakPolarHBondContact SG-CB 3.39Å; C125-C188 PolarHBondContact SG-O 3Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.91Å; Y183-C188 HydrophobicContact CD1-CB 4.31Å; Y183-C188 HydrophobicContact CE1-CB 3.89Å; Y183-C188 WeakPolarHBondContact O-CB 3.45Å; Y183-C188 PolarHBondContact O-N 2.82Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.96Å; C188-L192 VanDerWaalsContact O-CB 3.29Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 3.46Å
189	V	98.3	Very high	97.7	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-44.5	178.1	177.4	0	0	0	0	111	L127 L133 L184 G186 L187 R193	L127-V189 HydrophobicContact CD1-CG1 4.45Å; L127-V189 HydrophobicContact CD2-CB 4.22Å; L127-V189 HydrophobicContact CD2-CG1 3.78Å; L127-V189 HydrophobicContact CD2-CG2 3.88Å; L133-V189 HydrophobicContact CB-CG2 4.04Å; L133-V189 HydrophobicContact CD1-CG2 4.03Å; L184-V189 WeakPolarHBondContact O-CG2 3.17Å; G186-V189 WeakPolarHBondContact O-CB 3.4Å; G186-V189 PolarHBondContact O-N 2.62Å; G186-V189 VanDerWaalsContact O-N 3.07Å; L187-V189 PolarHBondContact O-N 2.99Å; V189-R193 VanDerWaalsContact CG1-CZ 3.41Å; V189-R193 WeakPolarHBondContact O-CG 3.35Å; V189-R193 PolarHBondContact O-N 3Å
190	E	98.1	Very high	97.5	Very high	118 Å²	118	56.7 Å²	56.7	55%	0.551	27%	0.266	S	S	*	.	H	α-helix	trans	-61.3	-48.1	179.3	-71	176.8	179.2	0	0	111.9	G186 L187 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.36Å; G186-E190 PolarHBondContact O-N 2.77Å; L187-E190 PolarHBondContact O-N 2.86Å; E190-R193 PolarHBondContact O-N 2.71Å; E190-R194 PolarHBondContact O-N 3.34Å
191	W	98.1	Very high	97.3	Very high	73 Å²	73	63.7 Å²	63.7	28%	0.277	30%	0.299	S	S	.	.	H	α-helix	trans	-66.1	-43.7	178.2	-81.9	113	0	0	0	112.3	M29 Y83 L187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.41Å; Y83-W191 AromaticContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CZ2 4.11Å; Y83-W191 AromaticContact CD2-CZ3 4Å; Y83-W191 HydrophobicContact CD2-CZ3 4Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CZ2 4.37Å; Y83-W191 AromaticContact CE2-CZ3 4Å; Y83-W191 HydrophobicContact CE2-CZ3 4Å; L187-W191 WeakPolarHBondContact O-CB 3.19Å; L187-W191 PolarHBondContact O-N 2.87Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.87Å; W191-R194 WeakPolarHBondContact O-CB 3.43Å; W191-R194 PolarHBondContact O-N 3.44Å; W191-R194 VanDerWaalsContact O-N 3.16Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CD2-CE1 4.49Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE1 3.43Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE2 4.34Å; W191-Y195 AromaticContact CE3-CZ 3.42Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.42Å; W191-Y195 AromaticContact CZ3-CE1 3.83Å; W191-Y195 HydrophobicContact CZ3-CE1 3.83Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 PolarHBondContact O-N 3.12Å
192	L	98.4	Very high	97	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-44.1	177.3	175.2	51.1	0	0	0	111.4	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.49Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.4Å; M29-L192 HydrophobicContact SD-CB 4.45Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; L127-L192 HydrophobicContact CD1-CB 4.26Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.25Å; C188-L192 VanDerWaalsContact O-CB 3.29Å; C188-L192 WeakPolarHBondContact O-CB 3.41Å; C188-L192 PolarHBondContact O-N 3.46Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.92Å; L192-Y195 PolarHBondContact O-N 2.78Å; L192-L196 HydrophobicContact CD1-CD1 3.85Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 2.96Å
193	R	97.3	Very high	96.7	Very high	120 Å²	120	57.8 Å²	57.8	45%	0.453	27%	0.267	S	S	.	.	H	α-helix	trans	-59.8	-43.9	174.4	-73	175.3	-175.4	156.3	-0.3	112.2	L127 G131 V189 E190 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 4Å; G131-R193 VanDerWaalsContact O-CZ 3.27Å; G131-R193 PolarHBondContact O-NE 3.02Å; G131-R193 PolarHBondContact O-NH2 3.45Å; V189-R193 VanDerWaalsContact CG1-CZ 3.41Å; V189-R193 WeakPolarHBondContact O-CG 3.35Å; V189-R193 PolarHBondContact O-N 3Å; E190-R193 PolarHBondContact O-N 2.71Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.87Å; R193-L196 PolarHBondContact O-N 3.31Å; R193-E197 PolarHBondContact O-N 3.11Å
194	R	97.4	Very high	96.4	Very high	123 Å²	123	59.5 Å²	59.5	46%	0.464	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-45	176.2	178.5	179.1	174.2	117.1	-5.4	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.42Å; E79-R194 IonicContact OE1-NE 3.01Å; E79-R194 PolarHBondContact OE1-NE 3.19Å; E79-R194 IonicContact OE1-NH2 3.19Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 3.53Å; E79-R194 IonicContact OE2-NE 3.76Å; E79-R194 IonicContact OE2-NH2 2.74Å; E79-R194 PolarHBondContact OE2-NH2 2.98Å; E190-R194 PolarHBondContact O-N 3.34Å; W191-R194 WeakPolarHBondContact O-CB 3.43Å; W191-R194 PolarHBondContact O-N 3.44Å; W191-R194 VanDerWaalsContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.92Å; R194-E197 PolarHBondContact O-N 3.4Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 2.65Å; R194-N198 PolarHBondContact O-OD1 3Å
195	Y	97.9	Very high	96.2	Very high	1 Å²	1	65.1 Å²	65.1	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-39.3	178.9	-61.5	-26.1	0	0	0	112.5	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; V52-Y195 HydrophobicContact CG2-CG 4.49Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.27Å; F57-Y195 AromaticContact CE2-CE2 3.66Å; F57-Y195 HydrophobicContact CE2-CE2 3.66Å; F57-Y195 AromaticContact CE2-CZ 3.99Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å; W75-Y195 HydrophobicContact CH2-CG 4.23Å; W75-Y195 AromaticContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD2 4.39Å; W75-Y195 AromaticContact CZ3-CG 3.7Å; W75-Y195 HydrophobicContact CZ3-CG 3.7Å; I76-Y195 HydrophobicContact CD1-CD1 3.81Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 2.76Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CD2-CE1 4.49Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE1 3.43Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE2 4.34Å; W191-Y195 AromaticContact CE3-CZ 3.42Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.42Å; W191-Y195 AromaticContact CZ3-CE1 3.83Å; W191-Y195 HydrophobicContact CZ3-CE1 3.83Å; W191-Y195 WeakPolarHBondContact O-CD2 3.43Å; W191-Y195 PolarHBondContact O-N 3.12Å; L192-Y195 PolarHBondContact O-N 2.78Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.23Å; Y195-N198 PolarHBondContact O-N 2.64Å; Y195-G199 WeakPolarHBondContact O-CA 3.14Å; Y195-G199 PolarHBondContact O-N 2.83Å; Y195-L203 WeakPolarHBondContact O-CD1 3.22Å
196	L	96.8	Very high	96	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-36.2	174.8	-71.6	169.6	0	0	0	112.5	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.69Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.42Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.85Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.47Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 2.96Å; R193-L196 PolarHBondContact O-N 3.31Å; L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 WeakPolarHBondContact O-CB 3.38Å; L196-K200 PolarHBondContact O-N 3.01Å; L196-K200 VanDerWaalsContact O-N 3.1Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 HydrophobicContact CD2-CG 4.46Å; L196-Q204 PolarHBondContact O-NE2 2.7Å
197	E	96.4	Very high	96	Very high	123 Å²	123	63.2 Å²	63.2	58%	0.575	29%	0.29	S	S	*	.	H	α-helix	trans	-72	-49.4	174.8	-172.5	58.9	-153.1	0	0	111	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.11Å; R194-E197 PolarHBondContact O-N 3.4Å; Y195-E197 VanDerWaalsContact C-N 3.31Å; Y195-E197 PolarHBondContact O-N 3.23Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.39Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 2.92Å
198	N	97	Very high	96	Very high	50 Å²	50	62.1 Å²	62.1	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-57.8	-39.4	178	-77.9	1.7	0	0	0	112.8	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.39Å; Q78-N198 PolarHBondContact NE2-ND2 3.16Å; E79-N198 PolarHBondContact OE1-ND2 2.9Å; R194-N198 VanDerWaalsContact O-CB 3.25Å; R194-N198 WeakPolarHBondContact O-CB 3.49Å; R194-N198 PolarHBondContact O-N 2.65Å; R194-N198 PolarHBondContact O-OD1 3Å; Y195-N198 PolarHBondContact O-N 2.64Å
199	G	96	Very high	96	Very high	2 Å²	2	62.6 Å²	62.6	2%	0.021	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	14.5	-176.4	0	0	0	0	0	114.2	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.14Å; Y195-G199 PolarHBondContact O-N 2.83Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.39Å; G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 2.78Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.49Å; G199-T202 WeakPolarHBondContact O-CA 3.3Å; G199-T202 PolarHBondContact O-N 3.15Å; G199-T202 PolarHBondContact O-OG1 3.12Å; G199-L203 PolarHBondContact O-N 3.27Å
200	K	94.3	Very high	96	Very high	107 Å²	107	69.8 Å²	69.8	47%	0.465	32%	0.322	S	S	.	.	H	α-helix	trans	-49.4	-44.2	-169	-178.1	173.5	-174.7	172.9	0	115	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 WeakPolarHBondContact O-CB 3.38Å; L196-K200 PolarHBondContact O-N 3.01Å; L196-K200 VanDerWaalsContact O-N 3.1Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 2.92Å; K200-T202 PolarHBondContact O-N 3.06Å; K200-T202 VanDerWaalsContact O-N 3.17Å; K200-Q204 PolarHBondContact O-N 3.39Å
201	E	92.1	Very high	96	Very high	170 Å²	170	65.9 Å²	65.9	79%	0.794	31%	0.307	S	S	*	.	H	α-helix	trans	-62.5	-23.7	179.5	-61.9	-171.9	162	0	0	113.4	G199 R205	G199-E201 VanDerWaalsContact C-N 3.32Å; G199-E201 PolarHBondContact O-N 2.78Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 WeakPolarHBondContact O-CB 3.44Å
202	T	92.3	Very high	96	Very high	44 Å²	44	66.3 Å²	66.3	27%	0.27	31%	0.311	S	S	.	.	H	α-helix	trans	-100.2	-69.8	177	56.6	0	0	0	0	110.4	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.49Å; G199-T202 WeakPolarHBondContact O-CA 3.3Å; G199-T202 PolarHBondContact O-N 3.15Å; G199-T202 PolarHBondContact O-OG1 3.12Å; K200-T202 PolarHBondContact O-N 3.06Å; K200-T202 VanDerWaalsContact O-N 3.17Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 2.84Å; T202-R205 WeakPolarHBondContact O-CB 3.49Å; T202-R205 PolarHBondContact O-N 3.08Å; T202-R263 VanDerWaalsContact C-NH2 3.26Å; T202-R263 VanDerWaalsContact CA-NH1 3.26Å; T202-R263 VanDerWaalsContact O-CZ 3.32Å; T202-R263 PolarHBondContact O-NH1 3.27Å; T202-R263 PolarHBondContact O-NH2 2.79Å
203	L	93.4	Very high	96	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-34.4	-167.8	-61.9	171.8	0	0	0	114.1	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.32Å; W75-L203 HydrophobicContact CZ2-CD1 3.83Å; W75-L203 HydrophobicContact CZ2-CD2 4.11Å; W75-L203 HydrophobicContact CZ2-CG 4.38Å; Y195-L203 WeakPolarHBondContact O-CD1 3.22Å; L196-L203 HydrophobicContact CD2-CB 4.09Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 PolarHBondContact O-N 3.27Å; L203-R205 VanDerWaalsContact C-N 3.35Å
204	Q	91.8	Very high	95.9	Very high	92 Å²	92	63.3 Å²	63.3	43%	0.43	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	10.8	-180	-58.7	-179.3	37.3	0	0	112.9	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.46Å; L196-Q204 PolarHBondContact O-NE2 2.7Å; K200-Q204 PolarHBondContact O-N 3.39Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 2.84Å
205	R	93.1	Very high	95.9	Very high	121 Å²	121	60 Å²	60	46%	0.457	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-103.5	117.4	176	-169	-176.3	79.6	-151.4	2.4	110	E201 T202 L203 D207 Y233	E201-R205 WeakPolarHBondContact O-CB 3.44Å; T202-R205 WeakPolarHBondContact O-CB 3.49Å; T202-R205 PolarHBondContact O-N 3.08Å; L203-R205 VanDerWaalsContact C-N 3.35Å; R205-D207 IonicContact CZ-OD1 3.11Å; R205-D207 IonicContact CZ-OD2 3.65Å; R205-D207 IonicContact NE-OD1 3.71Å; R205-D207 PolarHBondContact NE-OD1 3.3Å; R205-D207 IonicContact NE-OD2 2.65Å; R205-D207 IonicContact NH2-OD1 2.64Å; R205-D207 IonicContact NH2-OD2 3.89Å; R205-D207 PolarHBondContact NH2-OD2 2.91Å; R205-Y233 WeakPolarHBondContact O-CD1 2.93Å
206	A	95	Very high	95.7	Very high	32 Å²	32	63.9 Å²	63.9	26%	0.264	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-87.9	124.8	167.4	0	0	0	0	0	110.1	Y233 E288	A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.24Å; A206-E288 HydrophobicContact CB-CG 4.44Å
207	D	96.4	Very high	95.6	Very high	38 Å²	38	67.9 Å²	67.9	20%	0.203	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-99	117	175.7	-67.5	-33	0	0	0	107.9	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.11Å; R205-D207 IonicContact CZ-OD2 3.65Å; R205-D207 IonicContact NE-OD1 3.71Å; R205-D207 PolarHBondContact NE-OD1 3.3Å; R205-D207 IonicContact NE-OD2 2.65Å; R205-D207 IonicContact NH2-OD1 2.64Å; R205-D207 IonicContact NH2-OD2 3.89Å; R205-D207 PolarHBondContact NH2-OD2 2.91Å; D207-F232 CarbonylContact O-C 3.54Å; D207-F232 WeakPolarHBondContact O-CA 3.42Å; D207-F232 WeakPolarHBondContact O-CB 3.4Å; D207-Y233 PolarHBondContact N-O 3.42Å; D207-Y233 PolarHBondContact O-N 2.85Å; D207-H287 PolarHBondContact O-CE1 3.01Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å
208	P	97.6	Very high	95.3	Very high	65 Å²	65	66.5 Å²	66.5	42%	0.422	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-70.5	150.2	-176.3	25.1	-32.7	0	0	0	112.8	K210 L290	P208-K210 PolarHBondContact O-N 2.84Å; P208-L290 HydrophobicContact CB-CD2 3.88Å; P208-L290 HydrophobicContact CB-CG 4.42Å
209	P	98.3	Very high	95.1	Very high	9 Å²	9	66.7 Å²	66.7	6%	0.058	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-68.9	133.3	179.3	28.8	-35.4	0	0	0	112.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 2.87Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.12Å; P209-I237 HydrophobicContact CB-CD1 3.96Å; P209-I237 HydrophobicContact CG-CD1 4Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.06Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	98.4	Very high	94.7	Very high	158 Å²	158	73.9 Å²	73.9	69%	0.687	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	112.9	163.2	-63.2	173.4	-173.2	169.9	0	107.8	P208 L230	P208-K210 PolarHBondContact O-N 2.84Å; K210-L230 PolarHBondContact N-O 2.75Å; K210-L230 PolarHBondContact O-N 3.34Å
211	T	98.2	Very high	94.7	Very high	37 Å²	37	75.7 Å²	75.7	23%	0.227	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.5	-171.7	51.6	0	0	0	0	112.1	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 2.87Å; T211-W228 WeakPolarHBondContact CA-O 3.24Å; T211-A229 HydrophobicContact CG2-CB 4.24Å; T211-V285 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; T211-L294 HydrophobicContact CG2-CD1 4.38Å; T211-L296 HydrophobicContact CG2-CD1 4.46Å
212	H	97.4	Very high	94.8	Very high	82 Å²	82	72.1 Å²	72.1	38%	0.38	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	159.2	172.3	63.5	-74.8	0	0	0	110.4	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.38Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 2.92Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.87Å
213	V	98.2	Very high	95	Very high	22 Å²	22	70 Å²	70	13%	0.133	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.4	176.1	-179.3	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.38Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; V213-R226 WeakPolarHBondContact CA-O 3.46Å; V213-C227 HydrophobicContact CG2-CB 4.43Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; V213-L296 HydrophobicContact CG2-CB 3.81Å; V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.83Å
214	T	96.8	Very high	95.2	Very high	35 Å²	35	70.9 Å²	70.9	22%	0.215	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	146.8	174.2	50.4	0	0	0	0	110.3	H216 L225 R226 W228	T214-H216 VanDerWaalsContact CB-CE1 3.5Å; T214-H216 WeakPolarHBondContact CB-CE1 3.45Å; T214-H216 PolarHBondContact OG1-CE1 2.8Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; T214-R226 PolarHBondContact N-O 2.77Å; T214-R226 PolarHBondContact O-N 2.64Å; T214-R226 WeakPolarHBondContact OG1-CB 3.41Å; T214-R226 PolarHBondContact OG1-O 3.03Å; T214-R226 VanDerWaalsContact OG1-O 3.12Å; T214-W228 PolarHBondContact OG1-NE1 3.04Å; T214-W228 VanDerWaalsContact OG1-NE1 3.16Å
215	H	96.1	Very high	95.5	Very high	54 Å²	54	66.5 Å²	66.5	25%	0.25	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.5	-179.1	168.9	-91.8	0	0	0	109.6	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.36Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-E278 IonicContact NE2-OE1 2.7Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 4.01Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact CG-NE1 4Å; H215-W298 AromaticContact ND1-CZ2 3.95Å
216	H	94.6	Very high	95.7	Very high	82 Å²	82	63.2 Å²	63.2	38%	0.38	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	105.4	-179	-57.5	84.1	0	0	0	108.9	T214 V218 A223 T224 R226	T214-H216 VanDerWaalsContact CB-CE1 3.5Å; T214-H216 WeakPolarHBondContact CB-CE1 3.45Å; T214-H216 PolarHBondContact OG1-CE1 2.8Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; H216-V218 PolarHBondContact O-N 3.39Å; H216-A223 CarbonylContact O-C 3.54Å; H216-A223 WeakPolarHBondContact O-CA 3.47Å; H216-T224 PolarHBondContact N-O 3.42Å; H216-T224 PolarHBondContact O-N 3.08Å; H216-R226 PolarHBondContact CE1-NH1 2.82Å
217	P	93.8	Very high	95.9	Very high	99 Å²	99	61.7 Å²	61.7	64%	0.643	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	131.4	172.8	-20.4	30.7	0	0	0	110.6
218	V	90.9	Very high	96	Very high	94 Å²	94	62.2 Å²	62.2	57%	0.57	32%	0.323	S	S	*	.			trans	-104.3	-40.6	175.7	-178.8	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.39Å; V218-E222 PolarHBondContact N-O 3.14Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.42Å
219	S	91.6	Very high	96.1	Very high	54 Å²	54	59.1 Å²	59.1	38%	0.378	30%	0.303	S	S	.	.	S	Bend	trans	-147.8	-178.5	174.8	71.9	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 2.95Å; S219-H221 PolarHBondContact OG-N 2.74Å; S219-E222 PolarHBondContact N-O 3.16Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.8Å
220	D	89.4	Confident	96.1	Very high	152 Å²	152	61.2 Å²	61.2	81%	0.813	31%	0.314	S	S	*	.	S	Bend	trans	-66.5	-9.8	172.5	-65.6	-21.5	0	0	0	113.3
221	H	93	Very high	96	Very high	145 Å²	145	54.9 Å²	54.9	67%	0.671	29%	0.293	S	S	*	.	S	Bend	trans	-116.1	-16.4	-175.6	-56	-42.8	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 2.95Å; S219-H221 PolarHBondContact OG-N 2.74Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.37Å; H221-S275 PolarHBondContact O-N 2.97Å; H221-S275 PolarHBondContact O-OG 2.85Å
222	E	95.1	Very high	96	Very high	95 Å²	95	53.1 Å²	53.1	44%	0.444	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.4	-171.5	-66.6	-179.3	169.4	0	0	112.2	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.14Å; S219-E222 PolarHBondContact N-O 3.16Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.8Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; E222-V273 WeakPolarHBondContact CA-O 3.35Å; E222-S275 PolarHBondContact N-OG 2.94Å
223	A	95.9	Very high	96	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.4	171.3	0	0	0	0	0	110.8	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.36Å; H216-A223 CarbonylContact O-C 3.54Å; H216-A223 WeakPolarHBondContact O-CA 3.47Å; A223-V272 WeakPolarHBondContact O-CA 3.21Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 3.42Å; A223-V273 PolarHBondContact O-N 3.15Å
224	T	97.5	Very high	95.9	Very high	21 Å²	21	49.3 Å²	49.3	13%	0.129	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.7	170.7	-54.5	0	0	0	0	109.6	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.42Å; H216-T224 PolarHBondContact O-N 3.08Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.42Å; T224-A270 HydrophobicContact CG2-CB 3.91Å; T224-V271 WeakPolarHBondContact CA-O 3.28Å
225	L	98.1	Very high	95.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.5	165.2	-63.5	-175.4	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.38Å; V213-L225 HydrophobicContact CG1-CD2 4.4Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.35Å; L225-V271 PolarHBondContact O-N 2.92Å; 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 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.31Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 3.97Å
226	R	98.3	Very high	95.9	Very high	52 Å²	52	50.4 Å²	50.4	20%	0.196	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.9	176.2	-177	-179.1	-63.5	114.9	2.9	110.3	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.46Å; T214-R226 PolarHBondContact N-O 2.77Å; T214-R226 PolarHBondContact O-N 2.64Å; T214-R226 WeakPolarHBondContact OG1-CB 3.41Å; T214-R226 PolarHBondContact OG1-O 3.03Å; T214-R226 VanDerWaalsContact OG1-O 3.12Å; H216-R226 PolarHBondContact CE1-NH1 2.82Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.37Å; R226-A270 HydrophobicContact CB-CB 4.06Å; R226-A270 HydrophobicContact CG-CB 4.14Å
227	C	98.4	Very high	96	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.1	175.1	-173.4	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.43Å; C227-W241 HydrophobicContact CB-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.46Å; C227-W268 WeakPolarHBondContact O-CA 3.29Å; C227-W268 WeakPolarHBondContact O-CB 3.21Å; C227-A269 PolarHBondContact N-O 3.04Å; C227-A269 PolarHBondContact O-N 3.05Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.41Å; C227-C283 WeakPolarHBondContact SG-CB 3.07Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.48Å
228	W	98.5	Very high	96.2	Very high	49 Å²	49	45 Å²	45	19%	0.186	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.1	-179.9	-69.3	89.6	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.24Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.38Å; H212-W228 AromaticContact CE1-CD1 3.92Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 2.92Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.87Å; T214-W228 PolarHBondContact OG1-NE1 3.04Å; T214-W228 VanDerWaalsContact OG1-NE1 3.16Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.92Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.49Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.21Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.71Å; W228-W268 HydrophobicContact CH2-CG 4.34Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.44Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.44Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å
229	A	98.6	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.9	162.5	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.24Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.35Å; A229-I237 HydrophobicContact CB-CD1 3.61Å; A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.5Å; A229-K267 PolarHBondContact N-O 3Å; A229-K267 PolarHBondContact O-N 3.29Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.4	Very high	96.8	Very high	53 Å²	53	40.2 Å²	40.2	28%	0.277	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.9	-174.4	-59	176.9	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.75Å; K210-L230 PolarHBondContact O-N 3.34Å; W228-L230 HydrophobicContact CE3-CD2 3.92Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; L230-F232 PolarHBondContact O-N 3.2Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	97.9	Very high	97.2	Very high	25 Å²	25	33 Å²	33	26%	0.258	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.9	28.9	167.4	0	0	0	0	0	114.2	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.28Å; G231-F265 PolarHBondContact N-O 3.2Å
232	F	98.1	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	155.3	-178.7	59.9	-89.3	0	0	0	112.8	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.54Å; D207-F232 WeakPolarHBondContact O-CA 3.42Å; D207-F232 WeakPolarHBondContact O-CB 3.4Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.89Å; P209-F232 HydrophobicContact CB-CG 4.12Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.35Å; L230-F232 PolarHBondContact O-N 3.2Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 4.02Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.36Å; F232-I237 HydrophobicContact CE2-CB 3.71Å; F232-I237 HydrophobicContact CE2-CD1 3.96Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.54Å; F232-I237 HydrophobicContact CG-CD1 4.02Å; F232-I237 HydrophobicContact CZ-CB 4.05Å; F232-I237 HydrophobicContact CZ-CD1 3.87Å; F232-I237 HydrophobicContact CZ-CG2 3.46Å; F232-I237 VanDerWaalsContact CZ-CG2 3.46Å; F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.96Å; F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.28Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.43Å; F232-F265 HydrophobicContact CD2-CB 3.98Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.43Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 3.17Å; F232-F265 PolarHBondContact O-N 3.26Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; F232-H287 AromaticContact CD2-CD2 3.79Å; F232-H287 AromaticContact CD2-NE2 3.65Å
233	Y	96.8	Very high	97.6	Very high	4 Å²	4	27 Å²	27	2%	0.016	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-149.2	137.1	171.6	178.3	-81.7	0	0	0	108.7	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.99Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.2Å; T55-Y233 PolarHBondContact OG1-OH 2.86Å; R205-Y233 WeakPolarHBondContact O-CD1 2.93Å; A206-Y233 CarbonylContact C-O 3.53Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.24Å; D207-Y233 PolarHBondContact N-O 3.42Å; D207-Y233 PolarHBondContact O-N 2.85Å; Y233-R263 HydrophobicContact CD2-CG 3.82Å; Y233-R263 HydrophobicContact CE2-CG 4.01Å; Y233-F265 HydrophobicContact CD2-CE2 4.11Å; Y233-H287 PolarHBondContact O-CE1 3.26Å
234	P	96.1	Very high	97.6	Very high	20 Å²	20	31.7 Å²	31.7	13%	0.13	17%	0.165	C	C	.	.	S	Bend	cis	-72.4	179.5	2.5	30.7	-36.6	0	0	0	113.3	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.26Å; D54-P234 WeakPolarHBondContact OD2-CB 3.42Å; F232-P234 WeakPolarHBondContact CD2-O 3.33Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.45Å; P234-H287 PolarHBondContact O-NE2 3.32Å
235	A	97	Very high	97.3	Very high	15 Å²	15	33 Å²	33	12%	0.124	18%	0.182	C	C	.	.	S	Bend	trans	-69.4	-26.4	-176	0	0	0	0	0	113.5	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.17Å; D54-A235 PolarHBondContact OD2-N 2.99Å; A235-I237 PolarHBondContact O-N 2.91Å; A235-T257 HydrophobicContact CB-CG2 4.37Å; A235-T257 WeakPolarHBondContact O-CG2 3.49Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.64Å; A235-F265 HydrophobicContact CB-CG 3.77Å; A235-F265 HydrophobicContact CB-CZ 3.64Å
236	E	96.3	Very high	97.2	Very high	97 Å²	97	39.8 Å²	39.8	45%	0.453	21%	0.214	S	C	.	.			trans	-61.9	123.4	176.6	-171.5	79.1	-170	0	0	110.1	W23 P234 H287	W23-E236 HydrophobicContact CE3-CB 4.14Å; W23-E236 HydrophobicContact CE3-CG 3.91Å; W23-E236 HydrophobicContact CH2-CB 4.08Å; W23-E236 HydrophobicContact CH2-CG 3.22Å; W23-E236 WeakPolarHBondContact CH2-OE1 3.34Å; W23-E236 HydrophobicContact CZ2-CG 3.98Å; W23-E236 HydrophobicContact CZ3-CB 3.53Å; W23-E236 HydrophobicContact CZ3-CG 3.19Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.45Å; E236-H287 PolarHBondContact O-CD2 3.2Å
237	I	97	Very high	97	Very high	11 Å²	11	42 Å²	42	6%	0.056	23%	0.23	C	C	.	.			trans	-153.1	144.6	174	-166.4	168.1	0	0	0	109.4	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.96Å; P209-I237 HydrophobicContact CG-CD1 4Å; A229-I237 HydrophobicContact CB-CD1 3.61Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 4.02Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.36Å; F232-I237 HydrophobicContact CE2-CB 3.71Å; F232-I237 HydrophobicContact CE2-CD1 3.96Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.54Å; F232-I237 HydrophobicContact CG-CD1 4.02Å; F232-I237 HydrophobicContact CZ-CB 4.05Å; F232-I237 HydrophobicContact CZ-CD1 3.87Å; F232-I237 HydrophobicContact CZ-CG2 3.46Å; F232-I237 VanDerWaalsContact CZ-CG2 3.46Å; A235-I237 PolarHBondContact O-N 2.91Å; I237-L239 HydrophobicContact CB-CD1 4.43Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.58Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.17Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-V285 HydrophobicContact CD1-CG1 3.96Å; I237-V285 HydrophobicContact CG1-CG1 4.27Å; I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; I237-H287 HydrophobicContact CD1-CB 4.32Å; I237-H287 HydrophobicContact CG1-CB 4.13Å
238	T	97.5	Very high	96.8	Very high	57 Å²	57	43.1 Å²	43.1	35%	0.35	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.5	172.6	-61.7	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.07Å; T238-V285 WeakPolarHBondContact O-CA 3.32Å; T238-Q286 PolarHBondContact N-O 2.81Å; T238-Q286 PolarHBondContact O-N 2.94Å
239	L	97.8	Very high	96.4	Very high	7 Å²	7	46 Å²	46	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.7	172.5	-86.9	63	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; I237-L239 HydrophobicContact CB-CD1 4.43Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.58Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.37Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.47Å; L239-A269 HydrophobicContact CB-CB 4.02Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.03Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.6	Very high	95.9	Very high	40 Å²	40	55.1 Å²	55.1	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.9	178.4	47.9	0	0	0	0	110.9	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.07Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 2.98Å; T240-H284 PolarHBondContact N-O 3.07Å; T240-H284 PolarHBondContact O-N 3.29Å; T240-H284 WeakPolarHBondContact OG1-CB 3.24Å
241	W	98.3	Very high	95.4	Very high	2 Å²	2	58 Å²	58	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.8	170	-82.8	106	0	0	0	109.8	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; C227-W241 HydrophobicContact CB-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.47Å; W241-A269 PolarHBondContact NE1-O 3.26Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CB 4.49Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.03Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.79Å; W241-V271 HydrophobicContact CZ2-CG1 4.35Å; W241-T282 WeakPolarHBondContact CA-O 3.22Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å
242	Q	97.9	Very high	95.2	Very high	42 Å²	42	58 Å²	58	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.4	171.5	-69.1	-173.1	-8.7	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.3Å; Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 3.07Å; Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.35Å; Q242-T282 PolarHBondContact N-O 3.23Å; Q242-T282 PolarHBondContact O-N 3.21Å; Q242-H284 PolarHBondContact OE1-NE2 3.49Å
243	R	97.4	Very high	95.1	Very high	71 Å²	71	63.3 Å²	63.3	27%	0.268	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.7	168.5	-176.4	-172.5	-175.7	179.8	-0.1	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.86Å; R243-E246 PolarHBondContact N-O 3.22Å; R243-E246 PolarHBondContact O-N 3.01Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; R243-E277 IonicContact CZ-OE2 3.51Å; R243-E277 IonicContact NE-OE2 3.71Å; R243-E277 IonicContact NH2-OE1 3.75Å; R243-E277 IonicContact NH2-OE2 2.66Å; R243-E277 PolarHBondContact NH2-OE2 3.09Å; R243-R280 WeakPolarHBondContact CA-O 3.35Å; R243-R280 HydrophobicContact CG-CB 4.39Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.42Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.07Å
244	D	95.4	Very high	95.1	Very high	100 Å²	100	67.3 Å²	67.3	54%	0.535	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	28.7	-175.1	-53.6	-50.2	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.4Å; D244-R280 IonicContact OD1-NE 3.41Å; D244-R280 PolarHBondContact OD1-NE 3.34Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.81Å; D244-R280 PolarHBondContact OD2-NE 2.84Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 3.45Å
245	G	91.6	Very high	95.1	Very high	48 Å²	48	68 Å²	68	50%	0.495	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-1	-177.5	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 2.86Å
246	E	95.6	Very high	95.1	Very high	143 Å²	143	74.9 Å²	74.9	67%	0.668	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.3	176.2	-62.9	-173.3	169.2	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.59Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.3Å; R243-E246 PolarHBondContact N-O 3.22Å; R243-E246 PolarHBondContact O-N 3.01Å; E246-Q248 PolarHBondContact O-NE2 2.8Å
247	D	95.2	Very high	95.2	Very high	97 Å²	97	72.3 Å²	72.3	52%	0.519	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	134.1	-179.4	-69.1	-22.6	0	0	0	112.4	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.22Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 3.07Å
248	Q	94.9	Very high	95.2	Very high	25 Å²	25	76.4 Å²	76.4	12%	0.117	40%	0.396	C	S	.	.			trans	-104.5	38.2	-177.8	-57.8	-61.3	-71.8	0	0	112.1	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.47Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; E246-Q248 PolarHBondContact O-NE2 2.8Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.78Å; Q248-D251 PolarHBondContact O-N 3.17Å; Q248-T252 WeakPolarHBondContact O-CB 3.26Å; Q248-T252 PolarHBondContact O-N 2.84Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 2.88Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å
249	T	88.8	Confident	95.2	Very high	108 Å²	108	78.2 Å²	78.2	66%	0.663	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-36.5	-168.7	-46.7	0	0	0	0	114
250	Q	88.8	Confident	95.1	Very high	193 Å²	193	80.3 Å²	80.3	90%	0.902	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-31.3	-178.6	-66.3	-174.1	7.7	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.78Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	87.1	Confident	94.9	Very high	112 Å²	112	82.1 Å²	82.1	60%	0.599	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	0.5	-177.6	-56.5	-52.9	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.17Å
252	T	94.3	Very high	94.6	Very high	25 Å²	25	87.2 Å²	87.2	15%	0.153	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.2	179.8	-63.7	0	0	0	0	110.8	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.26Å; Q248-T252 PolarHBondContact O-N 2.84Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 2.88Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.15Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å
253	E	96.6	Very high	94.4	Very high	113 Å²	113	88 Å²	88	53%	0.528	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	106.8	163.1	-174	-173.8	-171.8	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.17Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.46Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.94Å; E253-A270 PolarHBondContact O-N 2.82Å
254	L	96.4	Very high	94.3	Very high	88 Å²	88	85.5 Å²	85.5	46%	0.461	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.9	177.6	-174	67.3	0	0	0	109.7	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.15Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
255	V	96.5	Very high	94.5	Very high	33 Å²	33	82 Å²	82	20%	0.2	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-84.9	153.8	175	-65.2	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 VanDerWaalsContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CE 3.49Å; V255-K267 WeakPolarHBondContact O-CG 3.16Å; V255-K267 PolarHBondContact O-NZ 3.43Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.25Å; V255-W268 HydrophobicContact CG1-CH2 3.54Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.05Å; V255-W268 HydrophobicContact CG2-CD2 3.72Å; V255-W268 HydrophobicContact CG2-CE3 4.44Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.36Å; V255-W268 WeakPolarHBondContact CG2-O 3.39Å; V255-W268 PolarHBondContact N-O 2.8Å
256	E	96.6	Very high	94.8	Very high	160 Å²	160	81.8 Å²	81.8	75%	0.748	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-57.5	146.8	168.3	-68.5	-56.8	155.1	0	0	111.9	R258	E256-R258 PolarHBondContact O-N 2.89Å
257	T	97.8	Very high	95	Very high	43 Å²	43	75.7 Å²	75.7	26%	0.264	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-67.1	129.3	174.1	-56.4	0	0	0	0	108.4	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.16Å; F232-T257 HydrophobicContact CZ-CG2 3.96Å; A235-T257 HydrophobicContact CB-CG2 4.37Å; A235-T257 WeakPolarHBondContact O-CG2 3.49Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; T257-K267 WeakPolarHBondContact OG1-CD 3.38Å; T257-K267 PolarHBondContact OG1-NZ 3.42Å
258	R	97.4	Very high	95.1	Very high	97 Å²	97	72.3 Å²	72.3	37%	0.366	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.2	-175.1	68.8	-168.6	-178.4	-169	2.3	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.89Å; R258-F265 WeakPolarHBondContact O-CA 3.39Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.82Å; R258-Q266 WeakPolarHBondContact O-CG 3.2Å; R258-Q266 PolarHBondContact O-N 2.94Å
259	P	97.2	Very high	95.3	Very high	95 Å²	95	71.1 Å²	71.1	62%	0.617	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	144.9	177.9	28.9	-34.7	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.26Å
260	A	96.4	Very high	95.7	Very high	52 Å²	52	66 Å²	66	43%	0.43	36%	0.356	S	S	.	.			trans	-88.9	-16	172.5	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.46Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.06Å; A260-T264 PolarHBondContact N-O 2.81Å
261	G	92.9	Very high	96.1	Very high	77 Å²	77	57 Å²	57	79%	0.794	31%	0.314	S	S	*	.	S	Bend	trans	96.3	-4.9	179.6	0	0	0	0	0	114.6
262	D	92.7	Very high	96.6	Very high	110 Å²	110	55.2 Å²	55.2	59%	0.588	31%	0.307	S	S	*	.	S	Bend	trans	-116.6	32.3	-179.7	65	-6.1	0	0	0	111.8	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.46Å; D262-T264 PolarHBondContact O-N 3.24Å; D262-T264 WeakPolarHBondContact OD1-CB 3.34Å; D262-T264 PolarHBondContact OD1-N 3.02Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3.26Å
263	R	92.2	Very high	96.7	Very high	59 Å²	59	54 Å²	54	22%	0.223	30%	0.3	C	S	.	.	S	Bend	trans	72.8	-20.1	-169.3	179.6	-176	167.2	-140	-14.5	115	T202 Y233 F265	T202-R263 VanDerWaalsContact C-NH2 3.26Å; T202-R263 VanDerWaalsContact CA-NH1 3.26Å; T202-R263 VanDerWaalsContact O-CZ 3.32Å; T202-R263 PolarHBondContact O-NH1 3.27Å; T202-R263 PolarHBondContact O-NH2 2.79Å; Y233-R263 HydrophobicContact CD2-CG 3.82Å; Y233-R263 HydrophobicContact CE2-CG 4.01Å; R263-F265 WeakPolarHBondContact O-CE2 3.35Å
264	T	97.1	Very high	96.7	Very high	17 Å²	17	50.9 Å²	50.9	10%	0.104	29%	0.289	C	S	.	.			trans	-84.8	168	-179.2	76.3	0	0	0	0	112.9	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.28Å; F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.28Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.06Å; A260-T264 PolarHBondContact N-O 2.81Å; D262-T264 PolarHBondContact O-N 3.24Å; D262-T264 WeakPolarHBondContact OD1-CB 3.34Å; D262-T264 PolarHBondContact OD1-N 3.02Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3.26Å
265	F	98.4	Very high	96.6	Very high	26 Å²	26	49.4 Å²	49.4	11%	0.114	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	163.8	180	-64.3	-87.8	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.79Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; G231-F265 PolarHBondContact N-O 3.2Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.43Å; F232-F265 HydrophobicContact CD2-CB 3.98Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.43Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 VanDerWaalsContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 3.17Å; F232-F265 PolarHBondContact O-N 3.26Å; Y233-F265 HydrophobicContact CD2-CE2 4.11Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.64Å; A235-F265 HydrophobicContact CB-CG 3.77Å; A235-F265 HydrophobicContact CB-CZ 3.64Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.89Å; T257-F265 HydrophobicContact CG2-CG 4.11Å; R258-F265 WeakPolarHBondContact O-CA 3.39Å; P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.26Å; R263-F265 WeakPolarHBondContact O-CE2 3.35Å
266	Q	98.3	Very high	96.3	Very high	44 Å²	44	51 Å²	51	21%	0.206	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.4	174.6	42.5	167.6	-20.8	0	0	109.8	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.5Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.82Å; R258-Q266 WeakPolarHBondContact O-CG 3.2Å; R258-Q266 PolarHBondContact O-N 2.94Å
267	K	98.6	Very high	96.3	Very high	16 Å²	16	46 Å²	46	7%	0.07	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.9	176.9	-162.1	-177.3	-171.7	70.7	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3Å; A229-K267 PolarHBondContact O-N 3.29Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.17Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.37Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.47Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 VanDerWaalsContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CE 3.49Å; V255-K267 WeakPolarHBondContact O-CG 3.16Å; V255-K267 PolarHBondContact O-NZ 3.43Å; T257-K267 WeakPolarHBondContact OG1-CD 3.38Å; T257-K267 PolarHBondContact OG1-NZ 3.42Å
268	W	98.3	Very high	96.2	Very high	25 Å²	25	44.8 Å²	44.8	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.5	169.6	58.9	-99.2	0	0	0	111.4	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.89Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.46Å; C227-W268 WeakPolarHBondContact O-CA 3.29Å; C227-W268 WeakPolarHBondContact O-CB 3.21Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.49Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.21Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.71Å; W228-W268 HydrophobicContact CH2-CG 4.34Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.44Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.44Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å; E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.17Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.25Å; V255-W268 HydrophobicContact CG1-CH2 3.54Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.05Å; V255-W268 HydrophobicContact CG2-CD2 3.72Å; V255-W268 HydrophobicContact CG2-CE3 4.44Å; V255-W268 HydrophobicContact CG2-CG 3.71Å; V255-W268 HydrophobicContact CG2-CZ2 4.36Å; V255-W268 WeakPolarHBondContact CG2-O 3.39Å; V255-W268 PolarHBondContact N-O 2.8Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
269	A	98.3	Very high	96.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131	174	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.37Å; C227-A269 PolarHBondContact N-O 3.04Å; C227-A269 PolarHBondContact O-N 3.05Å; L239-A269 HydrophobicContact CB-CB 4.02Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 PolarHBondContact NE1-O 3.26Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.51Å; E253-A269 WeakPolarHBondContact O-CA 3.46Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
270	A	98	Very high	96	Very high	2 Å²	2	45 Å²	45	2%	0.017	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145	179.8	0	0	0	0	0	111.8	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.91Å; L225-A270 CarbonylContact O-C 3.57Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; R226-A270 HydrophobicContact CB-CB 4.06Å; R226-A270 HydrophobicContact CG-CB 4.14Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.94Å; E253-A270 PolarHBondContact O-N 2.82Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
271	V	97.8	Very high	96.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.3	175.6	63.9	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.28Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.35Å; L225-V271 PolarHBondContact O-N 2.92Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CB 4.49Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.03Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.79Å; W241-V271 HydrophobicContact CZ2-CG1 4.35Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.05Å
272	V	97.4	Very high	96.3	Very high	75 Å²	75	39.7 Å²	39.7	46%	0.455	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.4	171.5	-178.4	0	0	0	0	108.1	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.29Å; A223-V272 WeakPolarHBondContact O-CA 3.21Å
273	V	96.6	Very high	96.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.9	-175.6	-51.7	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.35Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 3.42Å; A223-V273 PolarHBondContact O-N 3.15Å; 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 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.4	Very high	96.9	Very high	47 Å²	47	33.4 Å²	33.4	31%	0.305	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	140.4	170	-20.1	32.2	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.37Å; P274-G276 PolarHBondContact O-N 3.36Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 WeakPolarHBondContact O-CB 3.47Å; P274-E277 PolarHBondContact O-N 2.84Å
275	S	92.9	Very high	96.9	Very high	57 Å²	57	32.6 Å²	32.6	40%	0.399	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	129.3	176.6	-62.7	0	0	0	0	111.2	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 2.97Å; H221-S275 PolarHBondContact O-OG 2.85Å; E222-S275 PolarHBondContact N-OG 2.94Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å
276	G	91.9	Very high	96.9	Very high	66 Å²	66	35.2 Å²	35.2	68%	0.68	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.3	-7.3	-176.7	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 3.36Å; G276-E278 WeakPolarHBondContact CA-OE2 3.49Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.01Å; G276-E278 PolarHBondContact N-OE2 3.28Å
277	E	95.6	Very high	96.8	Very high	54 Å²	54	33.9 Å²	33.9	25%	0.252	19%	0.187	S	C	.	.			trans	-99.3	3.4	176.3	-65.4	-159.5	-155.4	0	0	113.7	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.51Å; R243-E277 IonicContact NE-OE2 3.71Å; R243-E277 IonicContact NH2-OE1 3.75Å; R243-E277 IonicContact NH2-OE2 2.66Å; R243-E277 PolarHBondContact NH2-OE2 3.09Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 WeakPolarHBondContact O-CB 3.47Å; P274-E277 PolarHBondContact O-N 2.84Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 3.05Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 3.21Å; E277-R280 IonicContact OE1-NH1 3.75Å; E277-R280 IonicContact OE2-CZ 3.5Å; E277-R280 IonicContact OE2-NE 3.82Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 3.2Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.29Å
278	E	95.1	Very high	96.6	Very high	19 Å²	19	37.2 Å²	37.2	9%	0.089	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-57.1	-33	-170.6	-57.7	80.5	-176.7	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 2.7Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CB 4.48Å; L225-E278 HydrophobicContact CD2-CG 4.31Å; V273-E278 HydrophobicContact CG2-CG 3.91Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å; G276-E278 WeakPolarHBondContact CA-OE2 3.49Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.01Å; G276-E278 PolarHBondContact N-OE2 3.28Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.82Å; E278-Y281 PolarHBondContact O-N 3.36Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.86Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å
279	Q	95.3	Very high	96.4	Very high	94 Å²	94	37 Å²	37	44%	0.439	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-72.1	-16.2	-179.1	-63.2	-56.7	-46.2	0	0	114.1	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.05Å; Q279-R297 PolarHBondContact O-NE 3.43Å; Q279-W298 PolarHBondContact NE2-O 3.18Å
280	R	96.8	Very high	96.2	Very high	101 Å²	101	38.1 Å²	38.1	38%	0.381	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-75.9	-17.1	173	-63.2	173.9	67.6	178.6	5.8	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.35Å; R243-R280 HydrophobicContact CG-CB 4.39Å; D244-R280 PolarHBondContact N-O 3.4Å; D244-R280 IonicContact OD1-NE 3.41Å; D244-R280 PolarHBondContact OD1-NE 3.34Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.81Å; D244-R280 PolarHBondContact OD2-NE 2.84Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 3.45Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 3.21Å; E277-R280 IonicContact OE1-NH1 3.75Å; E277-R280 IonicContact OE2-CZ 3.5Å; E277-R280 IonicContact OE2-NE 3.82Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 3.2Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.82Å
281	Y	97.6	Very high	96	Very high	7 Å²	7	44.2 Å²	44.2	3%	0.027	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.9	-177.3	-69	-100.4	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.35Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.42Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.07Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å; V271-Y281 HydrophobicContact CG1-CD1 4.01Å; V271-Y281 HydrophobicContact CG1-CE1 4.41Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.05Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.39Å; E277-Y281 WeakPolarHBondContact O-CD2 3.29Å; E278-Y281 PolarHBondContact O-N 3.36Å
282	T	98.1	Very high	95.9	Very high	12 Å²	12	51.9 Å²	51.9	7%	0.074	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.9	176	47.4	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.22Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 3.23Å; Q242-T282 PolarHBondContact O-N 3.21Å; T282-H284 PolarHBondContact OG1-NE2 2.04Å; T282-T295 HydrophobicContact CG2-CG2 3.94Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.44Å; T282-R297 HydrophobicContact CG2-CG 3.64Å
283	C	98.3	Very high	95.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.8	170	175.1	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.41Å; C227-C283 WeakPolarHBondContact SG-CB 3.07Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.48Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 2.98Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.09Å; W241-C283 HydrophobicContact CH2-CB 3.97Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.99Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; C283-L296 HydrophobicContact CB-CB 4.35Å; C283-L296 PolarHBondContact N-O 2.71Å; C283-L296 PolarHBondContact O-N 3.02Å
284	H	98	Very high	95.8	Very high	36 Å²	36	54.6 Å²	54.6	17%	0.167	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.4	176.9	-63.3	-106.2	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.03Å; T240-H284 PolarHBondContact N-O 3.07Å; T240-H284 PolarHBondContact O-N 3.29Å; T240-H284 WeakPolarHBondContact OG1-CB 3.24Å; Q242-H284 PolarHBondContact OE1-NE2 3.49Å; T282-H284 PolarHBondContact OG1-NE2 2.04Å; H284-L294 WeakPolarHBondContact CA-O 3.46Å; H284-T295 PolarHBondContact ND1-OG1 3.46Å
285	V	98.3	Very high	95.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.4	-178	-174.6	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.39Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4.01Å; I237-V285 HydrophobicContact CD1-CG1 3.96Å; I237-V285 HydrophobicContact CG1-CG1 4.27Å; T238-V285 WeakPolarHBondContact O-CA 3.32Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; V285-P293 WeakPolarHBondContact O-CA 3.33Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 3.48Å; V285-L294 PolarHBondContact O-N 2.85Å; V285-L296 HydrophobicContact CG2-CD1 3.73Å
286	Q	97.8	Very high	96.1	Very high	82 Å²	82	55.1 Å²	55.1	38%	0.383	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.2	174.1	-52.5	-178.7	15.3	0	0	109.4	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; T238-Q286 PolarHBondContact N-O 2.81Å; T238-Q286 PolarHBondContact O-N 2.94Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	96.4	Very high	96.3	Very high	16 Å²	16	58.9 Å²	58.9	7%	0.074	30%	0.295	C	S	.	.			trans	-157.3	145.8	-178.5	-175.2	-96.5	0	0	0	108.9	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.01Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å; P209-H287 HydrophobicContact CG-CB 4.06Å; F232-H287 AromaticContact CD2-CD2 3.79Å; F232-H287 AromaticContact CD2-NE2 3.65Å; Y233-H287 PolarHBondContact O-CE1 3.26Å; P234-H287 PolarHBondContact O-NE2 3.32Å; E236-H287 PolarHBondContact O-CD2 3.2Å; I237-H287 HydrophobicContact CD1-CB 4.32Å; I237-H287 HydrophobicContact CG1-CB 4.13Å; H287-G289 PolarHBondContact ND1-N 3.11Å; H287-G289 PolarHBondContact O-N 2.86Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.48Å; H287-L290 PolarHBondContact O-N 3.21Å
288	E	93.6	Very high	96.4	Very high	85 Å²	85	58.5 Å²	58.5	40%	0.397	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-34	-178.8	-174.5	-174.5	173.2	0	0	113	A206 L290	A206-E288 HydrophobicContact CB-CG 4.44Å; E288-L290 PolarHBondContact O-N 2.78Å
289	G	93.9	Very high	96.1	Very high	20 Å²	20	65.4 Å²	65.4	21%	0.206	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10	177.7	0	0	0	0	0	114	H287	H287-G289 PolarHBondContact ND1-N 3.11Å; H287-G289 PolarHBondContact O-N 2.86Å
290	L	95.6	Very high	95.4	Very high	25 Å²	25	64.8 Å²	64.8	13%	0.131	33%	0.327	C	S	.	.			trans	-94.7	127.2	178.7	-65.8	170.6	0	0	0	110.8	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.88Å; P208-L290 HydrophobicContact CB-CG 4.42Å; P209-L290 HydrophobicContact CG-CD1 3.89Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.22Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.48Å; H287-L290 PolarHBondContact O-N 3.21Å; E288-L290 PolarHBondContact O-N 2.78Å; L290-K292 WeakPolarHBondContact CB-O 3.37Å; L290-K292 PolarHBondContact O-N 3.25Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CG 3.96Å
291	P	93.7	Very high	93.8	Very high	130 Å²	130	65 Å²	65	84%	0.844	34%	0.344	S	S	*	.	S	Bend	trans	-66.1	-24.8	176.9	27.6	-34.9	0	0	0	112.6
292	K	94.3	Very high	91.5	Very high	162 Å²	162	70 Å²	70	70%	0.704	38%	0.38	S	S	*	.	S	Bend	trans	-147.2	149.1	173.7	-64.1	-175.7	-178.1	178	0	109	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.37Å; L290-K292 PolarHBondContact O-N 3.25Å; K292-L294 PolarHBondContact O-N 3.42Å
293	P	96.3	Very high	88.9	Confident	72 Å²	72	77.4 Å²	77.4	47%	0.468	41%	0.414	S	S	.	.			trans	-51.7	140.5	171.7	-27.9	36.2	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.33Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	97.3	Very high	86.3	Confident	61 Å²	61	81.6 Å²	81.6	32%	0.319	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	145.8	174.5	-62.5	177.9	0	0	0	110.1	T211 H284 V285 L290 K292 L296	T211-L294 HydrophobicContact CG2-CD1 4.38Å; H284-L294 WeakPolarHBondContact CA-O 3.46Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 3.48Å; V285-L294 PolarHBondContact O-N 2.85Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; K292-L294 PolarHBondContact O-N 3.42Å; L294-L296 HydrophobicContact CB-CD1 4.13Å
295	T	97.8	Very high	83.8	Confident	86 Å²	86	86 Å²	86	53%	0.528	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.3	170.8	-56.3	0	0	0	0	107.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.94Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.47Å; H284-T295 PolarHBondContact ND1-OG1 3.46Å
296	L	97.3	Very high	81.6	Confident	29 Å²	29	90.7 Å²	90.7	15%	0.152	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	143.6	-178.2	-60.6	101.4	0	0	0	110.5	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.46Å; V213-L296 HydrophobicContact CG2-CB 3.81Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.44Å; C283-L296 HydrophobicContact CB-CB 4.35Å; C283-L296 PolarHBondContact N-O 2.71Å; C283-L296 PolarHBondContact O-N 3.02Å; V285-L296 HydrophobicContact CG2-CD1 3.73Å; L294-L296 HydrophobicContact CB-CD1 4.13Å
297	R	96.3	Very high	79.5	Confident	146 Å²	146	90.7 Å²	90.7	55%	0.551	50%	0.504	S	S	*	.			trans	-115.3	162.4	163.9	-71.3	-174.3	176.3	137	1.8	109	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.43Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; R297-E299 PolarHBondContact O-N 2.88Å
298	W	95.9	Very high	77.8	Confident	45 Å²	45	95.7 Å²	95.7	17%	0.17	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-69	120.4	166.1	170.9	58	0	0	0	109.7	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.48Å; V213-W298 HydrophobicContact CG1-CB 3.83Å; H215-W298 HydrophobicContact CB-CD2 4.08Å; H215-W298 HydrophobicContact CB-CG 4.11Å; H215-W298 HydrophobicContact CB-CZ2 4.01Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact CG-NE1 4Å; H215-W298 AromaticContact ND1-CZ2 3.95Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.81Å; L225-W298 HydrophobicContact CD2-CD2 4.41Å; L225-W298 HydrophobicContact CD2-CG 3.97Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.86Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å; Q279-W298 PolarHBondContact NE2-O 3.18Å; W298-P300 HydrophobicContact CE3-CG 4.39Å; W298-P300 HydrophobicContact CH2-CB 4.19Å; W298-P300 HydrophobicContact CH2-CG 3.9Å; W298-P300 HydrophobicContact CZ2-CB 3.96Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.07Å
299	E	89.6	Confident	76.2	Confident	165 Å²	165	97.5 Å²	97.5	77%	0.771	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-98	119.8	167.6	-71.6	-179.3	176.6	0	0	108.1	R297 S301	R297-E299 PolarHBondContact O-N 2.88Å; E299-S301 PolarHBondContact O-N 3.05Å
300	P	81.5	Confident	74.9	Confident	81 Å²	81	98.6 Å²	98.6	53%	0.526	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-56.3	119.6	169.8	-17.9	28.7	0	0	0	106.9	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.39Å; W298-P300 HydrophobicContact CH2-CB 4.19Å; W298-P300 HydrophobicContact CH2-CG 3.9Å; W298-P300 HydrophobicContact CZ2-CB 3.96Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.07Å; P300-S302 PolarHBondContact O-N 3.16Å
301	S	63.1	Low	73.8	Confident	104 Å²	104	102.1 Å²	102.1	73%	0.727	58%	0.576	S	S	*	*			trans	-51.2	113.1	179.7	46.7	0	0	0	0	108.1	E299 Q303	E299-S301 PolarHBondContact O-N 3.05Å; S301-Q303 PolarHBondContact O-N 3.45Å
302	S	47.8	Very low	73	Confident	112 Å²	112	100.2 Å²	100.2	78%	0.783	56%	0.561	S	S	*	*			trans	-66.7	79.7	158.1	60.4	0	0	0	0	105.1	P300 S304	P300-S302 PolarHBondContact O-N 3.16Å; S302-S304 PolarHBondContact O-N 3.32Å
303	Q	44.8	Very low	72.1	Confident	168 Å²	168	94.9 Å²	94.9	79%	0.785	55%	0.548	S	S	*	.			trans	-54.4	93.5	143.1	-91	-176.4	-16.7	0	0	102.9	S301 T305	S301-Q303 PolarHBondContact O-N 3.45Å; Q303-T305 PolarHBondContact O-N 2.94Å
304	S	42.5	Very low	71.4	Confident	89 Å²	89	93.1 Å²	93.1	62%	0.622	54%	0.543	S	S	*	.			trans	-54.5	99.1	164	-176.8	0	0	0	0	102.5	S302 I306	S302-S304 PolarHBondContact O-N 3.32Å; S304-I306 PolarHBondContact O-N 3.1Å
305	T	46.7	Very low	70.9	Confident	128 Å²	128	95.5 Å²	95.5	79%	0.785	56%	0.555	S	S	*	*			trans	-63.2	72	155.4	-41.8	0	0	0	0	103.6	Q303 P307	Q303-T305 PolarHBondContact O-N 2.94Å; T305-P307 WeakPolarHBondContact O-CD 3.45Å
306	I	50.9	Low	70.2	Confident	98 Å²	98	93.9 Å²	93.9	50%	0.503	55%	0.551	S	S	.	*			trans	-43.6	121	153.6	-65	172	0	0	0	101.7	S304 I308 I311	S304-I306 PolarHBondContact O-N 3.1Å; I306-I308 WeakPolarHBondContact O-CG1 3.22Å; I306-I308 PolarHBondContact O-N 3.4Å; I306-I311 HydrophobicContact CG2-CD1 4.21Å
307	P	55.4	Low	69.6	Low	82 Å²	82	97 Å²	97	53%	0.532	57%	0.57	S	S	.	*			trans	-72	77.7	-172.9	29.3	-33.1	0	0	0	106.5	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.45Å; P307-V309 PolarHBondContact O-N 2.9Å; P307-G310 WeakPolarHBondContact O-CA 3.41Å; P307-G310 PolarHBondContact O-N 3.04Å; P307-I311 PolarHBondContact O-N 3.2Å
308	I	59.9	Low	69.1	Low	121 Å²	121	95.1 Å²	95.1	62%	0.621	57%	0.571	S	S	*	*	H	α-helix	trans	-55.9	-35.7	173.5	-67.6	166.7	0	0	0	107.1	I306 G310 I311 V312	I306-I308 WeakPolarHBondContact O-CG1 3.22Å; I306-I308 PolarHBondContact O-N 3.4Å; I308-G310 PolarHBondContact O-N 3.27Å; I308-I311 PolarHBondContact O-N 3.46Å; I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 VanDerWaalsContact O-CB 3.32Å; I308-V312 WeakPolarHBondContact O-CB 3.25Å; I308-V312 WeakPolarHBondContact O-CG2 3.24Å; I308-V312 PolarHBondContact O-N 3.4Å
309	V	59.9	Low	68.6	Low	123 Å²	123	95.4 Å²	95.4	75%	0.745	58%	0.583	S	S	*	*	H	α-helix	trans	-59.5	-41.8	170.6	-176.5	0	0	0	0	112.4	P307 A313	P307-V309 PolarHBondContact O-N 2.9Å; V309-A313 WeakPolarHBondContact O-CB 3.48Å; V309-A313 PolarHBondContact O-N 3.36Å
310	G	66.6	Low	68.5	Low	43 Å²	43	92.5 Å²	92.5	44%	0.443	58%	0.576	S	S	.	*	H	α-helix	trans	-69.1	-38.9	178.5	0	0	0	0	0	113.3	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.41Å; P307-G310 PolarHBondContact O-N 3.04Å; I308-G310 PolarHBondContact O-N 3.27Å; G310-G314 PolarHBondContact O-N 2.88Å
311	I	73.2	Confident	68.7	Low	100 Å²	100	93 Å²	93	51%	0.513	58%	0.578	S	S	.	*	H	α-helix	trans	-69.6	-43.8	176	-62.6	172.7	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.21Å; P307-I311 PolarHBondContact O-N 3.2Å; I308-I311 PolarHBondContact O-N 3.46Å; I311-G314 PolarHBondContact O-N 2.88Å; I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.46Å; I311-L315 WeakPolarHBondContact O-CB 3.5Å; I311-L315 VanDerWaalsContact O-CG 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.25Å; I311-L315 PolarHBondContact O-N 2.99Å
312	V	75.7	Confident	69.8	Low	89 Å²	89	92 Å²	92	54%	0.539	57%	0.566	S	S	.	*	H	α-helix	trans	-65.1	-43.2	177.6	172.3	0	0	0	0	111.1	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.24Å; I308-V312 VanDerWaalsContact O-CB 3.32Å; I308-V312 WeakPolarHBondContact O-CB 3.25Å; I308-V312 WeakPolarHBondContact O-CG2 3.24Å; I308-V312 PolarHBondContact O-N 3.4Å; V312-L315 PolarHBondContact O-N 2.8Å; V312-A316 WeakPolarHBondContact O-CB 3.36Å; V312-A316 PolarHBondContact O-N 2.93Å
313	A	76	Confident	71.5	Confident	50 Å²	50	91.8 Å²	91.8	41%	0.413	56%	0.556	S	S	.	*	H	α-helix	trans	-63.1	-43.3	174.7	0	0	0	0	0	111.7	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.48Å; V309-A313 PolarHBondContact O-N 3.36Å; A313-A316 PolarHBondContact O-N 3.4Å; A313-V317 WeakPolarHBondContact O-CG2 3.37Å; A313-V317 PolarHBondContact O-N 2.94Å
314	G	81.9	Confident	73.3	Confident	36 Å²	36	85.7 Å²	85.7	37%	0.371	54%	0.538	S	S	.	.	H	α-helix	trans	-60.6	-44.7	176.3	0	0	0	0	0	112.8	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.88Å; I311-G314 PolarHBondContact O-N 2.88Å; G314-V317 PolarHBondContact O-N 3.21Å; G314-L318 PolarHBondContact O-N 3.36Å
315	L	85.6	Confident	75.2	Confident	111 Å²	111	84.1 Å²	84.1	58%	0.581	53%	0.53	S	S	*	.	H	α-helix	trans	-66.5	-38.9	176.9	-73.2	171.3	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.98Å; I311-L315 HydrophobicContact CG2-CG 4.46Å; I311-L315 WeakPolarHBondContact O-CB 3.5Å; I311-L315 VanDerWaalsContact O-CG 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.25Å; I311-L315 PolarHBondContact O-N 2.99Å; V312-L315 PolarHBondContact O-N 2.8Å; L315-L318 PolarHBondContact O-N 3.3Å; L315-A319 WeakPolarHBondContact O-CB 3.34Å; L315-A319 PolarHBondContact O-N 3.42Å
316	A	84	Confident	76.8	Confident	52 Å²	52	81.9 Å²	81.9	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-63.5	-43.7	176.3	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.36Å; V312-A316 PolarHBondContact O-N 2.93Å; A313-A316 PolarHBondContact O-N 3.4Å; A316-A319 PolarHBondContact O-N 3.13Å; A316-V320 WeakPolarHBondContact O-CG2 2.98Å; A316-V320 PolarHBondContact O-N 2.89Å
317	V	85.4	Confident	78.3	Confident	93 Å²	93	80.9 Å²	80.9	56%	0.564	51%	0.514	S	S	*	.	H	α-helix	trans	-63.3	-44.5	176.3	173.5	0	0	0	0	111	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.37Å; A313-V317 PolarHBondContact O-N 2.94Å; G314-V317 PolarHBondContact O-N 3.21Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.04Å; V317-V320 PolarHBondContact O-N 3.44Å; V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.45Å; V317-V321 PolarHBondContact O-N 3.3Å
318	L	85.7	Confident	79.2	Confident	108 Å²	108	79.4 Å²	79.4	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-58.9	-44.2	175.8	-106.6	155.3	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 PolarHBondContact O-N 3.36Å; L315-L318 PolarHBondContact O-N 3.3Å; L318-V320 PolarHBondContact O-N 3.01Å; L318-V321 PolarHBondContact O-N 3.42Å; L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.44Å; L318-V322 PolarHBondContact O-N 3Å
319	A	85.1	Confident	79.9	Confident	50 Å²	50	77.7 Å²	77.7	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-61.3	-43.5	177.2	0	0	0	0	0	112	L315 A316 V317 V321 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.34Å; L315-A319 PolarHBondContact O-N 3.42Å; A316-A319 PolarHBondContact O-N 3.13Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.04Å; A319-V321 PolarHBondContact O-N 3.15Å; A319-V322 PolarHBondContact O-N 3.14Å; A319-I323 WeakPolarHBondContact O-CB 3.39Å; A319-I323 WeakPolarHBondContact O-CD1 3.41Å; A319-I323 WeakPolarHBondContact O-CG1 3.44Å; A319-I323 PolarHBondContact O-N 3.22Å
320	V	86.1	Confident	80.6	Confident	105 Å²	105	75.7 Å²	75.7	64%	0.636	49%	0.492	S	S	*	.	H	α-helix	trans	-62.9	-42.5	177.1	173.4	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 2.98Å; A316-V320 PolarHBondContact O-N 2.89Å; V317-V320 PolarHBondContact O-N 3.44Å; L318-V320 PolarHBondContact O-N 3.01Å; V320-I323 PolarHBondContact O-N 2.85Å; V320-G324 PolarHBondContact O-N 3.05Å
321	V	87.3	Confident	80.9	Confident	92 Å²	92	79.9 Å²	79.9	56%	0.558	50%	0.502	S	S	*	.	H	α-helix	trans	-63.9	-44.4	177.8	172.2	0	0	0	0	111.3	V317 L318 A319 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.45Å; V317-V321 PolarHBondContact O-N 3.3Å; L318-V321 PolarHBondContact O-N 3.42Å; A319-V321 PolarHBondContact O-N 3.15Å; V321-G324 PolarHBondContact O-N 3.1Å; V321-A325 WeakPolarHBondContact O-CB 3.21Å; V321-A325 PolarHBondContact O-N 3.45Å
322	V	85.1	Confident	80.6	Confident	81 Å²	81	79.4 Å²	79.4	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-45.5	178.5	172.6	0	0	0	0	110.8	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.44Å; L318-V322 PolarHBondContact O-N 3Å; A319-V322 PolarHBondContact O-N 3.14Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.4Å; V322-A325 PolarHBondContact O-N 2.92Å; V322-V326 HydrophobicContact CG1-CG2 4.44Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.3Å; V322-V326 PolarHBondContact O-N 2.88Å
323	I	84	Confident	80	Confident	109 Å²	109	84.5 Å²	84.5	56%	0.559	52%	0.516	S	S	*	.	H	α-helix	trans	-60.9	-44.8	176.3	-67.5	165.5	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.39Å; A319-I323 WeakPolarHBondContact O-CD1 3.41Å; A319-I323 WeakPolarHBondContact O-CG1 3.44Å; A319-I323 PolarHBondContact O-N 3.22Å; V320-I323 PolarHBondContact O-N 2.85Å; I323-A325 PolarHBondContact O-N 3.38Å; I323-V326 PolarHBondContact O-N 3Å; I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.42Å; I323-V327 PolarHBondContact O-N 3.26Å
324	G	82.8	Confident	79.1	Confident	39 Å²	39	92.2 Å²	92.2	40%	0.402	53%	0.534	S	S	.	.	H	α-helix	trans	-58.8	-44.1	176	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.05Å; V321-G324 PolarHBondContact O-N 3.1Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.4Å; G324-V327 PolarHBondContact O-N 3.05Å; G324-A328 WeakPolarHBondContact O-CB 3.37Å; G324-A328 PolarHBondContact O-N 3.15Å
325	A	81	Confident	77.6	Confident	56 Å²	56	99.8 Å²	99.8	46%	0.463	56%	0.557	S	S	.	*	H	α-helix	trans	-65.9	-39.9	177.7	0	0	0	0	0	112.6	V321 V322 I323 A328 T329	V321-A325 WeakPolarHBondContact O-CB 3.21Å; V321-A325 PolarHBondContact O-N 3.45Å; V322-A325 PolarHBondContact O-N 2.92Å; I323-A325 PolarHBondContact O-N 3.38Å; A325-A328 PolarHBondContact O-N 3.14Å; A325-T329 PolarHBondContact O-N 3.19Å; A325-T329 PolarHBondContact O-OG1 2.99Å
326	V	82.2	Confident	76.1	Confident	82 Å²	82	99 Å²	99	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-45.3	175.6	172.7	0	0	0	0	110.7	V322 I323 A328 T329 V330	V322-V326 HydrophobicContact CG1-CG2 4.44Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.3Å; V322-V326 PolarHBondContact O-N 2.88Å; I323-V326 PolarHBondContact O-N 3Å; V326-A328 PolarHBondContact O-N 3.43Å; V326-T329 WeakPolarHBondContact CA-OG1 3.45Å; V326-T329 PolarHBondContact O-N 3.06Å; V326-T329 PolarHBondContact O-OG1 3.38Å; V326-V330 HydrophobicContact CG1-CG2 4.36Å; V326-V330 WeakPolarHBondContact O-CB 3.39Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.49Å; V326-V330 PolarHBondContact O-N 3.43Å
327	V	80.8	Confident	74.5	Confident	76 Å²	76	101.2 Å²	101.2	46%	0.461	57%	0.573	S	S	.	*	H	α-helix	trans	-62.3	-44.1	176.9	172.9	0	0	0	0	110.8	I323 G324 T329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.36Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.42Å; I323-V327 PolarHBondContact O-N 3.26Å; G324-V327 PolarHBondContact O-N 3.05Å; V327-T329 PolarHBondContact O-N 3.31Å; V327-V330 PolarHBondContact O-N 2.93Å; V327-M331 HydrophobicContact CG1-CG 4.39Å; V327-M331 HydrophobicContact CG1-SD 4.06Å; V327-M331 WeakPolarHBondContact O-CB 3.34Å; V327-M331 WeakPolarHBondContact O-CG 3.42Å; V327-M331 PolarHBondContact O-N 3.27Å
328	A	75.8	Confident	72.7	Confident	51 Å²	51	100.4 Å²	100.4	42%	0.421	58%	0.583	S	S	.	*	H	α-helix	trans	-62	-44	177.2	0	0	0	0	0	112.4	G324 A325 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.37Å; G324-A328 PolarHBondContact O-N 3.15Å; A325-A328 PolarHBondContact O-N 3.14Å; V326-A328 PolarHBondContact O-N 3.43Å; A328-M331 PolarHBondContact O-N 2.84Å; A328-C332 WeakPolarHBondContact O-CB 3.42Å; A328-C332 PolarHBondContact O-N 2.79Å; A328-C332 PolarHBondContact O-SG 2.74Å; A328-C332 VanDerWaalsContact O-SG 3.38Å
329	T	74.6	Confident	70.5	Confident	86 Å²	86	98.6 Å²	98.6	53%	0.528	59%	0.591	S	S	.	*	H	α-helix	trans	-67.1	-39.4	177.1	38.6	0	0	0	0	112.7	A325 V326 V327 C332 R333	A325-T329 PolarHBondContact O-N 3.19Å; A325-T329 PolarHBondContact O-OG1 2.99Å; V326-T329 WeakPolarHBondContact CA-OG1 3.45Å; V326-T329 PolarHBondContact O-N 3.06Å; V326-T329 PolarHBondContact O-OG1 3.38Å; V327-T329 PolarHBondContact O-N 3.31Å; T329-C332 PolarHBondContact O-N 2.87Å; T329-R333 WeakPolarHBondContact O-CB 3.48Å; T329-R333 PolarHBondContact O-N 3.34Å
330	V	74.2	Confident	68.2	Low	80 Å²	80	106.6 Å²	106.6	49%	0.485	62%	0.616	S	S	.	*	H	α-helix	trans	-65.3	-42.2	174.6	170.9	0	0	0	0	111.2	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.36Å; V326-V330 WeakPolarHBondContact O-CB 3.39Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.49Å; V326-V330 PolarHBondContact O-N 3.43Å; V327-V330 PolarHBondContact O-N 2.93Å; V330-R333 PolarHBondContact O-N 2.76Å; V330-R334 WeakPolarHBondContact O-CB 3.43Å; V330-R334 PolarHBondContact O-N 2.91Å
331	M	72.4	Confident	65.9	Low	131 Å²	131	105.2 Å²	105.2	65%	0.645	62%	0.623	S	S	*	*	H	α-helix	trans	-65.8	-40.7	176.2	-73.7	-174.5	71.1	0	0	112.3	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.39Å; V327-M331 HydrophobicContact CG1-SD 4.06Å; V327-M331 WeakPolarHBondContact O-CB 3.34Å; V327-M331 WeakPolarHBondContact O-CG 3.42Å; V327-M331 PolarHBondContact O-N 3.27Å; A328-M331 PolarHBondContact O-N 2.84Å; M331-R334 PolarHBondContact O-N 2.94Å; M331-K335 WeakPolarHBondContact O-CB 3.16Å; M331-K335 PolarHBondContact O-N 3.45Å
332	C	66.1	Low	63.4	Low	90 Å²	90	104.7 Å²	104.7	61%	0.608	64%	0.637	S	S	*	*	H	α-helix	trans	-62.1	-42.2	172.9	-77	0	0	0	0	111.8	A328 T329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.42Å; A328-C332 PolarHBondContact O-N 2.79Å; A328-C332 PolarHBondContact O-SG 2.74Å; A328-C332 VanDerWaalsContact O-SG 3.38Å; T329-C332 PolarHBondContact O-N 2.87Å; C332-K335 PolarHBondContact O-N 3.25Å; C332-S336 PolarHBondContact O-N 3.46Å; C332-S336 VanDerWaalsContact O-N 3.14Å; C332-S336 PolarHBondContact O-OG 2.97Å
333	R	63.3	Low	60.9	Low	197 Å²	197	106.7 Å²	106.7	74%	0.743	66%	0.655	S	S	*	*	H	α-helix	trans	-66.8	-37.5	176.2	-83	-175.5	140.8	164.5	-4	113.3	T329 V330 K335 S336 S337	T329-R333 WeakPolarHBondContact O-CB 3.48Å; T329-R333 PolarHBondContact O-N 3.34Å; V330-R333 PolarHBondContact O-N 2.76Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 3.35Å; R333-S336 WeakPolarHBondContact CA-OG 3.38Å; R333-S336 PolarHBondContact O-N 3.39Å; R333-S336 PolarHBondContact O-OG 3.09Å; R333-S336 VanDerWaalsContact O-OG 3.05Å; R333-S337 PolarHBondContact O-N 3.17Å
334	R	57	Low	58.6	Low	211 Å²	211	112 Å²	112	80%	0.796	67%	0.669	S	S	*	*	H	α-helix	trans	-67.1	-30.4	173.9	-110.2	-179.2	165.5	177.8	-4.1	112.4	V330 M331	V330-R334 WeakPolarHBondContact O-CB 3.43Å; V330-R334 PolarHBondContact O-N 2.91Å; M331-R334 PolarHBondContact O-N 2.94Å
335	K	52.1	Low	56.4	Low	195 Å²	195	116.1 Å²	116.1	85%	0.848	69%	0.692	S	S	*	*	H	α-helix	trans	-77.9	-21.3	176.4	-159.4	171.8	180	179.4	0	112.9	M331 C332 R333	M331-K335 WeakPolarHBondContact O-CB 3.16Å; M331-K335 PolarHBondContact O-N 3.45Å; C332-K335 PolarHBondContact O-N 3.25Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 3.35Å
336	S	54	Low	54.2	Low	96 Å²	96	122.4 Å²	122.4	67%	0.671	71%	0.711	S	S	*	*	H	α-helix	trans	-95.9	-6.7	177.8	60.5	0	0	0	0	115.2	C332 R333	C332-S336 PolarHBondContact O-N 3.46Å; C332-S336 VanDerWaalsContact O-N 3.14Å; C332-S336 PolarHBondContact O-OG 2.97Å; R333-S336 WeakPolarHBondContact CA-OG 3.38Å; R333-S336 PolarHBondContact O-N 3.39Å; R333-S336 PolarHBondContact O-OG 3.09Å; R333-S336 VanDerWaalsContact O-OG 3.05Å
337	S	50.8	Low	51.9	Low	97 Å²	97	123 Å²	123	68%	0.678	73%	0.725	S	S	*	*			trans	-104.5	33.4	-177.9	84	0	0	0	0	114.3	R333	R333-S337 PolarHBondContact O-N 3.17Å
338	G	47.1	Very low	49.7	Very low	76 Å²	76	123.8 Å²	123.8	78%	0.784	74%	0.74	S	S	*	*			trans	-118	80.7	172.9	0	0	0	0	0	111.6
339	G	39.6	Very low	47.8	Very low	70 Å²	70	126.8 Å²	126.8	72%	0.722	76%	0.758	S	S	*	*			trans	156.4	119.7	163.1	0	0	0	0	0	117.4
340	K	37.2	Very low	46	Very low	218 Å²	218	128.4 Å²	128.4	95%	0.948	77%	0.772	S	S	*	*			trans	72.7	125.2	162.9	-72	168.5	171.6	171.8	0	116.6
341	G	35.9	Very low	44.2	Very low	76 Å²	76	132 Å²	132	78%	0.784	79%	0.789	S	S	*	*			cis	111.1	88	18	0	0	0	0	0	110.7
342	G	34.7	Very low	43	Very low	82 Å²	82	131.9 Å²	131.9	85%	0.845	80%	0.801	S	S	*	*			trans	58.4	123.9	150.4	0	0	0	0	0	121.3
343	S	34	Very low	41.7	Very low	123 Å²	123	132 Å²	132	86%	0.86	81%	0.808	S	S	*	*				-171.9	137.6	113.4	-172.8	0	0	0	0	111.8
344	Y	35.5	Very low	40.8	Very low	220 Å²	220	131.8 Å²	131.8	86%	0.863	82%	0.816	S	S	*	*			trans	-64.9	149.2	169.7	-93.3	-107.8	0	0	0	113.1
345	S	36.7	Very low	39.8	Very low	125 Å²	125	125 Å²	125	87%	0.874	81%	0.812	S	S	*	*			trans	-167.3	162.8	133.4	47.9	0	0	0	0	111.2
346	Q	34	Very low	39.6	Very low	188 Å²	188	121.8 Å²	121.8	88%	0.879	81%	0.814	S	S	*	*			trans	-113	142.8	-140.6	177.8	177.7	-7.2	0	0	113.3
347	A	34.2	Very low	38.9	Very low	94 Å²	94	124.3 Å²	124.3	78%	0.777	82%	0.819	S	S	*	*			trans	39.6	130.6	150.4	0	0	0	0	0	123.8
348	A	34.8	Very low	38.5	Very low	94 Å²	94	125.5 Å²	125.5	78%	0.777	82%	0.822	S	S	*	*				-168.7	113.5	122.1	0	0	0	0	0	108
349	S	35.1	Very low	38.2	Very low	114 Å²	114	126 Å²	126	80%	0.797	81%	0.814	S	S	*	*				62.5	104.7	92.2	178.1	0	0	0	0	114.4
350	S	37.6	Very low	38.3	Very low	119 Å²	119	130.1 Å²	130.1	83%	0.832	82%	0.819	S	S	*	*				-178.1	137.3	116.8	33.4	0	0	0	0	112.1
351	D	36.7	Very low	38.4	Very low	157 Å²	157	125.2 Å²	125.2	84%	0.84	81%	0.807	S	S	*	*			trans	-56.2	148.5	173	-72.6	-55.8	0	0	0	113.7
352	S	46.8	Very low	38.8	Very low	127 Å²	127	129.6 Å²	129.6	89%	0.888	84%	0.836	S	S	*	*				-162	133.1	116.4	-9.4	0	0	0	0	111.2
353	A	38.5	Very low	39	Very low	92 Å²	92	132 Å²	132	76%	0.76	84%	0.835	S	S	*	*			trans	-82.8	149.7	176.7	0	0	0	0	0	112.5
354	Q	45.2	Very low	39.3	Very low	194 Å²	194	132.4 Å²	132.4	91%	0.907	83%	0.834	S	S	*	*			trans	175.8	115.3	137.5	-101.3	169.3	-11.2	0	0	105.8
355	G	35.6	Very low	39.5	Very low	69 Å²	69	127.6 Å²	127.6	71%	0.711	83%	0.832	S	S	*	*				75.8	114.8	78.1	0	0	0	0	0	107.7
356	S	47	Very low	39.7	Very low	127 Å²	127	127.7 Å²	127.7	89%	0.888	83%	0.83	S	S	*	*			cis	-164.6	154.5	40.7	-56.9	0	0	0	0	111.1
357	D	41.1	Very low	40	Very low	148 Å²	148	123.9 Å²	123.9	79%	0.791	83%	0.827	S	S	*	*			trans	-57.3	156.8	167.2	-66.6	-60.7	0	0	0	113.9
358	V	40.9	Very low	40.4	Very low	123 Å²	123	125.9 Å²	125.9	75%	0.745	83%	0.83	S	S	*	*				158.4	103.2	107.7	170.3	0	0	0	0	109.7
359	S	41.9	Very low	40.8	Very low	87 Å²	87	128.2 Å²	128.2	61%	0.608	83%	0.834	S	S	*	*				37	140.7	114.9	-32.2	0	0	0	0	123.1
360	L	41.7	Very low	41.3	Very low	156 Å²	156	129.3 Å²	129.3	82%	0.817	84%	0.837	S	S	*	*			trans	78.3	140.2	146.2	-63.3	151	0	0	0	115.5
361	T	38.1	Very low	41.6	Very low	114 Å²	114	130.2 Å²	130.2	70%	0.699	84%	0.837	S	S	*	*			cis	-166.5	144.4	18	1.2	0	0	0	0	106
362	A	45.6	Very low	42	Very low	168 Å²	168	127.7 Å²	127.7	100%	1.388	84%	0.837	S	S	*	*				44	0	97.1	0	0	0	0	0	114.9

Retrieved 362 of 362 residues in 142.2 ms (Link to these results)

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