A0A076JYD5_HUMAN Loading...

MHC class I antigen

AlphaFold DB (A0A7G1KZ10), UniProt , Accession A0A076JYD5, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	41.3	Very low	240 Å²	240	139.1 Å²	139.1	100%	1.182	71%	0.713	S	S	*	*				0	103.5	0	-72	165	-173.9	0	0	107.8
2	R	32	Very low	41.6	Very low	246 Å²	246	138.6 Å²	138.6	93%	0.928	71%	0.711	S	S	*	*			trans	-90.6	107.4	170.4	-87.2	-179.4	174	167.4	-2	106.5	T4	R2-T4 PolarHBondContact O-N 3.15Å; R2-T4 VanDerWaalsContact O-N 3.15Å
3	V	35.6	Very low	41.3	Very low	139 Å²	139	135.5 Å²	135.5	84%	0.842	70%	0.696	S	S	*	*			trans	-74.4	99.9	171	179.5	0	0	0	0	106.4	A5	V3-A5 PolarHBondContact O-N 3.34Å
4	T	41.1	Very low	40.7	Very low	129 Å²	129	139.4 Å²	139.4	79%	0.791	70%	0.698	S	S	*	*			trans	-76.3	105.5	167.3	38.9	0	0	0	0	107.8	R2	R2-T4 PolarHBondContact O-N 3.15Å; R2-T4 VanDerWaalsContact O-N 3.15Å
5	A	42	Very low	40.7	Very low	58 Å²	58	132.4 Å²	132.4	48%	0.479	68%	0.675	S	S	.	*			trans	-60.9	143.8	167.4	0	0	0	0	0	109.6	V3 R7 L10	V3-A5 PolarHBondContact O-N 3.34Å; A5-R7 PolarHBondContact O-N 3.31Å; A5-L10 HydrophobicContact CB-CD1 4.28Å
6	P	45.7	Very low	40.8	Very low	75 Å²	75	126.9 Å²	126.9	49%	0.487	66%	0.656	S	S	.	*			trans	-64.6	127.8	-179.3	-11.5	25.7	0	0	0	109.4	T8 L9	P6-T8 PolarHBondContact O-N 3.03Å; P6-L9 WeakPolarHBondContact O-CB 3.38Å; P6-L9 PolarHBondContact O-N 3.27Å
7	R	45.4	Very low	40.8	Very low	224 Å²	224	123.8 Å²	123.8	85%	0.845	64%	0.644	S	S	*	*	H	α-helix	trans	-52.4	-26.7	178.4	-91.4	177.9	154.7	127.1	-6.3	113.6	A5 L11	A5-R7 PolarHBondContact O-N 3.31Å; R7-L11 WeakPolarHBondContact O-CG 3.5Å; R7-L11 PolarHBondContact O-N 2.94Å
8	T	48.1	Very low	40.6	Very low	98 Å²	98	119.9 Å²	119.9	60%	0.601	63%	0.633	S	S	*	*	H	α-helix	trans	-68.7	-36.7	175.5	35.2	0	0	0	0	113.4	P6 L11 L12	P6-T8 PolarHBondContact O-N 3.03Å; T8-L11 PolarHBondContact O-N 3.42Å; T8-L12 PolarHBondContact O-N 2.7Å
9	L	43.4	Very low	40.4	Very low	105 Å²	105	118.7 Å²	118.7	55%	0.55	63%	0.626	S	S	.	*	H	α-helix	trans	-70.3	-35.3	177.8	-132.8	112.7	0	0	0	111.4	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.38Å; P6-L9 PolarHBondContact O-N 3.27Å; L9-L13 HydrophobicContact CD2-CD1 4.34Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 WeakPolarHBondContact O-CD1 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 2.62Å; L9-L13 VanDerWaalsContact O-N 3.17Å
10	L	40.2	Very low	40.4	Very low	90 Å²	90	116.7 Å²	116.7	47%	0.471	62%	0.619	S	S	.	*	H	α-helix	trans	-66.2	-39.4	174.9	-114.9	95.9	0	0	0	112.1	A5 W14	A5-L10 HydrophobicContact CB-CD1 4.28Å; L10-W14 PolarHBondContact O-N 2.81Å
11	L	47.3	Very low	40.4	Very low	126 Å²	126	118.5 Å²	118.5	66%	0.66	62%	0.624	S	S	*	*	H	α-helix	trans	-70.2	-38.4	-179.8	-72.6	165.5	0	0	0	112.5	R7 T8 W14 G15	R7-L11 WeakPolarHBondContact O-CG 3.5Å; R7-L11 PolarHBondContact O-N 2.94Å; T8-L11 PolarHBondContact O-N 3.42Å; L11-W14 PolarHBondContact O-N 3.03Å; L11-G15 PolarHBondContact O-N 3.41Å
12	L	44.5	Very low	40.9	Very low	133 Å²	133	111.5 Å²	111.5	70%	0.696	60%	0.595	S	S	*	*	H	α-helix	trans	-67.3	-39.5	175.2	-73.7	166.7	0	0	0	112.2	T8 G15 A16	T8-L12 PolarHBondContact O-N 2.7Å; L12-G15 PolarHBondContact O-N 3.17Å; L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 2.88Å
13	L	37.5	Very low	41.7	Very low	99 Å²	99	104.3 Å²	104.3	52%	0.518	57%	0.568	S	S	.	*	H	α-helix	trans	-65.6	-37.3	174.1	-78	162.9	0	0	0	111.9	L9 V17	L9-L13 HydrophobicContact CD2-CD1 4.34Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 WeakPolarHBondContact O-CD1 3.23Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 2.62Å; L9-L13 VanDerWaalsContact O-N 3.17Å; L13-V17 WeakPolarHBondContact O-CB 3.37Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 2.66Å
14	W	33.4	Very low	42.8	Very low	189 Å²	189	100.7 Å²	100.7	72%	0.716	55%	0.552	S	S	*	*	H	α-helix	trans	-72.8	-35.4	176.6	-78.5	45.8	0	0	0	112.5	L10 L11 A18	L10-W14 PolarHBondContact O-N 2.81Å; L11-W14 PolarHBondContact O-N 3.03Å; W14-A18 WeakPolarHBondContact O-CB 3.45Å; W14-A18 PolarHBondContact O-N 3.21Å
15	G	40.6	Very low	44.7	Very low	35 Å²	35	95.6 Å²	95.6	36%	0.361	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-43.8	172.2	0	0	0	0	0	112.5	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.41Å; L12-G15 PolarHBondContact O-N 3.17Å; G15-L19 WeakPolarHBondContact O-CB 3.5Å; G15-L19 PolarHBondContact O-N 2.95Å; G15-L19 VanDerWaalsContact O-N 3.14Å
16	A	41.7	Very low	47.1	Very low	44 Å²	44	95.3 Å²	95.3	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-68.9	-38.9	177.1	0	0	0	0	0	112.9	L12 T20	L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 2.88Å; A16-T20 WeakPolarHBondContact O-CG2 3.33Å; A16-T20 PolarHBondContact O-N 3.01Å; A16-T20 PolarHBondContact O-OG1 2.99Å
17	V	41.1	Very low	49.5	Very low	75 Å²	75	93 Å²	93	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-71.5	-40.5	177.5	173.2	0	0	0	0	111.5	L13 L19 T20 E21	L13-V17 WeakPolarHBondContact O-CB 3.37Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 2.66Å; V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 2.88Å; V17-T20 WeakPolarHBondContact CA-OG1 3.5Å; V17-T20 PolarHBondContact O-N 3.02Å; V17-T20 PolarHBondContact O-OG1 3.18Å; V17-E21 PolarHBondContact O-N 3.36Å
18	A	36.6	Very low	52.1	Low	53 Å²	53	83.5 Å²	83.5	44%	0.438	47%	0.47	S	S	.	.	H	α-helix	trans	-63.3	-38.1	176.7	0	0	0	0	0	112	W14 T20 T22	W14-A18 WeakPolarHBondContact O-CB 3.45Å; W14-A18 PolarHBondContact O-N 3.21Å; A18-T20 VanDerWaalsContact C-N 3.29Å; A18-T20 PolarHBondContact O-N 3.06Å; A18-T22 VanDerWaalsContact O-CG2 3.3Å; A18-T22 WeakPolarHBondContact O-CG2 3.36Å; A18-T22 PolarHBondContact O-N 2.88Å; A18-T22 PolarHBondContact O-OG1 3.32Å
19	L	37.5	Very low	54.5	Low	97 Å²	97	78.8 Å²	78.8	51%	0.508	44%	0.441	S	S	.	.	H	α-helix	trans	-73.1	-14.1	173.2	-87.6	155	0	0	0	113.8	G15 V17 W23	G15-L19 WeakPolarHBondContact O-CB 3.5Å; G15-L19 PolarHBondContact O-N 2.95Å; G15-L19 VanDerWaalsContact O-N 3.14Å; V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 2.88Å; L19-W23 PolarHBondContact O-NE1 3.4Å
20	T	39.8	Very low	57.1	Low	78 Å²	78	76.3 Å²	76.3	48%	0.479	43%	0.425	S	S	.	.	H	α-helix	trans	-91.6	-32.4	172	51.8	0	0	0	0	112.5	A16 V17 A18	A16-T20 WeakPolarHBondContact O-CG2 3.33Å; A16-T20 PolarHBondContact O-N 3.01Å; A16-T20 PolarHBondContact O-OG1 2.99Å; V17-T20 WeakPolarHBondContact CA-OG1 3.5Å; V17-T20 PolarHBondContact O-N 3.02Å; V17-T20 PolarHBondContact O-OG1 3.18Å; A18-T20 VanDerWaalsContact C-N 3.29Å; A18-T20 PolarHBondContact O-N 3.06Å
21	E	40.3	Very low	59.9	Low	155 Å²	155	72.6 Å²	72.6	72%	0.724	40%	0.404	S	S	*	.	H	α-helix	trans	-75.4	-25.6	177.6	-81	-171.7	154.4	0	0	113.2	V17 W23	V17-E21 PolarHBondContact O-N 3.36Å; E21-W23 VanDerWaalsContact C-N 3.34Å; E21-W23 PolarHBondContact O-N 3.05Å
22	T	44.9	Very low	62.3	Low	94 Å²	94	70.6 Å²	70.6	58%	0.577	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.5	-178	52.9	0	0	0	0	114.8	A18	A18-T22 VanDerWaalsContact O-CG2 3.3Å; A18-T22 WeakPolarHBondContact O-CG2 3.36Å; A18-T22 PolarHBondContact O-N 2.88Å; A18-T22 PolarHBondContact O-OG1 3.32Å
23	W	49.7	Very low	64.9	Low	95 Å²	95	64.5 Å²	64.5	36%	0.36	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-29.4	-170.2	-66.2	71.1	0	0	0	114	L19 E21 G25 E236	L19-W23 PolarHBondContact O-NE1 3.4Å; E21-W23 VanDerWaalsContact C-N 3.34Å; E21-W23 PolarHBondContact O-N 3.05Å; W23-G25 PolarHBondContact O-N 2.92Å; W23-E236 HydrophobicContact CE3-CB 4.01Å; W23-E236 HydrophobicContact CE3-CG 3.87Å; W23-E236 HydrophobicContact CH2-CB 3.94Å; W23-E236 HydrophobicContact CH2-CG 3.15Å; W23-E236 WeakPolarHBondContact CH2-OE1 3.33Å; W23-E236 HydrophobicContact CZ2-CG 3.97Å; W23-E236 HydrophobicContact CZ3-CB 3.35Å; W23-E236 HydrophobicContact CZ3-CG 3.1Å
24	A	58.8	Low	67.8	Low	62 Å²	62	62 Å²	62	51%	0.512	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	107.8	-175.4	0	0	0	0	0	110.9	P129	A24-P129 WeakPolarHBondContact O-CG 3.11Å
25	G	79.8	Confident	71	Confident	22 Å²	22	53 Å²	53	23%	0.227	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	13.8	167.1	0	0	0	0	0	117	W23 P129	W23-G25 PolarHBondContact O-N 2.92Å; G25-P129 WeakPolarHBondContact O-CA 3.36Å
26	S	92.8	Very high	73.7	Confident	52 Å²	52	53.8 Å²	53.8	36%	0.364	31%	0.311	S	S	.	.			trans	-83.6	143.9	163.7	64.8	0	0	0	0	110.6	V127	S26-V127 CarbonylContact C-O 3.53Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.34Å
27	H	97	Very high	76.4	Confident	28 Å²	28	52.6 Å²	52.6	13%	0.13	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.9	179.9	-66.9	-77.2	0	0	0	111.3	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.15Å; H27-D53 IonicContact CE1-OD2 2.71Å; H27-D53 IonicContact CG-OD2 3.6Å; H27-D53 IonicContact ND1-OD1 3.79Å; H27-D53 IonicContact ND1-OD2 3.39Å; H27-D53 PolarHBondContact ND1-OD2 3.43Å; H27-D126 CarbonylContact O-C 3.52Å; H27-D126 WeakPolarHBondContact O-CA 3.3Å; H27-V127 HydrophobicContact CB-CG2 4.02Å; H27-V127 PolarHBondContact N-O 3.17Å; H27-V127 PolarHBondContact O-N 2.95Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.26Å
28	S	98.1	Very high	79	Confident	23 Å²	23	52.6 Å²	52.6	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.2	178.5	65.1	0	0	0	0	112	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.36Å; S28-D53 PolarHBondContact N-OD1 3.05Å; S28-D53 PolarHBondContact O-N 2.92Å; S28-D53 PolarHBondContact OG-OD1 3.27Å; S28-C125 WeakPolarHBondContact CA-O 3.35Å; S28-D126 WeakPolarHBondContact CB-OD1 3.13Å
29	M	98.7	Very high	81.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.7	166.2	-175.3	170.7	63.7	0	0	108.6	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.41Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.27Å; M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.5Å; M29-C125 PolarHBondContact N-O 2.92Å; M29-C125 PolarHBondContact O-N 2.94Å; M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 VanDerWaalsContact CE-SG 3.54Å; M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.45Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.47Å; M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	R	98.7	Very high	84.3	Confident	53 Å²	53	52.3 Å²	52.3	20%	0.2	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.8	-176.8	-56.8	-61.9	-176.1	75.6	5.4	111	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.48Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; R30-G50 WeakPolarHBondContact O-CA 3.21Å; R30-Y51 PolarHBondContact N-O 3.43Å; R30-Y51 PolarHBondContact O-N 2.95Å; R30-D126 IonicContact CZ-OD1 2.94Å; R30-D126 IonicContact NE-OD1 2.96Å; R30-D126 PolarHBondContact NE-OD1 3.34Å; R30-D126 VanDerWaalsContact NE-OD1 3.13Å; R30-D126 VanDerWaalsContact NH2-CG 3.29Å; R30-D126 IonicContact NH2-OD1 3.99Å; R30-D126 PolarHBondContact NH2-OD1 3.2Å; R30-D126 IonicContact NH2-OD2 3.71Å; R30-D126 PolarHBondContact NH2-OD2 2.95Å; R30-H137 PolarHBondContact NH2-NE2 2.91Å; R30-H137 VanDerWaalsContact NH2-NE2 3.15Å
31	Y	98.8	Very high	86.9	Confident	11 Å²	11	58.5 Å²	58.5	4%	0.043	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.4	169	-69.2	-86.3	0	0	0	109.8	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.17Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; Y31-V49 WeakPolarHBondContact CA-O 3.39Å; Y31-F57 AromaticContact CE1-CZ 3.96Å; Y31-F57 HydrophobicContact CE1-CZ 3.96Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.49Å; Y31-V58 HydrophobicContact CE1-CG2 3.91Å; Y31-M122 WeakPolarHBondContact O-CA 3.5Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.47Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 AromaticContact CD2-CE2 3.76Å; Y31-Y123 HydrophobicContact CD2-CE2 3.76Å; Y31-Y123 AromaticContact CD2-CZ 3.84Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.22Å; Y31-Y123 AromaticContact CG-CZ 3.81Å; Y31-Y123 PolarHBondContact N-O 3.25Å; Y31-Y123 PolarHBondContact O-N 3.35Å; Y31-Y123 VanDerWaalsContact O-N 3.16Å
32	F	98.9	Very high	89.3	Confident	84 Å²	84	53.8 Å²	53.8	37%	0.368	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.9	177	-58.1	-94.5	0	0	0	108.9	R30 T48 V49 Y51 S121 M122	R30-F32 HydrophobicContact CB-CD2 4.48Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; F32-T48 VanDerWaalsContact O-CA 3.29Å; F32-T48 WeakPolarHBondContact O-CA 3.26Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 2.78Å; F32-V49 PolarHBondContact O-N 3.23Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.12Å; F32-S121 WeakPolarHBondContact CA-O 3.31Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.71Å; F32-M122 HydrophobicContact CE1-CB 4.08Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CZ-CG 3.98Å
33	H	98.8	Very high	91.8	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.028	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138	176.1	-59.4	174	0	0	0	109.5	F46 I47 T48 Y98 Q120 S121 Y123	H33-F46 HydrophobicContact CB-CE2 3.91Å; H33-F46 HydrophobicContact CB-CZ 4.11Å; H33-F46 AromaticContact CG-CZ 3.92Å; H33-I47 WeakPolarHBondContact CA-O 3.34Å; H33-T48 WeakPolarHBondContact CD2-CB 3.49Å; H33-T48 PolarHBondContact CD2-OG1 3.17Å; H33-T48 PolarHBondContact NE2-OG1 2.99Å; H33-T48 VanDerWaalsContact NE2-OG1 3.09Å; H33-Y98 HydrophobicContact CB-CE1 3.91Å; H33-Y98 WeakPolarHBondContact CB-OH 3.43Å; H33-Y98 AromaticContact ND1-CE2 3.9Å; H33-Y98 AromaticContact ND1-CZ 3.67Å; H33-Y98 PolarHBondContact ND1-OH 3.18Å; H33-Q120 CarbonylContact O-C 3.51Å; H33-Q120 WeakPolarHBondContact O-CA 3.32Å; H33-S121 WeakPolarHBondContact CB-OG 3.47Å; H33-S121 PolarHBondContact N-O 3.15Å; H33-S121 PolarHBondContact O-N 3.49Å; H33-Y123 AromaticContact CE1-CE1 3.37Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.23Å; H33-Y123 AromaticContact CE1-CZ 3.95Å; H33-Y123 AromaticContact ND1-CE1 3.95Å; H33-Y123 AromaticContact NE2-CE1 3.53Å; H33-Y123 AromaticContact NE2-CZ 3.98Å; H33-Y123 PolarHBondContact NE2-OH 2.96Å
34	T	98.8	Very high	94	Very high	45 Å²	45	49.4 Å²	49.4	28%	0.276	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	124	174.2	-57.6	0	0	0	0	108.8	V36 F46 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 3.97Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; T34-I47 PolarHBondContact N-O 3.44Å; T34-I47 PolarHBondContact O-N 2.94Å; T34-T118 HydrophobicContact CG2-CG2 4.11Å; T34-Q120 HydrophobicContact CG2-CG 4.09Å
35	S	98.7	Very high	95.9	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.1	170.2	-164.1	0	0	0	0	110.7	R45 L102 T118 L119	S35-R45 CarbonylContact C-O 3.53Å; S35-R45 VanDerWaalsContact CA-O 3.23Å; S35-R45 WeakPolarHBondContact CA-O 3.14Å; S35-R45 PolarHBondContact OG-O 2.92Å; S35-L102 WeakPolarHBondContact OG-CD1 3.42Å; S35-T118 CarbonylContact O-C 3.51Å; S35-T118 WeakPolarHBondContact O-CA 3.48Å; S35-L119 PolarHBondContact N-O 3.33Å; S35-L119 PolarHBondContact O-N 2.89Å
36	V	98.6	Very high	96.8	Very high	52 Å²	52	49.8 Å²	49.8	32%	0.315	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.6	-178.1	-174.2	0	0	0	0	109.3	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.97Å; V36-P44 CarbonylContact O-C 3.57Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; V36-P44 WeakPolarHBondContact O-CB 3.33Å; V36-R45 PolarHBondContact N-O 2.68Å; V36-R45 PolarHBondContact O-N 3.17Å; V36-H117 WeakPolarHBondContact CA-O 3.39Å; V36-T118 HydrophobicContact CG2-CG2 4.12Å
37	S	97.9	Very high	97.1	Very high	18 Å²	18	49.6 Å²	49.6	13%	0.126	27%	0.269	C	S	.	.			trans	-72.2	144.3	173.5	74.5	0	0	0	0	110.7	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.17Å; S37-S116 PolarHBondContact O-OG 3.37Å; S37-H117 PolarHBondContact N-O 3Å; S37-H117 PolarHBondContact OG-N 3.47Å; S37-H117 PolarHBondContact OG-O 3.32Å
38	R	96.3	Very high	97.2	Very high	76 Å²	76	48.2 Å²	48.2	29%	0.287	26%	0.263	S	S	.	.			trans	-137.2	71.9	-178	53	174.9	175.5	-160.7	-9.6	111.1	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.94Å; R38-R41 HydrophobicContact CB-CB 4.15Å; R38-R41 VanDerWaalsContact CD-O 3.32Å; R38-R41 WeakPolarHBondContact CD-O 3.13Å; R38-R41 HydrophobicContact CG-CB 4.23Å; R38-R41 PolarHBondContact NE-O 3Å; R38-R41 PolarHBondContact O-N 2.79Å; R38-E43 PolarHBondContact NE-O 2.85Å; R38-E43 PolarHBondContact NH2-O 2.86Å; R38-D63 IonicContact CZ-OD1 3.62Å; R38-D63 IonicContact CZ-OD2 2.87Å; R38-D63 IonicContact NH1-OD1 3.7Å; R38-D63 PolarHBondContact NH1-OD1 3.16Å; R38-D63 IonicContact NH1-OD2 2.76Å; R38-D63 PolarHBondContact NH1-OD2 3.48Å; R38-D63 IonicContact NH2-OD1 3.25Å; R38-D63 PolarHBondContact NH2-OD1 2.86Å; R38-D63 IonicContact NH2-OD2 3.43Å
39	P	92.8	Very high	97.2	Very high	55 Å²	55	48.7 Å²	48.7	36%	0.357	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	131.5	-177.2	-26.5	34.4	0	0	0	112.3	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.83Å; P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CG-O 3.42Å; P39-G115 WeakPolarHBondContact CG-O 3.29Å
40	G	92	Very high	97.2	Very high	89 Å²	89	48.7 Å²	48.7	92%	0.918	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	1.3	-177.3	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 2.94Å
41	R	93.9	Very high	97.2	Very high	207 Å²	207	49.7 Å²	49.7	78%	0.781	27%	0.269	S	S	*	.	S	Bend	trans	-125.8	24.8	179.4	-58.8	-174.8	-178.5	176.9	0.9	113.3	R38 P39	R38-R41 HydrophobicContact CB-CB 4.15Å; R38-R41 VanDerWaalsContact CD-O 3.32Å; R38-R41 WeakPolarHBondContact CD-O 3.13Å; R38-R41 HydrophobicContact CG-CB 4.23Å; R38-R41 PolarHBondContact NE-O 3Å; R38-R41 PolarHBondContact O-N 2.79Å; P39-R41 PolarHBondContact O-N 2.83Å
42	G	92.4	Very high	97.2	Very high	57 Å²	57	49.2 Å²	49.2	59%	0.588	27%	0.267	S	S	*	.	S	Bend	trans	96.7	-165.9	179	0	0	0	0	0	114
43	E	95.7	Very high	97.1	Very high	81 Å²	81	46.6 Å²	46.6	38%	0.379	26%	0.257	S	S	.	.	S	Bend	trans	-70.6	156	-178.4	-69.6	-64.6	167.4	0	0	112.2	R38 R45 R99 R103	R38-E43 PolarHBondContact NE-O 2.85Å; R38-E43 PolarHBondContact NH2-O 2.86Å; E43-R45 PolarHBondContact O-N 3.21Å; E43-R99 VanDerWaalsContact CD-CZ 3.49Å; E43-R99 WeakPolarHBondContact OE2-CD 3.35Å; E43-R99 IonicContact OE2-CZ 3.74Å; E43-R99 IonicContact OE2-NE 2.72Å; E43-R99 PolarHBondContact OE2-NE 3.25Å; E43-R99 IonicContact OE2-NH1 2.77Å; E43-R99 IonicContact OE2-NH2 3.34Å; E43-R103 IonicContact OE1-NH2 3.13Å; E43-R103 IonicContact OE2-NH2 3.32Å
44	P	97.3	Very high	97	Very high	16 Å²	16	49.3 Å²	49.3	10%	0.104	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-52.2	134.3	175.1	-26	34.5	0	0	0	111.9	V36 R99 L102	V36-P44 CarbonylContact O-C 3.57Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; V36-P44 WeakPolarHBondContact O-CB 3.33Å; P44-R99 HydrophobicContact CG-CB 4.4Å; P44-R99 HydrophobicContact CG-CG 4.15Å; P44-L102 HydrophobicContact CB-CD1 3.72Å; P44-L102 HydrophobicContact CG-CD1 3.91Å
45	R	98.4	Very high	96.9	Very high	91 Å²	91	47.8 Å²	47.8	34%	0.343	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.4	173.3	-176.4	-179	-175.8	179.2	-1.1	108.5	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.53Å; S35-R45 VanDerWaalsContact CA-O 3.23Å; S35-R45 WeakPolarHBondContact CA-O 3.14Å; S35-R45 PolarHBondContact OG-O 2.92Å; V36-R45 PolarHBondContact N-O 2.68Å; V36-R45 PolarHBondContact O-N 3.17Å; E43-R45 PolarHBondContact O-N 3.21Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; R45-D61 IonicContact CZ-OD1 2.73Å; R45-D61 IonicContact CZ-OD2 3.55Å; R45-D61 IonicContact NE-OD1 3.46Å; R45-D61 PolarHBondContact NE-OD1 3Å; R45-D61 IonicContact NE-OD2 3.52Å; R45-D61 IonicContact NH2-OD1 3.93Å; R45-D61 PolarHBondContact NH2-OD1 2.79Å; R45-D61 IonicContact NH2-OD2 3.81Å; R45-D61 PolarHBondContact NH2-OD2 2.79Å; R45-S62 WeakPolarHBondContact CA-OG 3.39Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.44Å; R45-D63 HydrophobicContact CG-CB 4.35Å; R45-D63 IonicContact NE-OD2 3.93Å
46	F	98.8	Very high	96.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.4	176.3	178.6	-99.1	0	0	0	110.2	H33 T34 T48 F60 S62 N94 T95 Y98	H33-F46 HydrophobicContact CB-CE2 3.91Å; H33-F46 HydrophobicContact CB-CZ 4.11Å; H33-F46 AromaticContact CG-CZ 3.92Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; F46-T48 HydrophobicContact CE1-CG2 3.68Å; F46-T48 HydrophobicContact CZ-CG2 4.22Å; F46-F60 HydrophobicContact CD1-CD1 4Å; F46-F60 AromaticContact CD1-CE1 4Å; F46-F60 HydrophobicContact CD1-CE1 4Å; F46-F60 HydrophobicContact CE1-CD1 4.31Å; F46-S62 PolarHBondContact N-OG 3.06Å; F46-S62 PolarHBondContact O-N 2.86Å; F46-S62 PolarHBondContact O-OG 2.82Å; F46-N94 HydrophobicContact CE1-CB 4.05Å; F46-N94 HydrophobicContact CE2-CB 4.26Å; F46-N94 HydrophobicContact CZ-CB 3.66Å; F46-T95 HydrophobicContact CB-CG2 3.96Å; F46-T95 VanDerWaalsContact CD1-OG1 3.26Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.37Å; F46-Y98 HydrophobicContact CD2-CD1 4.28Å; F46-Y98 HydrophobicContact CD2-CD2 4.28Å; F46-Y98 AromaticContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CE2-CD1 4.05Å; F46-Y98 AromaticContact CE2-CD2 3.72Å; F46-Y98 HydrophobicContact CE2-CD2 3.72Å; F46-Y98 HydrophobicContact CE2-CE1 4.25Å; F46-Y98 AromaticContact CE2-CE2 3.93Å; F46-Y98 HydrophobicContact CE2-CE2 3.93Å; F46-Y98 AromaticContact CE2-CG 3.78Å; F46-Y98 HydrophobicContact CE2-CG 3.78Å
47	I	98.8	Very high	96.9	Very high	48 Å²	48	47.7 Å²	47.7	25%	0.246	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.4	175.9	-57.7	174	0	0	0	107.7	H33 T34 R45 F60	H33-I47 WeakPolarHBondContact CA-O 3.34Å; T34-I47 PolarHBondContact N-O 3.44Å; T34-I47 PolarHBondContact O-N 2.94Å; R45-I47 HydrophobicContact CG-CG1 4.31Å; I47-F60 WeakPolarHBondContact CA-O 3.2Å
48	T	98.8	Very high	96.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.6	168.8	168	0	0	0	0	110.1	F32 H33 F46 R59 F60	F32-T48 VanDerWaalsContact O-CA 3.29Å; F32-T48 WeakPolarHBondContact O-CA 3.26Å; H33-T48 WeakPolarHBondContact CD2-CB 3.49Å; H33-T48 PolarHBondContact CD2-OG1 3.17Å; H33-T48 PolarHBondContact NE2-OG1 2.99Å; H33-T48 VanDerWaalsContact NE2-OG1 3.09Å; F46-T48 HydrophobicContact CE1-CG2 3.68Å; F46-T48 HydrophobicContact CZ-CG2 4.22Å; T48-R59 CarbonylContact O-C 3.57Å; T48-R59 WeakPolarHBondContact O-CA 3.32Å; T48-F60 HydrophobicContact CG2-CB 3.6Å; T48-F60 HydrophobicContact CG2-CD1 4.25Å; T48-F60 HydrophobicContact CG2-CG 4.26Å; T48-F60 PolarHBondContact N-O 2.9Å; T48-F60 PolarHBondContact O-N 2.94Å
49	V	98.9	Very high	97	Very high	32 Å²	32	47.2 Å²	47.2	19%	0.194	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.7	173.5	-68.7	0	0	0	0	109.5	Y31 F32 Y51 L56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.39Å; F32-V49 HydrophobicContact CB-CG2 3.89Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 2.78Å; F32-V49 PolarHBondContact O-N 3.23Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.89Å; V49-L56 HydrophobicContact CB-CD1 3.73Å; V49-L56 HydrophobicContact CG1-CD1 4.03Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; V49-R59 HydrophobicContact CG1-CB 4.31Å; V49-R59 HydrophobicContact CG1-CG 4.15Å
50	G	98.8	Very high	97.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136	176.3	0	0	0	0	0	110.5	R30 F57 V58	R30-G50 WeakPolarHBondContact O-CA 3.21Å; G50-F57 WeakPolarHBondContact O-CD1 3.03Å; G50-F57 PolarHBondContact O-N 3.06Å; G50-V58 PolarHBondContact N-O 2.91Å; G50-V58 PolarHBondContact O-N 3.4Å
51	Y	98.7	Very high	97.7	Very high	75 Å²	75	41.2 Å²	41.2	29%	0.294	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142	178	-78.1	-101.3	0	0	0	110.4	M29 R30 F32 V49 T55 L56	M29-Y51 CarbonylContact C-O 3.58Å; M29-Y51 WeakPolarHBondContact CA-O 3.41Å; R30-Y51 PolarHBondContact N-O 3.43Å; R30-Y51 PolarHBondContact O-N 2.95Å; F32-Y51 HydrophobicContact CD2-CD2 4.1Å; F32-Y51 HydrophobicContact CE2-CD2 4.12Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.89Å; Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; Y51-L56 HydrophobicContact CD1-CB 4.18Å; Y51-L56 VanDerWaalsContact CD1-N 3.34Å; Y51-L56 HydrophobicContact CD2-CD1 4.05Å; Y51-L56 HydrophobicContact CE1-CB 3.64Å; Y51-L56 HydrophobicContact CE1-CD1 4.44Å; Y51-L56 HydrophobicContact CE2-CB 4.28Å; Y51-L56 HydrophobicContact CE2-CD1 3.5Å; Y51-L56 HydrophobicContact CE2-CG 4.47Å
52	V	98.5	Very high	97.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.6	156.7	177.2	0	0	0	0	106.3	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.36Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; V52-D54 PolarHBondContact O-N 2.8Å; V52-T55 PolarHBondContact N-O 3Å; V52-T55 WeakPolarHBondContact O-CB 2.94Å; V52-T55 PolarHBondContact O-N 3.05Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; V52-W75 HydrophobicContact CB-CH2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 4.03Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CG 4.5Å
53	D	96.9	Very high	98.1	Very high	29 Å²	29	33.1 Å²	33.1	16%	0.155	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	-127.2	-165.6	-52.2	-40.4	0	0	0	110.1	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.15Å; H27-D53 IonicContact CE1-OD2 2.71Å; H27-D53 IonicContact CG-OD2 3.6Å; H27-D53 IonicContact ND1-OD1 3.79Å; H27-D53 IonicContact ND1-OD2 3.39Å; H27-D53 PolarHBondContact ND1-OD2 3.43Å; S28-D53 PolarHBondContact N-OD1 3.05Å; S28-D53 PolarHBondContact O-N 2.92Å; S28-D53 PolarHBondContact OG-OD1 3.27Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 3.21Å
54	D	96.6	Very high	98.2	Very high	63 Å²	63	31 Å²	31	34%	0.337	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	11.4	176.8	-58.4	-58.2	0	0	0	114.4	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.8Å; D54-Y233 HydrophobicContact CB-CE2 3.93Å; D54-P234 VanDerWaalsContact OD2-CB 3.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.15Å; D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 VanDerWaalsContact CG-CB 3.5Å; D54-A235 WeakPolarHBondContact OD2-CB 3.05Å; D54-A235 PolarHBondContact OD2-N 3.14Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.73Å
55	T	97.3	Very high	98.1	Very high	14 Å²	14	37.6 Å²	37.6	9%	0.086	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.9	-177.1	-57.9	0	0	0	0	111.9	Y51 V52 D53 F57 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.35Å; Y51-T55 VanDerWaalsContact CD1-C 3.47Å; V52-T55 PolarHBondContact N-O 3Å; V52-T55 WeakPolarHBondContact O-CB 2.94Å; V52-T55 PolarHBondContact O-N 3.05Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 3.21Å; T55-F57 PolarHBondContact O-N 3.37Å; T55-L203 HydrophobicContact CG2-CD2 4.06Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.18Å; T55-Y233 PolarHBondContact OG1-OH 2.85Å; T55-R263 PolarHBondContact OG1-NE 2.9Å
56	L	98	Very high	98	Very high	50 Å²	50	37 Å²	37	26%	0.262	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	126.6	172.2	178.1	70.5	0	0	0	110	V49 Y51 R72	V49-L56 HydrophobicContact CB-CD1 3.73Å; V49-L56 HydrophobicContact CG1-CD1 4.03Å; Y51-L56 HydrophobicContact CD1-CB 4.18Å; Y51-L56 VanDerWaalsContact CD1-N 3.34Å; Y51-L56 HydrophobicContact CD2-CD1 4.05Å; Y51-L56 HydrophobicContact CE1-CB 3.64Å; Y51-L56 HydrophobicContact CE1-CD1 4.44Å; Y51-L56 HydrophobicContact CE2-CB 4.28Å; Y51-L56 HydrophobicContact CE2-CD1 3.5Å; Y51-L56 HydrophobicContact CE2-CG 4.47Å; L56-R72 HydrophobicContact CD2-CB 3.91Å; L56-R72 HydrophobicContact CD2-CG 3.93Å; L56-R72 HydrophobicContact CG-CB 3.77Å; L56-R72 HydrophobicContact CG-CG 4.1Å
57	F	98.4	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-23.6	-179.5	77.6	-84.2	0	0	0	114.8	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.27Å; Y31-F57 AromaticContact CE1-CZ 3.96Å; Y31-F57 HydrophobicContact CE1-CZ 3.96Å; Y31-F57 AromaticContact CZ-CZ 3.76Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.49Å; G50-F57 WeakPolarHBondContact O-CD1 3.03Å; G50-F57 PolarHBondContact O-N 3.06Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; T55-F57 PolarHBondContact O-N 3.37Å; F57-R72 PolarHBondContact O-N 2.74Å; F57-A73 HydrophobicContact CB-CB 4.1Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.31Å; F57-W75 HydrophobicContact CB-CZ3 4.05Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.68Å; F57-W75 HydrophobicContact CD2-CH2 3.68Å; F57-W75 HydrophobicContact CD2-CZ3 4.02Å; F57-W75 AromaticContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CZ2 4.03Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; F57-I76 HydrophobicContact CD2-CB 4.39Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.24Å; F57-I76 VanDerWaalsContact O-CG2 3.31Å; F57-I76 WeakPolarHBondContact O-CG2 3.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å
58	V	98.6	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	150.6	176.9	-74.3	0	0	0	0	112.7	Y31 V49 G50 K69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.91Å; V49-V58 WeakPolarHBondContact CA-O 3.37Å; G50-V58 PolarHBondContact N-O 2.91Å; G50-V58 PolarHBondContact O-N 3.4Å; V58-K69 HydrophobicContact CB-CD 4.2Å; V58-K69 HydrophobicContact CB-CG 4.23Å; V58-K69 HydrophobicContact CG1-CG 4.3Å; V58-K69 VanDerWaalsContact CG2-CE 3.5Å; V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.31Å; V58-I76 HydrophobicContact CG1-CG1 4.32Å; V58-W84 HydrophobicContact CG1-CH2 4.07Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å
59	R	98.6	Very high	97.9	Very high	85 Å²	85	43.2 Å²	43.2	32%	0.321	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.2	173.1	177.6	176.2	170.3	173.5	-3.2	111.1	T48 V49 D61 E70 R72	T48-R59 CarbonylContact O-C 3.57Å; T48-R59 WeakPolarHBondContact O-CA 3.32Å; V49-R59 HydrophobicContact CG1-CB 4.31Å; V49-R59 HydrophobicContact CG1-CG 4.15Å; R59-D61 IonicContact CZ-OD2 3.35Å; R59-D61 IonicContact NH2-OD2 3.86Å; R59-D61 PolarHBondContact NH2-OD2 2.03Å; R59-E70 PolarHBondContact N-O 2.95Å; R59-E70 PolarHBondContact O-N 2.83Å; R59-R72 HydrophobicContact CB-CG 3.97Å
60	F	98.8	Very high	97.9	Very high	2 Å²	2	45 Å²	45	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	143.9	163	170.8	-77.2	0	0	0	108.9	F46 I47 T48 P67 R68 K69 S91 K92	F46-F60 HydrophobicContact CD1-CD1 4Å; F46-F60 AromaticContact CD1-CE1 4Å; F46-F60 HydrophobicContact CD1-CE1 4Å; F46-F60 HydrophobicContact CE1-CD1 4.31Å; I47-F60 WeakPolarHBondContact CA-O 3.2Å; T48-F60 HydrophobicContact CG2-CB 3.6Å; T48-F60 HydrophobicContact CG2-CD1 4.25Å; T48-F60 HydrophobicContact CG2-CG 4.26Å; T48-F60 PolarHBondContact N-O 2.9Å; T48-F60 PolarHBondContact O-N 2.94Å; F60-P67 HydrophobicContact CE1-CB 4.47Å; F60-P67 HydrophobicContact CE2-CB 3.71Å; F60-P67 HydrophobicContact CZ-CB 3.61Å; F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.48Å; F60-K69 HydrophobicContact CB-CD 4.01Å; F60-S91 VanDerWaalsContact CD2-CB 3.44Å; F60-K92 HydrophobicContact CE2-CG 4.18Å; F60-K92 HydrophobicContact CZ-CG 4.1Å
61	D	98.7	Very high	97.8	Very high	15 Å²	15	47.3 Å²	47.3	8%	0.08	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	120.2	179.3	-163.1	-28.6	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.73Å; R45-D61 IonicContact CZ-OD2 3.55Å; R45-D61 IonicContact NE-OD1 3.46Å; R45-D61 PolarHBondContact NE-OD1 3Å; R45-D61 IonicContact NE-OD2 3.52Å; R45-D61 IonicContact NH2-OD1 3.93Å; R45-D61 PolarHBondContact NH2-OD1 2.79Å; R45-D61 IonicContact NH2-OD2 3.81Å; R45-D61 PolarHBondContact NH2-OD2 2.79Å; R59-D61 IonicContact CZ-OD2 3.35Å; R59-D61 IonicContact NH2-OD2 3.86Å; R59-D61 PolarHBondContact NH2-OD2 2.03Å; D61-D63 PolarHBondContact O-N 3.33Å; D61-D63 PolarHBondContact OD1-N 3.28Å; D61-A64 WeakPolarHBondContact O-CB 3.42Å; D61-A64 PolarHBondContact O-N 2.8Å
62	S	98.3	Very high	97.8	Very high	27 Å²	27	49.2 Å²	49.2	19%	0.189	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.9	-178.1	68.9	0	0	0	0	113.4	R45 F46 A64	R45-S62 WeakPolarHBondContact CA-OG 3.39Å; F46-S62 PolarHBondContact N-OG 3.06Å; F46-S62 PolarHBondContact O-N 2.86Å; F46-S62 PolarHBondContact O-OG 2.82Å; S62-A64 VanDerWaalsContact C-N 3.35Å
63	D	97.6	Very high	97.7	Very high	68 Å²	68	49.5 Å²	49.5	36%	0.364	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.9	179.8	-79.4	6.8	0	0	0	112.7	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.62Å; R38-D63 IonicContact CZ-OD2 2.87Å; R38-D63 IonicContact NH1-OD1 3.7Å; R38-D63 PolarHBondContact NH1-OD1 3.16Å; R38-D63 IonicContact NH1-OD2 2.76Å; R38-D63 PolarHBondContact NH1-OD2 3.48Å; R38-D63 IonicContact NH2-OD1 3.25Å; R38-D63 PolarHBondContact NH2-OD1 2.86Å; R38-D63 IonicContact NH2-OD2 3.43Å; R45-D63 VanDerWaalsContact CD-OD2 3.26Å; R45-D63 WeakPolarHBondContact CD-OD2 3.44Å; R45-D63 HydrophobicContact CG-CB 4.35Å; R45-D63 IonicContact NE-OD2 3.93Å; D61-D63 PolarHBondContact O-N 3.33Å; D61-D63 PolarHBondContact OD1-N 3.28Å
64	A	96.9	Very high	97.7	Very high	35 Å²	35	53.1 Å²	53.1	29%	0.289	29%	0.286	S	S	.	.	S	Bend	trans	-63	148.4	173.7	0	0	0	0	0	110.9	D61 S62 S66 P67	D61-A64 WeakPolarHBondContact O-CB 3.42Å; D61-A64 PolarHBondContact O-N 2.8Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 2.82Å; A64-S66 VanDerWaalsContact O-N 3.16Å; A64-P67 WeakPolarHBondContact O-CD 3.47Å; A64-P67 VanDerWaalsContact O-CG 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.36Å
65	T	96	Very high	97.7	Very high	156 Å²	156	51 Å²	51	96%	0.957	27%	0.274	S	S	*	.	S	Bend	trans	-56.6	-34.3	179	-50.7	0	0	0	0	112.7
66	S	96.1	Very high	97.8	Very high	78 Å²	78	50.4 Å²	50.4	55%	0.545	27%	0.27	S	S	.	.	S	Bend	trans	-134.1	86.5	173.8	-174.6	0	0	0	0	108.7	A64 R68	A64-S66 PolarHBondContact O-N 2.82Å; A64-S66 VanDerWaalsContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 2.93Å
67	P	97.2	Very high	97.7	Very high	35 Å²	35	53.9 Å²	53.9	23%	0.227	29%	0.285	C	S	.	.			trans	-62.3	113.1	-174.2	-24.4	35.2	0	0	0	111.8	F60 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.47Å; F60-P67 HydrophobicContact CE2-CB 3.71Å; F60-P67 HydrophobicContact CZ-CB 3.61Å; A64-P67 WeakPolarHBondContact O-CD 3.47Å; A64-P67 VanDerWaalsContact O-CG 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.36Å; P67-K92 VanDerWaalsContact O-CE 3.28Å; P67-K92 WeakPolarHBondContact O-CE 3.39Å
68	R	98.2	Very high	97.6	Very high	134 Å²	134	59.6 Å²	59.6	51%	0.506	31%	0.312	S	S	.	.			trans	-139.3	157.4	176.6	-68.2	-169.6	173.8	-134.6	-0.9	110.1	F60 S66 E70 D85 T88	F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.48Å; S66-R68 PolarHBondContact O-N 2.93Å; R68-E70 PolarHBondContact O-N 2.89Å; R68-D85 IonicContact NH1-OD1 3.91Å; R68-T88 HydrophobicContact CB-CG2 4.37Å; R68-T88 HydrophobicContact CG-CG2 4.2Å
69	K	98.5	Very high	97.6	Very high	10 Å²	10	60.2 Å²	60.2	4%	0.043	31%	0.314	C	S	.	.			trans	-72.6	123.8	168.9	-163.7	74.7	154.1	-177.2	0	107.2	V58 F60 W84 E87 T88	V58-K69 HydrophobicContact CB-CD 4.2Å; V58-K69 HydrophobicContact CB-CG 4.23Å; V58-K69 HydrophobicContact CG1-CG 4.3Å; V58-K69 VanDerWaalsContact CG2-CE 3.5Å; F60-K69 HydrophobicContact CB-CD 4.01Å; K69-W84 HydrophobicContact CB-CE3 4.26Å; K69-W84 HydrophobicContact CG-CE3 4.37Å; K69-W84 HydrophobicContact CG-CZ3 4.21Å; K69-E87 HydrophobicContact CB-CB 4.02Å; K69-E87 HydrophobicContact CG-CB 3.86Å; K69-T88 PolarHBondContact N-OG1 2.9Å
70	E	98.4	Very high	97.5	Very high	69 Å²	69	57.8 Å²	57.8	32%	0.322	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.6	-173.8	-65.3	172.9	160.8	0	0	110.3	V58 R59 R68 R72	V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.31Å; R59-E70 PolarHBondContact N-O 2.95Å; R59-E70 PolarHBondContact O-N 2.83Å; R68-E70 PolarHBondContact O-N 2.89Å; E70-R72 IonicContact OE2-CZ 3.56Å; E70-R72 IonicContact OE2-NH2 2.75Å; E70-R72 PolarHBondContact OE2-NH2 3.09Å
71	P	98.4	Very high	97.4	Very high	48 Å²	48	62.4 Å²	62.4	31%	0.312	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	146.1	172.5	28.8	-34	0	0	0	111	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.69Å; P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.08Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.95Å; P71-W84 HydrophobicContact CB-CZ3 4.45Å; P71-W84 HydrophobicContact CG-CH2 4.21Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å
72	R	97.9	Very high	97.4	Very high	116 Å²	116	69.6 Å²	69.6	44%	0.438	38%	0.379	S	S	.	.			trans	-131.4	-0	175.4	-60.9	-64.6	172.3	-174.6	0.5	113.3	L56 F57 R59 E70	L56-R72 HydrophobicContact CD2-CB 3.91Å; L56-R72 HydrophobicContact CD2-CG 3.93Å; L56-R72 HydrophobicContact CG-CB 3.77Å; L56-R72 HydrophobicContact CG-CG 4.1Å; F57-R72 PolarHBondContact O-N 2.74Å; R59-R72 HydrophobicContact CB-CG 3.97Å; E70-R72 IonicContact OE2-CZ 3.56Å; E70-R72 IonicContact OE2-NH2 2.75Å; E70-R72 PolarHBondContact OE2-NH2 3.09Å
73	A	96.8	Very high	97.4	Very high	5 Å²	5	68.8 Å²	68.8	4%	0.041	37%	0.372	C	S	.	.	S	Bend	trans	-136.5	144.4	172.9	0	0	0	0	0	110.4	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.1Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.03Å; A73-W75 PolarHBondContact O-N 2.89Å; A73-I76 WeakPolarHBondContact O-CG2 3.42Å; A73-I76 PolarHBondContact O-N 3.46Å
74	P	97.1	Very high	97.4	Very high	106 Å²	106	67.4 Å²	67.4	69%	0.688	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-58.9	-37.7	-177.5	-26.8	35.1	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 2.73Å; P74-E77 WeakPolarHBondContact O-CB 3.26Å; P74-E77 PolarHBondContact O-N 2.91Å; P74-E77 VanDerWaalsContact O-N 3.12Å
75	W	96.9	Very high	97.5	Very high	19 Å²	19	70.1 Å²	70.1	7%	0.072	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-69.4	-15.2	-175.8	54.1	-106.7	0	0	0	114.4	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.47Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.31Å; F57-W75 HydrophobicContact CB-CZ3 4.05Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.68Å; F57-W75 HydrophobicContact CD2-CH2 3.68Å; F57-W75 HydrophobicContact CD2-CZ3 4.02Å; F57-W75 AromaticContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CZ2 4.03Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.03Å; A73-W75 PolarHBondContact O-N 2.89Å; W75-Q78 WeakPolarHBondContact O-CG 3.42Å; W75-Q78 PolarHBondContact O-NE2 2.75Å; W75-Y195 HydrophobicContact CE3-CD1 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.19Å; W75-Y195 AromaticContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD2 4.32Å; W75-Y195 AromaticContact CZ3-CG 3.65Å; W75-Y195 HydrophobicContact CZ3-CG 3.65Å; W75-N198 WeakPolarHBondContact CB-O 3.22Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.35Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.43Å
76	I	97.9	Very high	97.6	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-89.2	-18.9	174.3	-163.3	71.8	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.39Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.24Å; F57-I76 VanDerWaalsContact O-CG2 3.31Å; F57-I76 WeakPolarHBondContact O-CG2 3.47Å; V58-I76 HydrophobicContact CG1-CG1 4.32Å; P71-I76 HydrophobicContact CB-CG2 3.69Å; A73-I76 WeakPolarHBondContact O-CG2 3.42Å; A73-I76 PolarHBondContact O-N 3.46Å; P74-I76 PolarHBondContact O-N 2.73Å; I76-Q78 PolarHBondContact O-N 2.81Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; I76-E79 HydrophobicContact CD1-CG 3.65Å; I76-E79 HydrophobicContact CG1-CG 4.18Å; I76-E79 WeakPolarHBondContact O-CB 3.34Å; I76-E79 WeakPolarHBondContact O-CG 3.3Å; I76-E79 PolarHBondContact O-N 3.47Å; I76-Y83 HydrophobicContact CD1-CE1 4.22Å; I76-Y83 HydrophobicContact CG1-CE1 4.21Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.8Å; I76-W84 HydrophobicContact CG1-CZ2 4.08Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 HydrophobicContact CG2-CZ2 4.41Å; I76-W84 WeakPolarHBondContact O-CZ2 3.4Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å
77	E	97.1	Very high	97.7	Very high	124 Å²	124	65.1 Å²	65.1	58%	0.579	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.7	-176.8	-64.9	-179.5	-173.6	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.08Å; P74-E77 WeakPolarHBondContact O-CB 3.26Å; P74-E77 PolarHBondContact O-N 2.91Å; P74-E77 VanDerWaalsContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 2.92Å
78	Q	96	Very high	97.8	Very high	120 Å²	120	63.9 Å²	63.9	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-12.9	175.4	70.7	-172.5	-38.2	0	0	114.1	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.42Å; W75-Q78 PolarHBondContact O-NE2 2.75Å; I76-Q78 PolarHBondContact O-N 2.81Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; Q78-N198 PolarHBondContact NE2-ND2 3.33Å
79	E	97.6	Very high	97.8	Very high	12 Å²	12	62.8 Å²	62.8	6%	0.056	32%	0.317	C	S	.	.	S	Bend	trans	-65.1	137.4	176	-66.2	-60.8	162.7	0	0	110.9	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.65Å; I76-E79 HydrophobicContact CG1-CG 4.18Å; I76-E79 WeakPolarHBondContact O-CB 3.34Å; I76-E79 WeakPolarHBondContact O-CG 3.3Å; I76-E79 PolarHBondContact O-N 3.47Å; E77-E79 PolarHBondContact O-N 2.92Å; E79-Y83 HydrophobicContact CB-CD1 3.55Å; E79-Y83 HydrophobicContact CB-CE1 4.17Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 4.04Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.22Å; E79-W84 HydrophobicContact CB-CZ2 4.49Å; E79-W84 PolarHBondContact O-NE1 3.14Å; E79-R194 IonicContact OE1-CZ 3.54Å; E79-R194 IonicContact OE1-NE 3.06Å; E79-R194 PolarHBondContact OE1-NE 3.32Å; E79-R194 IonicContact OE1-NH2 3.71Å; E79-R194 PolarHBondContact OE1-NH2 2.63Å; E79-R194 IonicContact OE2-CZ 3.93Å; E79-R194 IonicContact OE2-NE 2.75Å; E79-R194 IonicContact OE2-NH2 3.7Å; E79-R194 PolarHBondContact OE2-NH2 3.18Å; E79-N198 PolarHBondContact OE1-ND2 3.17Å
80	G	97.1	Very high	97.8	Very high	35 Å²	35	65.6 Å²	65.6	36%	0.361	33%	0.331	S	S	.	.			trans	-69.6	168.1	-174.9	0	0	0	0	0	114	E82 Y83 W84	G80-E82 PolarHBondContact O-N 3.5Å; G80-Y83 WeakPolarHBondContact O-CB 3.43Å; G80-Y83 PolarHBondContact O-N 3.36Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 3.17Å
81	P	97.8	Very high	97.8	Very high	98 Å²	98	62.4 Å²	62.4	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-57.7	-33.5	-178.9	23.2	-33.7	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 2.97Å; P81-W84 PolarHBondContact O-N 3.25Å; P81-D85 WeakPolarHBondContact O-CB 3.46Å; P81-D85 PolarHBondContact O-N 3.19Å
82	E	97.9	Very high	97.8	Very high	167 Å²	167	64.4 Å²	64.4	78%	0.78	32%	0.32	S	S	*	.	H	α-helix	trans	-60.3	-38.3	177.8	-63.6	-179	179.4	0	0	112.7	G80 R86	G80-E82 PolarHBondContact O-N 3.5Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 3.08Å
83	Y	98.1	Very high	97.8	Very high	10 Å²	10	62.2 Å²	62.2	4%	0.039	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-52.2	174.4	171	-95	0	0	0	110	I76 E79 G80 P81 D85 R86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.22Å; I76-Y83 HydrophobicContact CG1-CE1 4.21Å; E79-Y83 HydrophobicContact CB-CD1 3.55Å; E79-Y83 HydrophobicContact CB-CE1 4.17Å; E79-Y83 HydrophobicContact CB-CG 3.83Å; E79-Y83 HydrophobicContact CG-CD1 4.04Å; E79-Y83 HydrophobicContact CG-CE1 4.25Å; E79-Y83 HydrophobicContact CG-CG 4.22Å; G80-Y83 WeakPolarHBondContact O-CB 3.43Å; G80-Y83 PolarHBondContact O-N 3.36Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 2.97Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 3.45Å; Y83-R86 PolarHBondContact O-N 3.25Å; Y83-E87 HydrophobicContact CD1-CG 4.28Å; Y83-E87 HydrophobicContact CD2-CG 3.96Å; Y83-E87 HydrophobicContact CE1-CG 3.97Å; Y83-E87 HydrophobicContact CE2-CG 3.59Å; Y83-E87 HydrophobicContact CG-CG 4.28Å; Y83-E87 WeakPolarHBondContact O-CB 3.29Å; Y83-E87 VanDerWaalsContact O-CG 3.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.43Å; Y83-E87 PolarHBondContact O-N 2.75Å; Y83-W191 AromaticContact CD2-CH2 3.74Å; Y83-W191 HydrophobicContact CD2-CH2 3.74Å; Y83-W191 HydrophobicContact CD2-CZ2 4.32Å; Y83-W191 HydrophobicContact CD2-CZ3 4.06Å; Y83-W191 HydrophobicContact CE2-CH2 4.12Å; Y83-W191 HydrophobicContact CE2-CZ3 4.07Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.36Å; Y83-Y195 PolarHBondContact OH-OH 3.41Å
84	W	98.5	Very high	97.9	Very high	39 Å²	39	63.6 Å²	63.6	15%	0.148	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-39.9	-177.6	-64.8	112.9	0	0	0	113.2	V58 K69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.07Å; V58-W84 HydrophobicContact CG1-CZ3 3.9Å; K69-W84 HydrophobicContact CB-CE3 4.26Å; K69-W84 HydrophobicContact CG-CE3 4.37Å; K69-W84 HydrophobicContact CG-CZ3 4.21Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.95Å; P71-W84 HydrophobicContact CB-CZ3 4.45Å; P71-W84 HydrophobicContact CG-CH2 4.21Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å; I76-W84 HydrophobicContact CB-CH2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.8Å; I76-W84 HydrophobicContact CG1-CZ2 4.08Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; 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 3.14Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 3.17Å; P81-W84 PolarHBondContact O-N 3.25Å; W84-T88 WeakPolarHBondContact O-CB 3.3Å; W84-T88 PolarHBondContact O-N 3.46Å; W84-T88 PolarHBondContact O-OG1 3.25Å
85	D	98.4	Very high	98	Very high	92 Å²	92	59.1 Å²	59.1	49%	0.492	30%	0.297	S	S	.	.	H	α-helix	trans	-67.7	-43.5	177.1	-74.8	-21.9	0	0	0	111.2	R68 P81 Y83 T88 Q89	R68-D85 IonicContact NH1-OD1 3.91Å; P81-D85 WeakPolarHBondContact O-CB 3.46Å; P81-D85 PolarHBondContact O-N 3.19Å; Y83-D85 VanDerWaalsContact C-N 3.35Å; Y83-D85 PolarHBondContact O-N 3.45Å; D85-T88 PolarHBondContact O-N 3.01Å; D85-Q89 WeakPolarHBondContact O-CB 3.42Å; D85-Q89 PolarHBondContact O-N 3.27Å
86	R	98.2	Very high	98	Very high	109 Å²	109	62.3 Å²	62.3	41%	0.411	31%	0.313	S	S	.	.	H	α-helix	trans	-62.7	-51	176.4	-171.6	-175.2	71.6	-172.8	2	111.9	E82 Y83 T88 Q89 I90	E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 3.08Å; Y83-R86 PolarHBondContact O-N 3.25Å; R86-T88 VanDerWaalsContact C-N 3.28Å; R86-T88 PolarHBondContact O-N 2.97Å; R86-Q89 PolarHBondContact O-N 2.94Å; R86-Q89 VanDerWaalsContact O-N 3.11Å; R86-I90 HydrophobicContact CG-CD1 4.07Å; R86-I90 WeakPolarHBondContact O-CG1 3.21Å; R86-I90 PolarHBondContact O-N 3.13Å
87	E	98.4	Very high	98	Very high	20 Å²	20	65.2 Å²	65.2	9%	0.093	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-33	-179.6	-64.7	-47.7	127	0	0	112.3	K69 Y83 S91	K69-E87 HydrophobicContact CB-CB 4.02Å; K69-E87 HydrophobicContact CG-CB 3.86Å; Y83-E87 HydrophobicContact CD1-CG 4.28Å; Y83-E87 HydrophobicContact CD2-CG 3.96Å; Y83-E87 HydrophobicContact CE1-CG 3.97Å; Y83-E87 HydrophobicContact CE2-CG 3.59Å; Y83-E87 HydrophobicContact CG-CG 4.28Å; Y83-E87 WeakPolarHBondContact O-CB 3.29Å; Y83-E87 VanDerWaalsContact O-CG 3.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.43Å; Y83-E87 PolarHBondContact O-N 2.75Å; E87-S91 WeakPolarHBondContact O-CB 3.11Å; E87-S91 PolarHBondContact O-N 3.25Å; E87-S91 PolarHBondContact O-OG 3.28Å
88	T	98.6	Very high	98.1	Very high	8 Å²	8	59.8 Å²	59.8	5%	0.049	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-46.2	171.3	-67.3	0	0	0	0	110.9	R68 K69 W84 D85 R86 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.37Å; R68-T88 HydrophobicContact CG-CG2 4.2Å; K69-T88 PolarHBondContact N-OG1 2.9Å; W84-T88 WeakPolarHBondContact O-CB 3.3Å; W84-T88 PolarHBondContact O-N 3.46Å; W84-T88 PolarHBondContact O-OG1 3.25Å; D85-T88 PolarHBondContact O-N 3.01Å; R86-T88 VanDerWaalsContact C-N 3.28Å; R86-T88 PolarHBondContact O-N 2.97Å; T88-S91 PolarHBondContact O-N 2.85Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.18Å; T88-K92 PolarHBondContact O-N 3.25Å
89	Q	98.6	Very high	98.2	Very high	112 Å²	112	56.1 Å²	56.1	52%	0.523	29%	0.286	S	S	.	.	H	α-helix	trans	-65.1	-41.8	-179.9	-172.1	58.8	23.5	0	0	111.5	D85 R86 S91 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.42Å; D85-Q89 PolarHBondContact O-N 3.27Å; R86-Q89 PolarHBondContact O-N 2.94Å; R86-Q89 VanDerWaalsContact O-N 3.11Å; Q89-S91 VanDerWaalsContact C-N 3.32Å; Q89-S91 PolarHBondContact O-N 2.97Å; Q89-K92 PolarHBondContact O-N 2.83Å; Q89-T93 PolarHBondContact O-N 3.33Å; Q89-T93 PolarHBondContact O-OG1 2.97Å; Q89-T93 VanDerWaalsContact O-OG1 3.09Å
90	I	98.2	Very high	98.2	Very high	68 Å²	68	61 Å²	61	35%	0.349	31%	0.309	S	S	.	.	H	α-helix	trans	-57.2	-46.6	172.8	-68.7	166.5	0	0	0	110.4	R86 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.07Å; R86-I90 WeakPolarHBondContact O-CG1 3.21Å; R86-I90 PolarHBondContact O-N 3.13Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 3.1Å; I90-T93 PolarHBondContact O-N 3.3Å; I90-N94 WeakPolarHBondContact O-CB 3.42Å; I90-N94 PolarHBondContact O-N 3.42Å; I90-N94 PolarHBondContact O-ND2 3.44Å
91	S	98.5	Very high	98.2	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-36.7	179.4	-58	0	0	0	0	112.6	F60 E87 T88 Q89 N94 T95	F60-S91 VanDerWaalsContact CD2-CB 3.44Å; E87-S91 WeakPolarHBondContact O-CB 3.11Å; E87-S91 PolarHBondContact O-N 3.25Å; E87-S91 PolarHBondContact O-OG 3.28Å; T88-S91 PolarHBondContact O-N 2.85Å; Q89-S91 VanDerWaalsContact C-N 3.32Å; Q89-S91 PolarHBondContact O-N 2.97Å; S91-N94 PolarHBondContact O-N 3.37Å; S91-T95 PolarHBondContact O-N 3.39Å; S91-T95 PolarHBondContact O-OG1 3.45Å
92	K	98.3	Very high	98.3	Very high	90 Å²	90	56.9 Å²	56.9	39%	0.391	28%	0.276	S	S	.	.	H	α-helix	trans	-67.9	-41.5	174.1	-74.1	177.4	178.3	177.6	0	112.4	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.18Å; F60-K92 HydrophobicContact CZ-CG 4.1Å; P67-K92 VanDerWaalsContact O-CE 3.28Å; P67-K92 WeakPolarHBondContact O-CE 3.39Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.18Å; T88-K92 PolarHBondContact O-N 3.25Å; Q89-K92 PolarHBondContact O-N 2.83Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 3.1Å; K92-T95 WeakPolarHBondContact O-CB 3.41Å; K92-T95 PolarHBondContact O-N 2.7Å; K92-Q96 PolarHBondContact O-N 2.98Å
93	T	98.4	Very high	98.2	Very high	70 Å²	70	55.2 Å²	55.2	43%	0.429	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-48.8	173.1	-60.9	0	0	0	0	110.3	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 3.33Å; Q89-T93 PolarHBondContact O-OG1 2.97Å; Q89-T93 VanDerWaalsContact O-OG1 3.09Å; I90-T93 PolarHBondContact O-N 3.3Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 2.65Å; T93-Q96 PolarHBondContact O-N 2.96Å; T93-T97 PolarHBondContact O-N 3.38Å; T93-T97 PolarHBondContact O-OG1 3.48Å
94	N	98.3	Very high	98.2	Very high	34 Å²	34	58.6 Å²	58.6	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-36.4	176.8	-73.1	-21.2	0	0	0	112.3	F46 I90 S91 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.05Å; F46-N94 HydrophobicContact CE2-CB 4.26Å; F46-N94 HydrophobicContact CZ-CB 3.66Å; I90-N94 WeakPolarHBondContact O-CB 3.42Å; I90-N94 PolarHBondContact O-N 3.42Å; I90-N94 PolarHBondContact O-ND2 3.44Å; S91-N94 PolarHBondContact O-N 3.37Å; N94-Q96 PolarHBondContact O-N 2.97Å; N94-T97 PolarHBondContact O-N 3.36Å; N94-Y98 HydrophobicContact CB-CD2 4.44Å; N94-Y98 HydrophobicContact CB-CE2 4.48Å; N94-Y98 WeakPolarHBondContact O-CD2 3.22Å; N94-Y98 PolarHBondContact O-N 3.25Å
95	T	98.3	Very high	98.2	Very high	13 Å²	13	57 Å²	57	8%	0.08	28%	0.276	C	S	.	.	H	α-helix	trans	-57	-39	174.5	-58.5	0	0	0	0	111.9	F46 S91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.96Å; F46-T95 VanDerWaalsContact CD1-OG1 3.26Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.37Å; S91-T95 PolarHBondContact O-N 3.39Å; S91-T95 PolarHBondContact O-OG1 3.45Å; K92-T95 WeakPolarHBondContact O-CB 3.41Å; K92-T95 PolarHBondContact O-N 2.7Å; T93-T95 VanDerWaalsContact C-N 3.26Å; T93-T95 PolarHBondContact O-N 2.65Å; T95-R99 PolarHBondContact O-N 3.07Å
96	Q	98	Very high	98.2	Very high	85 Å²	85	55.7 Å²	55.7	40%	0.397	26%	0.264	S	S	.	.	H	α-helix	trans	-74.8	-44.7	175.9	-55.3	-51.8	-50.6	0	0	111.6	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 2.98Å; T93-Q96 PolarHBondContact O-N 2.96Å; N94-Q96 PolarHBondContact O-N 2.97Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 2.91Å; Q96-R99 WeakPolarHBondContact O-CB 3.47Å; Q96-R99 PolarHBondContact O-N 3.39Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.27Å; Q96-E100 PolarHBondContact O-N 3.34Å
97	T	98	Very high	98.1	Very high	62 Å²	62	52.6 Å²	52.6	38%	0.38	27%	0.266	S	S	.	.	H	α-helix	trans	-58.5	-41.5	178.9	-55.6	0	0	0	0	112.3	T93 N94 E100 S101	T93-T97 PolarHBondContact O-N 3.38Å; T93-T97 PolarHBondContact O-OG1 3.48Å; N94-T97 PolarHBondContact O-N 3.36Å; T97-E100 PolarHBondContact O-N 3.01Å; T97-S101 WeakPolarHBondContact O-CB 3.5Å; T97-S101 PolarHBondContact O-N 3.45Å; T97-S101 PolarHBondContact O-OG 3.1Å
98	Y	98.3	Very high	98.1	Very high	9 Å²	9	54.2 Å²	54.2	4%	0.035	27%	0.272	C	S	.	.	H	α-helix	trans	-71.4	-34.5	178.5	-83.1	-113.9	0	0	0	111.9	H33 F46 N94 Q96 S101 L102 L119 S121	H33-Y98 HydrophobicContact CB-CE1 3.91Å; H33-Y98 WeakPolarHBondContact CB-OH 3.43Å; H33-Y98 AromaticContact ND1-CE2 3.9Å; H33-Y98 AromaticContact ND1-CZ 3.67Å; H33-Y98 PolarHBondContact ND1-OH 3.18Å; F46-Y98 HydrophobicContact CD2-CD1 4.28Å; F46-Y98 HydrophobicContact CD2-CD2 4.28Å; F46-Y98 AromaticContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CE2-CD1 4.05Å; F46-Y98 AromaticContact CE2-CD2 3.72Å; F46-Y98 HydrophobicContact CE2-CD2 3.72Å; F46-Y98 HydrophobicContact CE2-CE1 4.25Å; F46-Y98 AromaticContact CE2-CE2 3.93Å; F46-Y98 HydrophobicContact CE2-CE2 3.93Å; F46-Y98 AromaticContact CE2-CG 3.78Å; F46-Y98 HydrophobicContact CE2-CG 3.78Å; N94-Y98 HydrophobicContact CB-CD2 4.44Å; N94-Y98 HydrophobicContact CB-CE2 4.48Å; N94-Y98 WeakPolarHBondContact O-CD2 3.22Å; N94-Y98 PolarHBondContact O-N 3.25Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 2.91Å; Y98-S101 PolarHBondContact O-N 3.36Å; Y98-L102 WeakPolarHBondContact O-CB 3.5Å; Y98-L102 VanDerWaalsContact O-CG 3.31Å; Y98-L102 WeakPolarHBondContact O-CG 3.29Å; Y98-L102 PolarHBondContact O-N 3.44Å; Y98-L119 HydrophobicContact CD1-CB 4.33Å; Y98-L119 HydrophobicContact CD1-CD2 3.62Å; Y98-L119 HydrophobicContact CD1-CG 3.81Å; Y98-L119 HydrophobicContact CE1-CD2 4.07Å; Y98-L119 HydrophobicContact CE1-CG 3.97Å; Y98-L119 HydrophobicContact CG-CD2 4.24Å; Y98-S121 VanDerWaalsContact OH-CB 3.32Å; Y98-S121 WeakPolarHBondContact OH-CB 3.36Å; Y98-S121 PolarHBondContact OH-OG 3.46Å
99	R	98	Very high	98.1	Very high	44 Å²	44	57 Å²	57	17%	0.166	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-47	172.6	177.6	-169.4	-60.3	169.6	2.2	111.4	E43 P44 T95 Q96 L102 R103	E43-R99 VanDerWaalsContact CD-CZ 3.49Å; E43-R99 WeakPolarHBondContact OE2-CD 3.35Å; E43-R99 IonicContact OE2-CZ 3.74Å; E43-R99 IonicContact OE2-NE 2.72Å; E43-R99 PolarHBondContact OE2-NE 3.25Å; E43-R99 IonicContact OE2-NH1 2.77Å; E43-R99 IonicContact OE2-NH2 3.34Å; P44-R99 HydrophobicContact CG-CB 4.4Å; P44-R99 HydrophobicContact CG-CG 4.15Å; T95-R99 PolarHBondContact O-N 3.07Å; Q96-R99 WeakPolarHBondContact O-CB 3.47Å; Q96-R99 PolarHBondContact O-N 3.39Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.27Å; R99-L102 PolarHBondContact O-N 2.9Å; R99-R103 WeakPolarHBondContact O-CG 3.45Å; R99-R103 PolarHBondContact O-N 3.23Å
100	E	98	Very high	98	Very high	115 Å²	115	59 Å²	59	54%	0.537	30%	0.296	S	S	.	.	H	α-helix	trans	-64.9	-41.9	176.1	-70	178.6	-178.5	0	0	111.6	Q96 T97 L102 R103 N104	Q96-E100 PolarHBondContact O-N 3.34Å; T97-E100 PolarHBondContact O-N 3.01Å; E100-L102 PolarHBondContact O-N 2.95Å; E100-R103 WeakPolarHBondContact O-CB 3.39Å; E100-R103 PolarHBondContact O-N 2.64Å; E100-R103 VanDerWaalsContact O-N 3.15Å; E100-N104 PolarHBondContact O-N 2.78Å; E100-N104 PolarHBondContact O-ND2 3.09Å
101	S	98.3	Very high	98	Very high	38 Å²	38	58.5 Å²	58.5	27%	0.266	29%	0.292	S	S	.	.	H	α-helix	trans	-60.9	-43.2	177.4	-60.1	0	0	0	0	111.9	T97 Y98 R103 N104 L105 L119	T97-S101 WeakPolarHBondContact O-CB 3.5Å; T97-S101 PolarHBondContact O-N 3.45Å; T97-S101 PolarHBondContact O-OG 3.1Å; Y98-S101 PolarHBondContact O-N 3.36Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 3.45Å; S101-N104 PolarHBondContact O-N 3Å; S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 WeakPolarHBondContact O-CD1 3.47Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.31Å; S101-L105 PolarHBondContact O-N 3.04Å; S101-L119 VanDerWaalsContact CB-CD2 3.5Å
102	L	98.4	Very high	97.8	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.042	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-40	174.3	-77.6	168.5	0	0	0	112.2	S35 P44 Y98 R99 E100 R106 H117 L119 Y142	S35-L102 WeakPolarHBondContact OG-CD1 3.42Å; P44-L102 HydrophobicContact CB-CD1 3.72Å; P44-L102 HydrophobicContact CG-CD1 3.91Å; Y98-L102 WeakPolarHBondContact O-CB 3.5Å; Y98-L102 VanDerWaalsContact O-CG 3.31Å; Y98-L102 WeakPolarHBondContact O-CG 3.29Å; Y98-L102 PolarHBondContact O-N 3.44Å; R99-L102 PolarHBondContact O-N 2.9Å; E100-L102 PolarHBondContact O-N 2.95Å; L102-R106 WeakPolarHBondContact O-CB 3.36Å; L102-R106 PolarHBondContact O-N 3.43Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; L102-L119 HydrophobicContact CD2-CB 3.64Å; L102-L119 HydrophobicContact CG-CB 4.08Å; L102-Y142 HydrophobicContact CD2-CE2 3.97Å
103	R	97.3	Very high	97.6	Very high	131 Å²	131	64.2 Å²	64.2	49%	0.494	33%	0.329	S	S	.	.	H	α-helix	trans	-65	-43.2	175.4	-68.8	175	-174.3	170	1.1	111.6	E43 R99 E100 S101 G107	E43-R103 IonicContact OE1-NH2 3.13Å; E43-R103 IonicContact OE2-NH2 3.32Å; R99-R103 WeakPolarHBondContact O-CG 3.45Å; R99-R103 PolarHBondContact O-N 3.23Å; E100-R103 WeakPolarHBondContact O-CB 3.39Å; E100-R103 PolarHBondContact O-N 2.64Å; E100-R103 VanDerWaalsContact O-N 3.15Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 3.45Å; R103-G107 PolarHBondContact O-N 3.48Å
104	N	97.8	Very high	97.3	Very high	81 Å²	81	64.9 Å²	64.9	43%	0.433	34%	0.342	S	S	.	.	H	α-helix	trans	-64.4	-47.7	178	-70	-25.1	0	0	0	111.8	E100 S101 G107 Y108	E100-N104 PolarHBondContact O-N 2.78Å; E100-N104 PolarHBondContact O-ND2 3.09Å; S101-N104 PolarHBondContact O-N 3Å; N104-G107 CarbonylContact O-C 3.48Å; N104-G107 WeakPolarHBondContact O-CA 3.39Å; N104-G107 PolarHBondContact O-N 2.7Å; N104-G107 VanDerWaalsContact O-N 3.1Å; N104-Y108 HydrophobicContact CB-CE2 4.44Å; N104-Y108 WeakPolarHBondContact O-CD1 3.49Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 3.2Å
105	L	98.3	Very high	97.2	Very high	7 Å²	7	64.5 Å²	64.5	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-47.4	179.9	-71.7	163.3	0	0	0	111.1	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 WeakPolarHBondContact O-CD1 3.47Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.31Å; S101-L105 PolarHBondContact O-N 3.04Å; L105-G107 PolarHBondContact O-N 3.17Å; L105-Y108 HydrophobicContact CD2-CD2 4.49Å; L105-Y108 PolarHBondContact O-N 3.12Å; L105-Y108 VanDerWaalsContact O-N 3.08Å; L105-Y109 HydrophobicContact CD2-CE2 4.24Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.33Å; L105-Y109 PolarHBondContact O-N 3.31Å; L105-L119 HydrophobicContact CD1-CD1 3.77Å; L105-L119 HydrophobicContact CD1-CD2 3.99Å; L105-L119 HydrophobicContact CD1-CG 4.31Å; L105-Y142 HydrophobicContact CB-CD1 4.45Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.12Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.59Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 4.11Å; L105-Y142 HydrophobicContact CD2-CG 4.49Å; L105-Y142 HydrophobicContact CG-CD2 4.34Å; L105-Y142 HydrophobicContact CG-CE2 4.42Å; L105-Y147 HydrophobicContact CD2-CD1 4.31Å; L105-Y147 HydrophobicContact CD2-CD2 4.04Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.45Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.45Å; L105-Y147 HydrophobicContact CD2-CG 4.45Å
106	R	97.5	Very high	97.1	Very high	64 Å²	64	67.3 Å²	67.3	24%	0.242	37%	0.366	C	S	.	.	H	α-helix	trans	-53.3	-42.4	173.7	-174	-172.6	65.6	176.7	10.3	111.8	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.36Å; L102-R106 PolarHBondContact O-N 3.43Å; R106-N110 PolarHBondContact O-N 2.83Å; R106-N110 VanDerWaalsContact O-N 3.16Å; R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 WeakPolarHBondContact CG-O 3.32Å; R106-Q111 PolarHBondContact O-N 3.02Å; R106-E113 IonicContact CZ-OE1 3Å; R106-E113 IonicContact NH1-OE1 2.7Å; R106-E113 PolarHBondContact NH1-OE1 2.95Å; R106-E113 IonicContact NH2-OE1 2.78Å; R106-E113 PolarHBondContact NH2-OE1 3.48Å
107	G	97.5	Very high	97.1	Very high	43 Å²	43	64 Å²	64	44%	0.443	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-46.9	175.1	0	0	0	0	0	113.1	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.48Å; N104-G107 CarbonylContact O-C 3.48Å; N104-G107 WeakPolarHBondContact O-CA 3.39Å; N104-G107 PolarHBondContact O-N 2.7Å; N104-G107 VanDerWaalsContact O-N 3.1Å; L105-G107 PolarHBondContact O-N 3.17Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.41Å; G107-N110 PolarHBondContact O-N 2.96Å; G107-N110 VanDerWaalsContact O-N 3.11Å
108	Y	98.1	Very high	97.2	Very high	54 Å²	54	62.8 Å²	62.8	21%	0.212	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-35.6	179.4	-61.6	-18.7	0	0	0	112.9	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.44Å; N104-Y108 WeakPolarHBondContact O-CD1 3.49Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 3.2Å; L105-Y108 HydrophobicContact CD2-CD2 4.49Å; L105-Y108 PolarHBondContact O-N 3.12Å; L105-Y108 VanDerWaalsContact O-N 3.08Å; Y108-I166 HydrophobicContact CD1-CD1 4.12Å; Y108-I166 HydrophobicContact CE1-CD1 4.48Å; Y108-I166 HydrophobicContact CE1-CG2 4Å; Y108-I166 HydrophobicContact CE2-CB 4.4Å; Y108-I166 HydrophobicContact CE2-CG2 4.17Å; Y108-I166 HydrophobicContact CG-CD1 4.22Å; Y108-K170 PolarHBondContact OH-NZ 2.05Å
109	Y	98	Very high	97.2	Very high	67 Å²	67	62.6 Å²	62.6	26%	0.263	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.2	178.5	-69.7	-71.2	0	0	0	113.9	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.24Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.33Å; L105-Y109 PolarHBondContact O-N 3.31Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.41Å; Y109-Q111 PolarHBondContact O-N 2.89Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.15Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 2.98Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.42Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.1Å; Y109-D161 PolarHBondContact OH-OD2 3.32Å; Y109-A163 HydrophobicContact CD1-CB 4.12Å; Y109-A163 HydrophobicContact CD2-CB 4.4Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	97.1	Very high	97.2	Very high	153 Å²	153	64 Å²	64	82%	0.818	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.5	-176.9	-57.9	-58.5	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 2.83Å; R106-N110 VanDerWaalsContact O-N 3.16Å; G107-N110 PolarHBondContact O-N 2.96Å; G107-N110 VanDerWaalsContact O-N 3.11Å
111	Q	97.3	Very high	97.3	Very high	59 Å²	59	58.9 Å²	58.9	28%	0.276	33%	0.328	S	S	.	.			trans	-86	150.6	-176.2	-71.4	169.4	-33.1	0	0	111.8	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.8Å; R106-Q111 WeakPolarHBondContact CG-O 3.32Å; R106-Q111 PolarHBondContact O-N 3.02Å; Y109-Q111 PolarHBondContact O-N 2.89Å; Q111-H117 PolarHBondContact NE2-CE1 3.02Å; Q111-H117 PolarHBondContact OE1-CE1 3.3Å; Q111-H117 PolarHBondContact OE1-ND1 2.94Å; Q111-Y142 PolarHBondContact OE1-OH 3.42Å; Q111-D143 PolarHBondContact NE2-OD2 3.39Å
112	S	95.5	Very high	97.3	Very high	83 Å²	83	58 Å²	58	58%	0.58	32%	0.32	S	S	*	.			trans	-66.4	147	178.2	175.9	0	0	0	0	112.4	A114 G115	S112-A114 PolarHBondContact O-N 2.94Å; S112-A114 PolarHBondContact OG-N 3.48Å; S112-G115 PolarHBondContact O-N 3.29Å
113	E	92.9	Very high	97.3	Very high	129 Å²	129	59.5 Å²	59.5	60%	0.603	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.4	175.1	-55.3	-153.2	127.4	0	0	113.9	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CB-O 3.31Å; P39-E113 WeakPolarHBondContact CG-O 3.42Å; R106-E113 IonicContact CZ-OE1 3Å; R106-E113 IonicContact NH1-OE1 2.7Å; R106-E113 PolarHBondContact NH1-OE1 2.95Å; R106-E113 IonicContact NH2-OE1 2.78Å; R106-E113 PolarHBondContact NH2-OE1 3.48Å; E113-G115 VanDerWaalsContact C-N 3.28Å
114	A	93.6	Very high	97.4	Very high	84 Å²	84	53.3 Å²	53.3	69%	0.694	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-15.3	178.7	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 2.94Å; S112-A114 PolarHBondContact OG-N 3.48Å
115	G	94.3	Very high	97.4	Very high	25 Å²	25	49.4 Å²	49.4	26%	0.258	28%	0.281	S	S	.	.	S	Bend	trans	-75.7	135.2	-179.2	0	0	0	0	0	112.9	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.29Å; S112-G115 PolarHBondContact O-N 3.29Å; E113-G115 VanDerWaalsContact C-N 3.28Å; G115-H117 PolarHBondContact O-CD2 3.48Å; G115-H117 VanDerWaalsContact O-CD2 3.26Å
116	S	97.6	Very high	97.4	Very high	73 Å²	73	50.5 Å²	50.5	51%	0.51	29%	0.287	S	S	.	.			trans	-81.8	134	164.3	179.9	0	0	0	0	108.9	S37	S37-S116 WeakPolarHBondContact O-CB 3.17Å; S37-S116 PolarHBondContact O-OG 3.37Å
117	H	98.4	Very high	97.4	Very high	16 Å²	16	47.5 Å²	47.5	7%	0.074	28%	0.276	C	S	.	.			trans	-132.5	150.4	-175.5	-64.8	-70.7	0	0	0	110.1	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.39Å; S37-H117 PolarHBondContact N-O 3Å; S37-H117 PolarHBondContact OG-N 3.47Å; S37-H117 PolarHBondContact OG-O 3.32Å; L102-H117 HydrophobicContact CD2-CB 4.27Å; Q111-H117 PolarHBondContact NE2-CE1 3.02Å; Q111-H117 PolarHBondContact OE1-CE1 3.3Å; Q111-H117 PolarHBondContact OE1-ND1 2.94Å; G115-H117 PolarHBondContact O-CD2 3.48Å; G115-H117 VanDerWaalsContact O-CD2 3.26Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.36Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.06Å; H117-D143 WeakPolarHBondContact CA-OD1 3.44Å; H117-D143 IonicContact CE1-OD2 3.62Å; H117-D143 IonicContact CG-OD1 2.87Å; H117-D143 IonicContact CG-OD2 3.38Å; H117-D143 IonicContact ND1-OD1 3.99Å; H117-D143 IonicContact ND1-OD2 2.64Å; H117-D143 PolarHBondContact ND1-OD2 3.41Å
118	T	98.8	Very high	97.3	Very high	36 Å²	36	45.7 Å²	45.7	22%	0.221	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.8	-176	-59	0	0	0	0	110.5	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.11Å; S35-T118 CarbonylContact O-C 3.51Å; S35-T118 WeakPolarHBondContact O-CA 3.48Å; V36-T118 HydrophobicContact CG2-CG2 4.12Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 WeakPolarHBondContact O-CD2 3.39Å; T118-D143 PolarHBondContact N-OD1 2.88Å; T118-D143 PolarHBondContact O-N 2.79Å
119	L	98.8	Very high	97.1	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123	171.2	175.5	60.8	0	0	0	108.7	S35 Y98 S101 L102 L105 Y140 A141	S35-L119 PolarHBondContact N-O 3.33Å; S35-L119 PolarHBondContact O-N 2.89Å; Y98-L119 HydrophobicContact CD1-CB 4.33Å; Y98-L119 HydrophobicContact CD1-CD2 3.62Å; Y98-L119 HydrophobicContact CD1-CG 3.81Å; Y98-L119 HydrophobicContact CE1-CD2 4.07Å; Y98-L119 HydrophobicContact CE1-CG 3.97Å; Y98-L119 HydrophobicContact CG-CD2 4.24Å; S101-L119 VanDerWaalsContact CB-CD2 3.5Å; L102-L119 HydrophobicContact CD2-CB 3.64Å; L102-L119 HydrophobicContact CG-CB 4.08Å; L105-L119 HydrophobicContact CD1-CD1 3.77Å; L105-L119 HydrophobicContact CD1-CD2 3.99Å; L105-L119 HydrophobicContact CD1-CG 4.31Å; L119-Y140 HydrophobicContact CD1-CD1 4.31Å; L119-A141 WeakPolarHBondContact CD1-O 3.36Å
120	Q	98.8	Very high	96.8	Very high	74 Å²	74	49.5 Å²	49.5	35%	0.346	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	150.8	178.5	-65.8	171.2	-85.9	0	0	110.2	H33 T34 T118 Y140 A141	H33-Q120 CarbonylContact O-C 3.51Å; H33-Q120 WeakPolarHBondContact O-CA 3.32Å; T34-Q120 HydrophobicContact CG2-CG 4.09Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; Q120-Y140 CarbonylContact O-C 3.54Å; Q120-Y140 VanDerWaalsContact O-CA 3.26Å; Q120-Y140 WeakPolarHBondContact O-CA 3.17Å; Q120-A141 HydrophobicContact CB-CB 4.41Å; Q120-A141 PolarHBondContact N-O 2.75Å; Q120-A141 PolarHBondContact O-N 3.41Å
121	S	98.6	Very high	96.6	Very high	7 Å²	7	42.8 Å²	42.8	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.5	165	74.8	0	0	0	0	111.8	F32 H33 Y98 Q139 Y140	F32-S121 WeakPolarHBondContact CA-O 3.31Å; H33-S121 WeakPolarHBondContact CB-OG 3.47Å; H33-S121 PolarHBondContact N-O 3.15Å; H33-S121 PolarHBondContact O-N 3.49Å; Y98-S121 VanDerWaalsContact OH-CB 3.32Å; Y98-S121 WeakPolarHBondContact OH-CB 3.36Å; Y98-S121 PolarHBondContact OH-OG 3.46Å; S121-Q139 CarbonylContact C-O 3.55Å; S121-Q139 WeakPolarHBondContact CA-O 3.4Å; S121-Q139 WeakPolarHBondContact CB-O 3.4Å; S121-Y140 VanDerWaalsContact CB-CD1 3.48Å
122	M	98.7	Very high	96.5	Very high	21 Å²	21	48.1 Å²	48.1	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.8	167.9	-176.4	-78.5	-69.9	0	0	108.2	Y31 F32 H137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.5Å; F32-M122 HydrophobicContact CD1-CB 3.98Å; F32-M122 HydrophobicContact CD1-CG 3.71Å; F32-M122 HydrophobicContact CE1-CB 4.08Å; F32-M122 HydrophobicContact CE1-CG 3.39Å; F32-M122 HydrophobicContact CZ-CG 3.98Å; M122-H137 HydrophobicContact CE-CB 3.93Å; M122-H137 HydrophobicContact SD-CB 4Å; M122-N138 WeakPolarHBondContact O-CA 3.24Å; M122-Q139 HydrophobicContact CB-CG 4.18Å; M122-Q139 HydrophobicContact CE-CG 4.06Å; M122-Q139 PolarHBondContact N-O 2.83Å; M122-Q139 PolarHBondContact O-N 3.08Å
123	Y	98.6	Very high	96.6	Very high	39 Å²	39	46.6 Å²	46.6	15%	0.153	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	158	171.3	68.3	-79.5	0	0	0	110.4	Y31 H33 H137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.47Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 AromaticContact CD2-CE2 3.76Å; Y31-Y123 HydrophobicContact CD2-CE2 3.76Å; Y31-Y123 AromaticContact CD2-CZ 3.84Å; Y31-Y123 HydrophobicContact CG-CE1 4.34Å; Y31-Y123 HydrophobicContact CG-CE2 4.22Å; Y31-Y123 AromaticContact CG-CZ 3.81Å; Y31-Y123 PolarHBondContact N-O 3.25Å; Y31-Y123 PolarHBondContact O-N 3.35Å; Y31-Y123 VanDerWaalsContact O-N 3.16Å; H33-Y123 AromaticContact CE1-CE1 3.37Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.23Å; H33-Y123 AromaticContact CE1-CZ 3.95Å; H33-Y123 AromaticContact ND1-CE1 3.95Å; H33-Y123 AromaticContact NE2-CE1 3.53Å; H33-Y123 AromaticContact NE2-CZ 3.98Å; H33-Y123 PolarHBondContact NE2-OH 2.96Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.39Å; Y123-H137 VanDerWaalsContact CB-O 3.27Å; Y123-H137 WeakPolarHBondContact CB-O 3.25Å; Y123-Y183 AromaticContact CD2-CE1 3.93Å; Y123-Y183 HydrophobicContact CD2-CE1 3.93Å; Y123-Y183 AromaticContact CE2-CE1 3.96Å; Y123-Y183 HydrophobicContact CE2-CE1 3.96Å
124	G	98.6	Very high	96.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-176.8	-177.4	0	0	0	0	0	113.6	M29 H137 L184	M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.5Å; G124-H137 PolarHBondContact N-O 3.29Å; G124-H137 PolarHBondContact O-N 2.82Å; G124-L184 VanDerWaalsContact O-CD2 3.22Å; G124-L184 WeakPolarHBondContact O-CD2 3.47Å
125	C	98.7	Very high	97	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.9	-175.2	50.7	0	0	0	0	110.8	S28 M29 L133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.35Å; M29-C125 PolarHBondContact N-O 2.92Å; M29-C125 PolarHBondContact O-N 2.94Å; C125-L133 HydrophobicContact CB-CD1 3.6Å; C125-R135 CarbonylContact C-O 3.51Å; C125-R135 WeakPolarHBondContact CA-O 3.49Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 3.33Å; C125-C188 WeakPolarHBondContact SG-CB 3.47Å; C125-C188 PolarHBondContact SG-O 3.48Å; C125-C188 VanDerWaalsContact SG-O 3.42Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 2.9Å; C125-V189 HydrophobicContact CB-CG2 4.4Å
126	D	98.3	Very high	97.2	Very high	30 Å²	30	46.2 Å²	46.2	16%	0.16	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.4	171.8	-53.5	-26.4	0	0	0	108.3	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.52Å; H27-D126 WeakPolarHBondContact O-CA 3.3Å; S28-D126 WeakPolarHBondContact CB-OD1 3.13Å; R30-D126 IonicContact CZ-OD1 2.94Å; R30-D126 IonicContact NE-OD1 2.96Å; R30-D126 PolarHBondContact NE-OD1 3.34Å; R30-D126 VanDerWaalsContact NE-OD1 3.13Å; R30-D126 VanDerWaalsContact NH2-CG 3.29Å; R30-D126 IonicContact NH2-OD1 3.99Å; R30-D126 PolarHBondContact NH2-OD1 3.2Å; R30-D126 IonicContact NH2-OD2 3.71Å; R30-D126 PolarHBondContact NH2-OD2 2.95Å; D126-L134 HydrophobicContact CB-CB 4.47Å; D126-L134 PolarHBondContact O-N 3.01Å; D126-R135 HydrophobicContact CB-CB 4.35Å; D126-R135 PolarHBondContact N-O 2.83Å; D126-R135 PolarHBondContact O-N 3.12Å; D126-H137 IonicContact OD1-NE2 3.49Å; D126-H137 IonicContact OD2-CD2 3.56Å; D126-H137 IonicContact OD2-CE1 3.86Å; D126-H137 IonicContact OD2-NE2 3.94Å; D126-H137 PolarHBondContact OD2-NE2 3.48Å
127	V	97.8	Very high	97.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.1	179.1	-60.4	0	0	0	0	111	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.53Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.34Å; H27-V127 HydrophobicContact CB-CG2 4.02Å; H27-V127 PolarHBondContact N-O 3.17Å; H27-V127 PolarHBondContact O-N 2.95Å; V127-R132 CarbonylContact C-O 3.53Å; V127-R132 WeakPolarHBondContact CA-O 3.18Å; V127-R132 WeakPolarHBondContact CB-O 3.3Å; V127-V189 HydrophobicContact CG1-CB 4.42Å; V127-V189 HydrophobicContact CG1-CG1 4Å; V127-V189 HydrophobicContact CG1-CG2 4Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.92Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.2Å
128	G	95.4	Very high	97.2	Very high	4 Å²	4	43.2 Å²	43.2	4%	0.041	22%	0.216	C	C	.	.			trans	-78.8	-179.7	173.5	0	0	0	0	0	112.3	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.17Å; G128-G131 WeakPolarHBondContact O-CA 3.35Å; G128-G131 PolarHBondContact O-N 2.79Å; G128-R132 PolarHBondContact N-O 2.94Å
129	P	92.8	Very high	97.2	Very high	106 Å²	106	45.3 Å²	45.3	69%	0.688	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	176.6	-23.2	32.7	0	0	0	114.1	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.11Å; G25-P129 WeakPolarHBondContact O-CA 3.36Å; P129-G131 PolarHBondContact O-N 3.42Å
130	D	92.4	Very high	97.2	Very high	96 Å²	96	47.3 Å²	47.3	51%	0.513	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2.1	174.1	70.6	-11	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 3.17Å; D130-R132 PolarHBondContact O-N 3Å; D130-R132 WeakPolarHBondContact OD1-CB 3.47Å; D130-R132 PolarHBondContact OD1-N 3.27Å; D130-R132 WeakPolarHBondContact OD2-CD 3.48Å; D130-R132 WeakPolarHBondContact OD2-CG 3.19Å; D130-R132 IonicContact OD2-CZ 3.48Å; D130-R132 IonicContact OD2-NE 3.72Å; D130-R132 IonicContact OD2-NH1 2.7Å
131	G	92.8	Very high	97.2	Very high	11 Å²	11	44.6 Å²	44.6	11%	0.113	22%	0.221	C	C	.	.			trans	73.2	4.1	-177.9	0	0	0	0	0	114.3	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.35Å; G128-G131 PolarHBondContact O-N 2.79Å; P129-G131 PolarHBondContact O-N 3.42Å; G131-V189 WeakPolarHBondContact O-CG1 3.37Å; G131-R193 VanDerWaalsContact C-NH2 3.28Å; G131-R193 PolarHBondContact O-NE 2.84Å; G131-R193 PolarHBondContact O-NH2 3.23Å
132	R	95.6	Very high	97.2	Very high	172 Å²	172	44.8 Å²	44.8	65%	0.649	22%	0.221	S	C	*	.			trans	-79.4	149.5	-179.7	-64.5	-174.5	-177.1	163.4	-2.7	111.2	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.53Å; V127-R132 WeakPolarHBondContact CA-O 3.18Å; V127-R132 WeakPolarHBondContact CB-O 3.3Å; G128-R132 PolarHBondContact N-O 2.94Å; D130-R132 PolarHBondContact O-N 3Å; D130-R132 WeakPolarHBondContact OD1-CB 3.47Å; D130-R132 PolarHBondContact OD1-N 3.27Å; D130-R132 WeakPolarHBondContact OD2-CD 3.48Å; D130-R132 WeakPolarHBondContact OD2-CG 3.19Å; D130-R132 IonicContact OD2-CZ 3.48Å; D130-R132 IonicContact OD2-NE 3.72Å; D130-R132 IonicContact OD2-NH1 2.7Å; R132-L134 PolarHBondContact O-N 2.64Å
133	L	97.6	Very high	97.2	Very high	51 Å²	51	46.8 Å²	46.8	27%	0.267	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	124.3	176	-175	72.8	0	0	0	110.2	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.6Å; L133-R135 WeakPolarHBondContact CD1-O 3.45Å; L133-L154 HydrophobicContact CD2-CD1 4.21Å; L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.84Å
134	L	97.3	Very high	97.2	Very high	118 Å²	118	47.7 Å²	47.7	62%	0.618	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	-45.4	167.9	-64.2	178.2	0	0	0	110.7	D126 R132	D126-L134 HydrophobicContact CB-CB 4.47Å; D126-L134 PolarHBondContact O-N 3.01Å; R132-L134 PolarHBondContact O-N 2.64Å
135	R	97.2	Very high	97.2	Very high	105 Å²	105	55.3 Å²	55.3	40%	0.396	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	137.8	-175.5	-171.5	172.4	175.8	137.8	8.3	111.5	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.51Å; C125-R135 WeakPolarHBondContact CA-O 3.49Å; D126-R135 HydrophobicContact CB-CB 4.35Å; D126-R135 PolarHBondContact N-O 2.83Å; D126-R135 PolarHBondContact O-N 3.12Å; L133-R135 WeakPolarHBondContact CD1-O 3.45Å; R135-H137 WeakPolarHBondContact CD-CE1 3.4Å; R135-H137 PolarHBondContact NE-CE1 2.87Å; R135-E152 IonicContact CZ-OE1 2.82Å; R135-E152 IonicContact NH1-OE1 3.54Å; R135-E152 PolarHBondContact NH1-OE1 2.8Å; R135-E152 IonicContact NH2-OE1 3.86Å; R135-E152 PolarHBondContact NH2-OE1 2.83Å
136	G	98.2	Very high	97.2	Very high	6 Å²	6	61.3 Å²	61.3	6%	0.062	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	147.9	168.1	0	0	0	0	0	110.7
137	H	98.3	Very high	97.2	Very high	22 Å²	22	60.3 Å²	60.3	10%	0.102	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.1	-179.4	-55.4	-94.9	0	0	0	109.9	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 2.91Å; R30-H137 VanDerWaalsContact NH2-NE2 3.15Å; M122-H137 HydrophobicContact CE-CB 3.93Å; M122-H137 HydrophobicContact SD-CB 4Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.39Å; Y123-H137 VanDerWaalsContact CB-O 3.27Å; Y123-H137 WeakPolarHBondContact CB-O 3.25Å; G124-H137 PolarHBondContact N-O 3.29Å; G124-H137 PolarHBondContact O-N 2.82Å; D126-H137 IonicContact OD1-NE2 3.49Å; D126-H137 IonicContact OD2-CD2 3.56Å; D126-H137 IonicContact OD2-CE1 3.86Å; D126-H137 IonicContact OD2-NE2 3.94Å; D126-H137 PolarHBondContact OD2-NE2 3.48Å; R135-H137 WeakPolarHBondContact CD-CE1 3.4Å; R135-H137 PolarHBondContact NE-CE1 2.87Å
138	N	98.6	Very high	97.2	Very high	5 Å²	5	60.5 Å²	60.5	3%	0.027	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	113.2	160.2	-171.3	-4.7	0	0	0	109.4	M122 Y140 L150 L180	M122-N138 WeakPolarHBondContact O-CA 3.24Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.24Å; N138-L150 HydrophobicContact CB-CB 4.12Å; N138-L150 HydrophobicContact CB-CD2 4.27Å; N138-L150 WeakPolarHBondContact O-CB 3.08Å; N138-L150 PolarHBondContact O-N 2.97Å; N138-L180 HydrophobicContact CB-CD1 4.37Å; N138-L180 WeakPolarHBondContact ND2-CD1 3.27Å; N138-L180 WeakPolarHBondContact ND2-CD2 3.05Å
139	Q	98.6	Very high	97.4	Very high	79 Å²	79	61.7 Å²	61.7	37%	0.369	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.6	-176.1	64.3	-168.2	44.4	0	0	111.7	S121 M122 I148 A149	S121-Q139 CarbonylContact C-O 3.55Å; S121-Q139 WeakPolarHBondContact CA-O 3.4Å; S121-Q139 WeakPolarHBondContact CB-O 3.4Å; M122-Q139 HydrophobicContact CB-CG 4.18Å; M122-Q139 HydrophobicContact CE-CG 4.06Å; M122-Q139 PolarHBondContact N-O 2.83Å; M122-Q139 PolarHBondContact O-N 3.08Å; Q139-I148 WeakPolarHBondContact CA-O 3.36Å; Q139-A149 HydrophobicContact CB-CB 3.89Å
140	Y	98.8	Very high	97.7	Very high	47 Å²	47	57.3 Å²	57.3	18%	0.184	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144	-178.6	-64.4	-102.2	0	0	0	110.5	L119 Q120 S121 N138 Y147 I148 W171	L119-Y140 HydrophobicContact CD1-CD1 4.31Å; Q120-Y140 CarbonylContact O-C 3.54Å; Q120-Y140 VanDerWaalsContact O-CA 3.26Å; Q120-Y140 WeakPolarHBondContact O-CA 3.17Å; S121-Y140 VanDerWaalsContact CB-CD1 3.48Å; N138-Y140 WeakPolarHBondContact OD1-CE2 3.24Å; Y140-Y147 WeakPolarHBondContact O-CB 3.4Å; Y140-Y147 PolarHBondContact O-N 2.72Å; Y140-I148 HydrophobicContact CD2-CG2 4.06Å; Y140-I148 HydrophobicContact CG-CG2 4.44Å; Y140-I148 PolarHBondContact N-O 2.99Å; Y140-I148 PolarHBondContact O-N 2.85Å; Y140-W171 AromaticContact CD2-CH2 3.79Å; Y140-W171 HydrophobicContact CD2-CH2 3.79Å; Y140-W171 HydrophobicContact CD2-CZ3 4.24Å; Y140-W171 AromaticContact CE2-CH2 3.43Å; Y140-W171 HydrophobicContact CE2-CH2 3.43Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.43Å; Y140-W171 HydrophobicContact CE2-CZ2 4.5Å; Y140-W171 AromaticContact CE2-CZ3 4Å; Y140-W171 HydrophobicContact CE2-CZ3 4Å; Y140-W171 AromaticContact CZ-CH2 3.9Å
141	A	98.9	Very high	98	Very high	16 Å²	16	54.8 Å²	54.8	13%	0.132	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.6	172.9	0	0	0	0	0	110.3	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.36Å; Q120-A141 HydrophobicContact CB-CB 4.41Å; Q120-A141 PolarHBondContact N-O 2.75Å; Q120-A141 PolarHBondContact O-N 3.41Å; A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 3.24Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.17Å
142	Y	98.8	Very high	98.2	Very high	12 Å²	12	60.8 Å²	60.8	5%	0.047	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128	177.3	-175.2	-117	0	0	0	109.9	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 3.97Å; L105-Y142 HydrophobicContact CB-CD1 4.45Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.12Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.59Å; L105-Y142 HydrophobicContact CD1-CE2 3.92Å; L105-Y142 HydrophobicContact CD1-CG 4.11Å; L105-Y142 HydrophobicContact CD2-CG 4.49Å; L105-Y142 HydrophobicContact CG-CD2 4.34Å; L105-Y142 HydrophobicContact CG-CE2 4.42Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.53Å; Y109-Y142 HydrophobicContact CD2-CE1 3.53Å; Y109-Y142 AromaticContact CE2-CD1 3.52Å; Y109-Y142 HydrophobicContact CE2-CD1 3.52Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CG 4.49Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Q111-Y142 PolarHBondContact OE1-OH 3.42Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.36Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.94Å; H117-Y142 PolarHBondContact ND1-OH 3.06Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 WeakPolarHBondContact O-CD2 3.39Å; Y142-G144 PolarHBondContact O-N 2.86Å; Y142-K145 PolarHBondContact N-O 3.15Å; Y142-K145 PolarHBondContact O-N 2.88Å
143	D	98.4	Very high	98.3	Very high	62 Å²	62	56.2 Å²	56.2	33%	0.332	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.8	-174.6	-65.9	-22.5	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.39Å; H117-D143 WeakPolarHBondContact CA-OD1 3.44Å; H117-D143 IonicContact CE1-OD2 3.62Å; H117-D143 IonicContact CG-OD1 2.87Å; H117-D143 IonicContact CG-OD2 3.38Å; H117-D143 IonicContact ND1-OD1 3.99Å; H117-D143 IonicContact ND1-OD2 2.64Å; H117-D143 PolarHBondContact ND1-OD2 3.41Å; T118-D143 PolarHBondContact N-OD1 2.88Å; T118-D143 PolarHBondContact O-N 2.79Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.83Å
144	G	97.6	Very high	98.3	Very high	59 Å²	59	54.2 Å²	54.2	61%	0.608	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	7.2	177.8	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 2.86Å
145	K	98.6	Very high	98.3	Very high	159 Å²	159	56.5 Å²	56.5	69%	0.691	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	145	176.9	-62.2	179.7	-177.5	178	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 3.24Å; A141-K145 VanDerWaalsContact CB-O 3.27Å; A141-K145 WeakPolarHBondContact CB-O 3.17Å; Y142-K145 PolarHBondContact N-O 3.15Å; Y142-K145 PolarHBondContact O-N 2.88Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.83Å; K145-Y147 PolarHBondContact O-N 3.13Å
146	D	98.7	Very high	98.4	Very high	126 Å²	126	53.4 Å²	53.4	67%	0.674	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.2	135.3	174.1	-66.5	-35.3	0	0	0	110.6	A160	D146-A160 WeakPolarHBondContact O-CB 3.34Å
147	Y	98.8	Very high	98.4	Very high	10 Å²	10	53.7 Å²	53.7	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-62.9	-179	178.3	-110.8	0	0	0	110.5	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.31Å; L105-Y147 HydrophobicContact CD2-CD2 4.04Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.45Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.45Å; L105-Y147 HydrophobicContact CD2-CG 4.45Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.15Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.41Å; Y109-Y147 WeakPolarHBondContact OH-CE2 2.98Å; Y140-Y147 WeakPolarHBondContact O-CB 3.4Å; Y140-Y147 PolarHBondContact O-N 2.72Å; K145-Y147 PolarHBondContact O-N 3.13Å; Y147-A160 WeakPolarHBondContact O-CB 3.2Å; Y147-A160 PolarHBondContact O-N 2.83Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.69Å; Y147-A163 VanDerWaalsContact OH-O 3.07Å; Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 VanDerWaalsContact CE2-CA 3.46Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.35Å; Y147-A164 WeakPolarHBondContact O-CB 3.22Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 WeakPolarHBondContact OH-CB 3.33Å; Y147-T167 PolarHBondContact OH-OG1 3.42Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	140.8	178.4	-161.9	172.8	0	0	0	110.3	Q139 Y140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.36Å; Y140-I148 HydrophobicContact CD2-CG2 4.06Å; Y140-I148 HydrophobicContact CG-CG2 4.44Å; Y140-I148 PolarHBondContact N-O 2.99Å; Y140-I148 PolarHBondContact O-N 2.85Å; I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.17Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; I148-T158 WeakPolarHBondContact CA-O 3.48Å; I148-T167 HydrophobicContact CD1-CG2 4.24Å; I148-Q168 HydrophobicContact CD1-CB 3.91Å; I148-W171 HydrophobicContact CD1-CE3 4.16Å; I148-W171 HydrophobicContact CD1-CZ3 4.37Å; I148-W171 HydrophobicContact CG2-CH2 4.09Å; I148-W171 HydrophobicContact CG2-CZ3 3.76Å
149	A	98.8	Very high	98.4	Very high	30 Å²	30	57.3 Å²	57.3	25%	0.248	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.6	178.7	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.89Å; A149-W157 WeakPolarHBondContact O-CA 3.34Å; A149-T158 PolarHBondContact N-O 2.91Å; A149-T158 PolarHBondContact O-N 2.95Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.073	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.6	168.3	-175.6	67.3	0	0	0	108.4	N138 L154 W157 A177 L180 L184	N138-L150 HydrophobicContact CB-CB 4.12Å; N138-L150 HydrophobicContact CB-CD2 4.27Å; N138-L150 WeakPolarHBondContact O-CB 3.08Å; N138-L150 PolarHBondContact O-N 2.97Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; L150-W157 HydrophobicContact CB-CE3 4.06Å; L150-W157 HydrophobicContact CB-CH2 4.17Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.22Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; L150-A177 HydrophobicContact CD1-CB 3.99Å; L150-L180 HydrophobicContact CD2-CB 4.27Å; L150-L180 HydrophobicContact CD2-CD1 4.43Å; L150-L184 HydrophobicContact CD2-CD1 3.99Å
151	N	98.6	Very high	98.4	Very high	43 Å²	43	56.9 Å²	56.9	23%	0.23	32%	0.316	C	S	.	.			trans	-72.6	163.9	-179.7	-67.4	-28	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.38Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 3.02Å; N151-S156 WeakPolarHBondContact CB-O 3.42Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 3.33Å; N151-S156 PolarHBondContact ND2-OG 2.88Å; N151-T158 PolarHBondContact ND2-OG1 2.6Å; N151-T158 WeakPolarHBondContact OD1-CB 3.47Å; N151-T158 PolarHBondContact OD1-OG1 3.15Å
152	E	97.4	Very high	98.4	Very high	136 Å²	136	61.4 Å²	61.4	64%	0.636	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.8	-179.6	-66.5	-179.5	-176.3	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 2.82Å; R135-E152 IonicContact NH1-OE1 3.54Å; R135-E152 PolarHBondContact NH1-OE1 2.8Å; R135-E152 IonicContact NH2-OE1 3.86Å; R135-E152 PolarHBondContact NH2-OE1 2.83Å; E152-L154 PolarHBondContact O-N 3.26Å
153	D	97.4	Very high	98.3	Very high	77 Å²	77	61 Å²	61	41%	0.412	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.3	174.2	69.8	5.7	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.38Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-R155 WeakPolarHBondContact O-CG 3.22Å; D153-R155 PolarHBondContact O-N 3.46Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 3.4Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.94Å; D153-S156 PolarHBondContact OD1-OG 3.4Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.38Å; D153-S156 PolarHBondContact OD2-OG 2.95Å
154	L	98.1	Very high	98.3	Very high	8 Å²	8	58 Å²	58	4%	0.042	33%	0.325	C	S	.	.	S	Bend	trans	53.7	27	-175.2	-53.5	-178.7	0	0	0	113.9	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.21Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.75Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; N151-L154 PolarHBondContact O-N 3.02Å; E152-L154 PolarHBondContact O-N 3.26Å; L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L154-E185 HydrophobicContact CD1-CG 4.21Å
155	R	97.8	Very high	98.4	Very high	166 Å²	166	58.8 Å²	58.8	63%	0.626	31%	0.313	S	S	*	.	S	Bend	trans	-133.9	-32.2	-174.2	-71.2	171	-175.3	-122.9	10.5	112.8	D153 A177	D153-R155 WeakPolarHBondContact O-CG 3.22Å; D153-R155 PolarHBondContact O-N 3.46Å; D153-R155 VanDerWaalsContact O-N 3.17Å; D153-R155 PolarHBondContact OD1-N 3.4Å; R155-A177 WeakPolarHBondContact O-CB 3.4Å
156	S	98.1	Very high	98.4	Very high	41 Å²	41	54.1 Å²	54.1	29%	0.287	30%	0.295	S	S	.	.			trans	-115.5	163.9	-176.9	64.7	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.42Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 3.33Å; N151-S156 PolarHBondContact ND2-OG 2.88Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 2.94Å; D153-S156 PolarHBondContact OD1-OG 3.4Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.38Å; D153-S156 PolarHBondContact OD2-OG 2.95Å
157	W	98.8	Very high	98.4	Very high	11 Å²	11	48.8 Å²	48.8	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.3	-176.2	-61.3	93.8	0	0	0	110.9	I148 A149 L150 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.4Å; I148-W157 HydrophobicContact CD1-CE3 4.17Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; A149-W157 WeakPolarHBondContact O-CA 3.34Å; L150-W157 HydrophobicContact CB-CE3 4.06Å; L150-W157 HydrophobicContact CB-CH2 4.17Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.22Å; L150-W157 HydrophobicContact CD1-CE3 4.29Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.2Å; W157-Q168 HydrophobicContact CB-CG 4.08Å; W157-Q168 PolarHBondContact O-NE2 3.07Å; W157-W171 HydrophobicContact CD2-CE3 4.02Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CH2-CD2 4.4Å; W157-W171 AromaticContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CH2 4.49Å; W157-W171 AromaticContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CZ3 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.5Å; W157-W171 HydrophobicContact CZ3-CE3 3.5Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.5Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; W157-V176 HydrophobicContact CH2-CG1 4.47Å; W157-V176 HydrophobicContact CZ2-CB 4.3Å; W157-V176 HydrophobicContact CZ2-CG1 4.08Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.83Å
158	T	98.8	Very high	98.4	Very high	80 Å²	80	50.2 Å²	50.2	49%	0.491	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117	165.4	-65.8	0	0	0	0	108.9	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.48Å; A149-T158 PolarHBondContact N-O 2.91Å; A149-T158 PolarHBondContact O-N 2.95Å; N151-T158 PolarHBondContact ND2-OG1 2.6Å; N151-T158 WeakPolarHBondContact OD1-CB 3.47Å; N151-T158 PolarHBondContact OD1-OG1 3.15Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	57.4 Å²	57.4	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.5	176.2	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.7Å; A159-Q165 HydrophobicContact CB-CG 4.01Å; A159-Q168 HydrophobicContact CB-CB 4.43Å
160	A	98.5	Very high	98.3	Very high	63 Å²	63	61.4 Å²	61.4	52%	0.521	31%	0.313	S	S	.	.	S	Bend	trans	-74.3	-31.9	-175.9	0	0	0	0	0	113.4	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.34Å; Y147-A160 WeakPolarHBondContact O-CB 3.2Å; Y147-A160 PolarHBondContact O-N 2.83Å
161	D	98.3	Very high	98.3	Very high	54 Å²	54	63.4 Å²	63.4	29%	0.289	32%	0.319	S	S	.	.	S	Bend	trans	-150.7	-175.3	-177.9	66.2	28.4	0	0	0	113	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.42Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.1Å; Y109-D161 PolarHBondContact OH-OD2 3.32Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.06Å; D161-A163 WeakPolarHBondContact OD1-CA 3.44Å; D161-A163 WeakPolarHBondContact OD1-CB 3.39Å; D161-A163 PolarHBondContact OD1-N 2.87Å; D161-A164 PolarHBondContact O-N 3.44Å; D161-A164 PolarHBondContact OD1-N 2.88Å; D161-Q165 WeakPolarHBondContact O-CG 3.2Å; D161-Q165 PolarHBondContact O-N 3.33Å
162	T	98.3	Very high	98.3	Very high	111 Å²	111	65.9 Å²	65.9	68%	0.681	33%	0.33	S	S	*	.	H	α-helix	trans	-66	-28.7	-179	52.2	0	0	0	0	113.5
163	A	98.2	Very high	98.4	Very high	4 Å²	4	63.6 Å²	63.6	3%	0.033	33%	0.334	C	S	.	.	H	α-helix	trans	-73.6	-38	174.8	0	0	0	0	0	110.9	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.12Å; Y109-A163 HydrophobicContact CD2-CB 4.4Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.48Å; Y147-A163 PolarHBondContact OH-O 2.69Å; Y147-A163 VanDerWaalsContact OH-O 3.07Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.06Å; D161-A163 WeakPolarHBondContact OD1-CA 3.44Å; D161-A163 WeakPolarHBondContact OD1-CB 3.39Å; D161-A163 PolarHBondContact OD1-N 2.87Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; A163-I166 WeakPolarHBondContact O-CB 3.34Å; A163-I166 PolarHBondContact O-N 2.83Å
164	A	98.5	Very high	98.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-35.3	172.1	0	0	0	0	0	112.8	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.84Å; Y147-A164 VanDerWaalsContact CE2-CA 3.46Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.35Å; Y147-A164 WeakPolarHBondContact O-CB 3.22Å; A159-A164 HydrophobicContact CB-CB 3.7Å; D161-A164 PolarHBondContact O-N 3.44Å; D161-A164 PolarHBondContact OD1-N 2.88Å; A164-I166 PolarHBondContact O-N 3.43Å; A164-T167 PolarHBondContact O-N 2.76Å; A164-Q168 PolarHBondContact O-N 3.29Å
165	Q	98.7	Very high	98.4	Very high	75 Å²	75	69.9 Å²	69.9	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-28.8	174.4	-72.4	173.6	7.8	0	0	113	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.01Å; D161-Q165 WeakPolarHBondContact O-CG 3.2Å; D161-Q165 PolarHBondContact O-N 3.33Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.27Å; Q165-R169 PolarHBondContact O-N 3.33Å; Q165-R169 VanDerWaalsContact O-N 3.09Å
166	I	98.4	Very high	98.4	Very high	60 Å²	60	63.3 Å²	63.3	31%	0.308	34%	0.343	S	S	.	.	H	α-helix	trans	-64.3	-45.6	173.8	-59.9	170.4	0	0	0	109.9	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.12Å; Y108-I166 HydrophobicContact CE1-CD1 4.48Å; Y108-I166 HydrophobicContact CE1-CG2 4Å; Y108-I166 HydrophobicContact CE2-CB 4.4Å; Y108-I166 HydrophobicContact CE2-CG2 4.17Å; Y108-I166 HydrophobicContact CG-CD1 4.22Å; A163-I166 WeakPolarHBondContact O-CB 3.34Å; A163-I166 PolarHBondContact O-N 2.83Å; A164-I166 PolarHBondContact O-N 3.43Å; I166-K170 WeakPolarHBondContact O-CG 3.07Å; I166-K170 PolarHBondContact O-N 3.43Å
167	T	98.4	Very high	98.5	Very high	15 Å²	15	61.8 Å²	61.8	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-66.9	-43.1	177	-66.2	0	0	0	0	111.4	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 WeakPolarHBondContact OH-CB 3.33Å; Y147-T167 PolarHBondContact OH-OG1 3.42Å; I148-T167 HydrophobicContact CD1-CG2 4.24Å; A164-T167 PolarHBondContact O-N 2.76Å; T167-R169 PolarHBondContact O-N 3.48Å; T167-K170 WeakPolarHBondContact O-CB 3.04Å; T167-K170 PolarHBondContact O-N 3.21Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.77Å; T167-W171 HydrophobicContact CG2-CE3 4.25Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.89Å; T167-W171 WeakPolarHBondContact O-CB 3.4Å; T167-W171 PolarHBondContact O-N 3.42Å
168	Q	98.6	Very high	98.4	Very high	40 Å²	40	66.5 Å²	66.5	19%	0.187	36%	0.355	C	S	.	.	H	α-helix	trans	-51.8	-53.2	175.1	177.4	174.7	12.8	0	0	111.6	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.91Å; W157-Q168 HydrophobicContact CB-CG 4.08Å; W157-Q168 PolarHBondContact O-NE2 3.07Å; A159-Q168 HydrophobicContact CB-CB 4.43Å; A164-Q168 PolarHBondContact O-N 3.29Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 2.87Å; Q168-W171 PolarHBondContact O-N 2.93Å; Q168-W171 VanDerWaalsContact O-N 3.12Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.46Å; Q168-E172 PolarHBondContact NE2-OE1 2.75Å; Q168-E172 WeakPolarHBondContact O-CB 3.3Å; Q168-E172 WeakPolarHBondContact O-CG 3.36Å; Q168-E172 PolarHBondContact O-N 2.92Å
169	R	98.6	Very high	98.4	Very high	155 Å²	155	69.3 Å²	69.3	59%	0.585	36%	0.362	S	S	*	.	H	α-helix	trans	-59.6	-39.6	179.7	-68.7	170.4	-166.4	152.3	8.2	112.5	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.27Å; Q165-R169 PolarHBondContact O-N 3.33Å; Q165-R169 VanDerWaalsContact O-N 3.09Å; T167-R169 PolarHBondContact O-N 3.48Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.42Å; R169-A173 PolarHBondContact O-N 2.86Å
170	K	98.3	Very high	98.3	Very high	114 Å²	114	69.8 Å²	69.8	50%	0.496	36%	0.361	S	S	.	.	H	α-helix	trans	-64.5	-43.6	176.2	-72.3	178.4	176.7	-173	0	111.4	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 2.05Å; I166-K170 WeakPolarHBondContact O-CG 3.07Å; I166-K170 PolarHBondContact O-N 3.43Å; T167-K170 WeakPolarHBondContact O-CB 3.04Å; T167-K170 PolarHBondContact O-N 3.21Å; T167-K170 VanDerWaalsContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.3Å; Q168-K170 PolarHBondContact O-N 2.87Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 2.77Å
171	W	98.4	Very high	98.3	Very high	55 Å²	55	70.1 Å²	70.1	21%	0.208	35%	0.349	C	S	.	.	H	α-helix	trans	-72.8	-35.7	-178.2	-75.8	8	0	0	0	113.1	Y140 I148 W157 T167 Q168 A174 R175 V176	Y140-W171 AromaticContact CD2-CH2 3.79Å; Y140-W171 HydrophobicContact CD2-CH2 3.79Å; Y140-W171 HydrophobicContact CD2-CZ3 4.24Å; Y140-W171 AromaticContact CE2-CH2 3.43Å; Y140-W171 HydrophobicContact CE2-CH2 3.43Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.43Å; Y140-W171 HydrophobicContact CE2-CZ2 4.5Å; Y140-W171 AromaticContact CE2-CZ3 4Å; Y140-W171 HydrophobicContact CE2-CZ3 4Å; Y140-W171 AromaticContact CZ-CH2 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4.16Å; I148-W171 HydrophobicContact CD1-CZ3 4.37Å; I148-W171 HydrophobicContact CG2-CH2 4.09Å; I148-W171 HydrophobicContact CG2-CZ3 3.76Å; W157-W171 HydrophobicContact CD2-CE3 4.02Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CH2-CD2 4.4Å; W157-W171 AromaticContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CH2 4.49Å; W157-W171 AromaticContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CH2-CZ3 3.32Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CZ3 4.03Å; W157-W171 AromaticContact CZ3-CE3 3.5Å; W157-W171 HydrophobicContact CZ3-CE3 3.5Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.5Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.77Å; T167-W171 HydrophobicContact CG2-CE3 4.25Å; T167-W171 HydrophobicContact CG2-CG 4.15Å; T167-W171 HydrophobicContact CG2-CH2 4.35Å; T167-W171 HydrophobicContact CG2-CZ2 3.89Å; T167-W171 WeakPolarHBondContact O-CB 3.4Å; T167-W171 PolarHBondContact O-N 3.42Å; Q168-W171 PolarHBondContact O-N 2.93Å; Q168-W171 VanDerWaalsContact O-N 3.12Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 3Å; W171-R175 PolarHBondContact O-N 3.31Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.91Å; W171-V176 HydrophobicContact CD2-CB 4.5Å; W171-V176 HydrophobicContact CD2-CG1 4.3Å; W171-V176 HydrophobicContact CG-CB 4.11Å; W171-V176 HydrophobicContact CG-CG1 4.39Å; W171-V176 HydrophobicContact CG-CG2 3.85Å; W171-V176 PolarHBondContact O-N 3.24Å
172	E	98.6	Very high	98.3	Very high	96 Å²	96	70.6 Å²	70.6	45%	0.449	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-47.7	171.5	-73.2	170.3	174.3	0	0	110.9	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.46Å; Q168-E172 PolarHBondContact NE2-OE1 2.75Å; Q168-E172 WeakPolarHBondContact O-CB 3.3Å; Q168-E172 WeakPolarHBondContact O-CG 3.36Å; Q168-E172 PolarHBondContact O-N 2.92Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.33Å; E172-R175 PolarHBondContact O-N 3.06Å
173	A	98.4	Very high	98.3	Very high	88 Å²	88	67.8 Å²	67.8	73%	0.727	34%	0.338	S	S	*	.	H	α-helix	trans	-60.8	-36.6	176.7	0	0	0	0	0	112.6	R169	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.42Å; R169-A173 PolarHBondContact O-N 2.86Å
174	A	98.2	Very high	98.4	Very high	60 Å²	60	67.7 Å²	67.7	50%	0.496	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	1.8	177.2	0	0	0	0	0	114.1	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 2.77Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 3Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.33Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 2.81Å
175	R	98	Very high	98.3	Very high	156 Å²	156	71.9 Å²	71.9	59%	0.589	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	38.3	-178.8	-59.9	176.7	172.3	-135.2	8	114.2	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.31Å; E172-R175 PolarHBondContact O-N 3.06Å; R175-A177 PolarHBondContact O-N 3.05Å; R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 WeakPolarHBondContact CD-OE1 3.15Å; R175-E178 IonicContact CZ-OE1 3.72Å; R175-E178 IonicContact NE-OE1 3.93Å; R175-E178 IonicContact NH1-OE1 2.96Å; R175-E178 PolarHBondContact NH1-OE1 2.91Å; R175-E178 IonicContact NH1-OE2 3.58Å; R175-E178 WeakPolarHBondContact O-CB 3.43Å; R175-E178 PolarHBondContact O-N 3.03Å
176	V	98.4	Very high	98.3	Very high	29 Å²	29	69.3 Å²	69.3	18%	0.176	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-34.4	-177.6	176.5	0	0	0	0	111.9	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CH2-CG1 4.47Å; W157-V176 HydrophobicContact CZ2-CB 4.3Å; W157-V176 HydrophobicContact CZ2-CG1 4.08Å; W171-V176 HydrophobicContact CB-CB 3.97Å; W171-V176 HydrophobicContact CB-CG2 3.91Å; W171-V176 HydrophobicContact CD2-CB 4.5Å; W171-V176 HydrophobicContact CD2-CG1 4.3Å; W171-V176 HydrophobicContact CG-CB 4.11Å; W171-V176 HydrophobicContact CG-CG1 4.39Å; W171-V176 HydrophobicContact CG-CG2 3.85Å; W171-V176 PolarHBondContact O-N 3.24Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 2.81Å; V176-E178 VanDerWaalsContact C-N 3.29Å; V176-E178 PolarHBondContact O-N 2.81Å; V176-Q179 PolarHBondContact O-N 3.47Å; V176-L180 HydrophobicContact CG1-CD1 3.84Å; V176-L180 HydrophobicContact CG1-CG 4.21Å; V176-L180 WeakPolarHBondContact O-CG 3.39Å; V176-L180 PolarHBondContact O-N 3.16Å
177	A	98.4	Very high	98.3	Very high	8 Å²	8	71.2 Å²	71.2	7%	0.066	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-36.3	177.4	0	0	0	0	0	112.8	L150 R155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.99Å; R155-A177 WeakPolarHBondContact O-CB 3.4Å; W157-A177 HydrophobicContact CZ2-CB 4.24Å; R175-A177 PolarHBondContact O-N 3.05Å; A177-Q179 PolarHBondContact O-N 2.84Å; A177-L180 PolarHBondContact O-N 3.12Å; A177-R181 WeakPolarHBondContact O-CB 3.31Å; A177-R181 PolarHBondContact O-N 3.31Å
178	E	98.1	Very high	98.3	Very high	110 Å²	110	70.5 Å²	70.5	51%	0.514	35%	0.354	S	S	.	.	H	α-helix	trans	-64.6	-41.2	178.6	-64.1	178.3	-164.9	0	0	111.3	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 WeakPolarHBondContact CD-OE1 3.15Å; R175-E178 IonicContact CZ-OE1 3.72Å; R175-E178 IonicContact NE-OE1 3.93Å; R175-E178 IonicContact NH1-OE1 2.96Å; R175-E178 PolarHBondContact NH1-OE1 2.91Å; R175-E178 IonicContact NH1-OE2 3.58Å; R175-E178 WeakPolarHBondContact O-CB 3.43Å; R175-E178 PolarHBondContact O-N 3.03Å; V176-E178 VanDerWaalsContact C-N 3.29Å; V176-E178 PolarHBondContact O-N 2.81Å; E178-A182 PolarHBondContact O-N 2.88Å
179	Q	97.5	Very high	98.3	Very high	140 Å²	140	68.9 Å²	68.9	65%	0.654	35%	0.346	S	S	*	.	H	α-helix	trans	-67	-45.3	177.5	-63.3	178.9	-1.4	0	0	111.7	V176 A177 R181 A182 Y183	V176-Q179 PolarHBondContact O-N 3.47Å; A177-Q179 PolarHBondContact O-N 2.84Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; Q179-A182 PolarHBondContact O-N 3.34Å; Q179-Y183 PolarHBondContact O-N 2.83Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å
180	L	98.1	Very high	98.3	Very high	32 Å²	32	67.6 Å²	67.6	17%	0.168	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-41.5	178	-70.6	171.9	0	0	0	111.8	N138 L150 W157 V176 A177 A182 Y183 L184	N138-L180 HydrophobicContact CB-CD1 4.37Å; N138-L180 WeakPolarHBondContact ND2-CD1 3.27Å; N138-L180 WeakPolarHBondContact ND2-CD2 3.05Å; L150-L180 HydrophobicContact CD2-CB 4.27Å; L150-L180 HydrophobicContact CD2-CD1 4.43Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.83Å; V176-L180 HydrophobicContact CG1-CD1 3.84Å; V176-L180 HydrophobicContact CG1-CG 4.21Å; V176-L180 WeakPolarHBondContact O-CG 3.39Å; V176-L180 PolarHBondContact O-N 3.16Å; A177-L180 PolarHBondContact O-N 3.12Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 3.02Å; L180-Y183 PolarHBondContact O-N 3.27Å; L180-L184 WeakPolarHBondContact O-CB 3.31Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.86Å
181	R	98.3	Very high	98.3	Very high	70 Å²	70	64.4 Å²	64.4	26%	0.264	33%	0.332	S	S	.	.	H	α-helix	trans	-60.9	-44.6	176	-175.9	172.4	-179.5	-131.5	-15.9	111.6	L154 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.08Å; L154-R181 HydrophobicContact CB-CG 3.84Å; L154-R181 HydrophobicContact CD1-CG 4.19Å; A177-R181 WeakPolarHBondContact O-CB 3.31Å; A177-R181 PolarHBondContact O-N 3.31Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.32Å; R181-L184 PolarHBondContact O-N 2.89Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 IonicContact CZ-OE1 3.76Å; R181-E185 VanDerWaalsContact CZ-OE1 3.25Å; R181-E185 IonicContact CZ-OE2 2.7Å; R181-E185 IonicContact NE-OE1 3.33Å; R181-E185 PolarHBondContact NE-OE1 3.09Å; R181-E185 IonicContact NE-OE2 3.63Å; R181-E185 PolarHBondContact NE-OE2 3.38Å; R181-E185 IonicContact NH2-OE1 3.69Å; R181-E185 PolarHBondContact NH2-OE1 3.41Å; R181-E185 IonicContact NH2-OE2 2.66Å; R181-E185 PolarHBondContact NH2-OE2 2.94Å; R181-E185 WeakPolarHBondContact O-CB 3.37Å; R181-E185 WeakPolarHBondContact O-CG 3.43Å; R181-E185 PolarHBondContact O-N 2.62Å
182	A	98.4	Very high	98.3	Very high	65 Å²	65	61.8 Å²	61.8	54%	0.537	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-42.5	176.5	0	0	0	0	0	112.2	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 2.88Å; Q179-A182 PolarHBondContact O-N 3.34Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 3.02Å; A182-G186 PolarHBondContact O-N 2.87Å; A182-G186 VanDerWaalsContact O-N 3.08Å
183	Y	98.3	Very high	98.3	Very high	52 Å²	52	62.8 Å²	62.8	20%	0.204	32%	0.322	C	S	.	.	H	α-helix	trans	-65.1	-47.6	174.5	170	-97.2	0	0	0	112.5	Y123 Q179 L180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.93Å; Y123-Y183 HydrophobicContact CD2-CE1 3.93Å; Y123-Y183 AromaticContact CE2-CE1 3.96Å; Y123-Y183 HydrophobicContact CE2-CE1 3.96Å; Q179-Y183 PolarHBondContact O-N 2.83Å; Q179-Y183 VanDerWaalsContact O-N 3.09Å; L180-Y183 PolarHBondContact O-N 3.27Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.32Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 2.86Å; Y183-E187 HydrophobicContact CD2-CB 3.83Å; Y183-E187 HydrophobicContact CE2-CB 4.06Å; Y183-E187 PolarHBondContact O-N 2.88Å; Y183-C188 HydrophobicContact CD1-CB 4.31Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.46Å; Y183-C188 PolarHBondContact O-N 3.13Å
184	L	98.6	Very high	98.2	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-69.6	-37.9	-175	-70.9	171	0	0	0	112.7	G124 L150 L154 L180 R181 V189	G124-L184 VanDerWaalsContact O-CD2 3.22Å; G124-L184 WeakPolarHBondContact O-CD2 3.47Å; L150-L184 HydrophobicContact CD2-CD1 3.99Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L180-L184 WeakPolarHBondContact O-CB 3.31Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.86Å; R181-L184 PolarHBondContact O-N 2.89Å; L184-V189 WeakPolarHBondContact O-CG2 3.32Å
185	E	98.1	Very high	98.2	Very high	89 Å²	89	61.5 Å²	61.5	42%	0.416	29%	0.285	S	S	.	.	H	α-helix	trans	-79.9	-23.8	176.8	-68.8	-179	169.2	0	0	112.9	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L154-E185 HydrophobicContact CD1-CG 4.21Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 IonicContact CZ-OE1 3.76Å; R181-E185 VanDerWaalsContact CZ-OE1 3.25Å; R181-E185 IonicContact CZ-OE2 2.7Å; R181-E185 IonicContact NE-OE1 3.33Å; R181-E185 PolarHBondContact NE-OE1 3.09Å; R181-E185 IonicContact NE-OE2 3.63Å; R181-E185 PolarHBondContact NE-OE2 3.38Å; R181-E185 IonicContact NH2-OE1 3.69Å; R181-E185 PolarHBondContact NH2-OE1 3.41Å; R181-E185 IonicContact NH2-OE2 2.66Å; R181-E185 PolarHBondContact NH2-OE2 2.94Å; R181-E185 WeakPolarHBondContact O-CB 3.37Å; R181-E185 WeakPolarHBondContact O-CG 3.43Å; R181-E185 PolarHBondContact O-N 2.62Å
186	G	98.1	Very high	98.2	Very high	21 Å²	21	54.8 Å²	54.8	22%	0.216	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-96.9	-177.7	0	0	0	0	0	112.7	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.87Å; A182-G186 VanDerWaalsContact O-N 3.08Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 2.86Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.91Å; G186-C188 VanDerWaalsContact O-N 3.16Å; G186-V189 PolarHBondContact O-N 3.48Å; G186-E190 PolarHBondContact O-N 3.23Å
187	E	98.1	Very high	98.1	Very high	100 Å²	100	59.1 Å²	59.1	47%	0.467	28%	0.279	S	S	.	.	H	α-helix	trans	-52.1	-41.8	-170	-70.1	-174.7	-130.8	0	0	113.7	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.83Å; Y183-E187 HydrophobicContact CE2-CB 4.06Å; Y183-E187 PolarHBondContact O-N 2.88Å; E187-V189 VanDerWaalsContact C-N 3.34Å; E187-V189 PolarHBondContact O-N 3.24Å; E187-E190 PolarHBondContact O-N 3.26Å; E187-W191 WeakPolarHBondContact O-CB 3.4Å; E187-W191 PolarHBondContact O-N 2.68Å
188	C	98.6	Very high	98.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.8	-47.2	179.3	-172.8	0	0	0	0	111.5	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 VanDerWaalsContact CE-SG 3.54Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 3.33Å; C125-C188 WeakPolarHBondContact SG-CB 3.47Å; C125-C188 PolarHBondContact SG-O 3.48Å; C125-C188 VanDerWaalsContact SG-O 3.42Å; C125-C188 CovalentContact SG-SG 2.05Å; C125-C188 PolarHBondContact SG-SG 2.9Å; Y183-C188 HydrophobicContact CD1-CB 4.31Å; Y183-C188 HydrophobicContact CE1-CB 3.86Å; Y183-C188 WeakPolarHBondContact O-CB 3.46Å; Y183-C188 PolarHBondContact O-N 3.13Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.91Å; G186-C188 VanDerWaalsContact O-N 3.16Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.11Å; C188-L192 PolarHBondContact O-N 3.16Å
189	V	98.6	Very high	98	Very high	6 Å²	6	56 Å²	56	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-67.9	-41.5	179.9	172.9	0	0	0	0	110.8	C125 V127 G131 L133 L184 G186 E187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.4Å; V127-V189 HydrophobicContact CG1-CB 4.42Å; V127-V189 HydrophobicContact CG1-CG1 4Å; V127-V189 HydrophobicContact CG1-CG2 4Å; G131-V189 WeakPolarHBondContact O-CG1 3.37Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.84Å; L184-V189 WeakPolarHBondContact O-CG2 3.32Å; G186-V189 PolarHBondContact O-N 3.48Å; E187-V189 VanDerWaalsContact C-N 3.34Å; E187-V189 PolarHBondContact O-N 3.24Å; V189-L192 PolarHBondContact O-N 3.11Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.14Å; V189-R193 PolarHBondContact O-N 2.91Å
190	E	98.4	Very high	97.8	Very high	127 Å²	127	54.5 Å²	54.5	59%	0.593	26%	0.257	S	S	*	.	H	α-helix	trans	-62.8	-46.9	178.2	-69.8	179.7	174.2	0	0	112	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 3.23Å; E187-E190 PolarHBondContact O-N 3.26Å; E190-R193 PolarHBondContact O-N 2.85Å; E190-R194 PolarHBondContact O-N 2.93Å
191	W	98.4	Very high	97.6	Very high	48 Å²	48	60.9 Å²	60.9	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-43.8	176.4	-80.9	112	0	0	0	112	M29 Y83 E187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.05Å; M29-W191 HydrophobicContact SD-CB 4.45Å; Y83-W191 AromaticContact CD2-CH2 3.74Å; Y83-W191 HydrophobicContact CD2-CH2 3.74Å; Y83-W191 HydrophobicContact CD2-CZ2 4.32Å; Y83-W191 HydrophobicContact CD2-CZ3 4.06Å; Y83-W191 HydrophobicContact CE2-CH2 4.12Å; Y83-W191 HydrophobicContact CE2-CZ3 4.07Å; E187-W191 WeakPolarHBondContact O-CB 3.4Å; E187-W191 PolarHBondContact O-N 2.68Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 2.6Å; W191-R194 WeakPolarHBondContact O-CB 3.39Å; W191-R194 PolarHBondContact O-N 3.16Å; W191-Y195 HydrophobicContact CB-CE2 4Å; W191-Y195 HydrophobicContact CE3-CD1 4.43Å; W191-Y195 AromaticContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE1 3.49Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.45Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.45Å; W191-Y195 AromaticContact CZ3-CE1 3.93Å; W191-Y195 HydrophobicContact CZ3-CE1 3.93Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.49Å; W191-Y195 PolarHBondContact O-N 3.04Å
192	L	98.6	Very high	97.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-45.7	176.6	174.6	53.1	0	0	0	111.2	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.12Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact CE-CB 4.47Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.92Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.2Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.11Å; C188-L192 PolarHBondContact O-N 3.16Å; V189-L192 PolarHBondContact O-N 3.11Å; L192-R194 PolarHBondContact O-N 3.11Å; L192-Y195 PolarHBondContact O-N 2.83Å; L192-L196 HydrophobicContact CD1-CD1 3.88Å; L192-L196 HydrophobicContact CD1-CD2 4.4Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.4Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.11Å; L192-L196 PolarHBondContact O-N 3.07Å
193	R	97.8	Very high	97.1	Very high	117 Å²	117	56.7 Å²	56.7	44%	0.442	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-44	175.6	-72.2	174	-174.6	175.7	2.6	112.3	G131 V189 E190 W191 Y195 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.28Å; G131-R193 PolarHBondContact O-NE 2.84Å; G131-R193 PolarHBondContact O-NH2 3.23Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.14Å; V189-R193 PolarHBondContact O-N 2.91Å; E190-R193 PolarHBondContact O-N 2.85Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 2.6Å; R193-Y195 VanDerWaalsContact C-N 3.34Å; R193-Y195 PolarHBondContact O-N 3.2Å; R193-L196 PolarHBondContact O-N 2.82Å; R193-E197 PolarHBondContact O-N 2.82Å
194	R	97.8	Very high	96.8	Very high	120 Å²	120	58.7 Å²	58.7	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-60.3	-44.2	175.9	178.3	178.7	173.7	119.7	-5.4	111.3	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.54Å; E79-R194 IonicContact OE1-NE 3.06Å; E79-R194 PolarHBondContact OE1-NE 3.32Å; E79-R194 IonicContact OE1-NH2 3.71Å; E79-R194 PolarHBondContact OE1-NH2 2.63Å; E79-R194 IonicContact OE2-CZ 3.93Å; E79-R194 IonicContact OE2-NE 2.75Å; E79-R194 IonicContact OE2-NH2 3.7Å; E79-R194 PolarHBondContact OE2-NH2 3.18Å; E190-R194 PolarHBondContact O-N 2.93Å; W191-R194 WeakPolarHBondContact O-CB 3.39Å; W191-R194 PolarHBondContact O-N 3.16Å; L192-R194 PolarHBondContact O-N 3.11Å; R194-E197 PolarHBondContact O-N 2.82Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.38Å; R194-N198 PolarHBondContact O-N 3.09Å; R194-N198 PolarHBondContact O-OD1 3.08Å
195	Y	98.2	Very high	96.6	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-39.3	178.7	-61.4	-25.8	0	0	0	112.6	M29 V52 F57 W75 I76 Y83 W191 L192 R193 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 4.03Å; F57-Y195 HydrophobicContact CE2-CD2 4.24Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CD2 4.28Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å; W75-Y195 HydrophobicContact CE3-CD1 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.19Å; W75-Y195 AromaticContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD2 4.32Å; W75-Y195 AromaticContact CZ3-CG 3.65Å; W75-Y195 HydrophobicContact CZ3-CG 3.65Å; I76-Y195 HydrophobicContact CD1-CD1 3.8Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.24Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.36Å; Y83-Y195 PolarHBondContact OH-OH 3.41Å; W191-Y195 HydrophobicContact CB-CE2 4Å; W191-Y195 HydrophobicContact CE3-CD1 4.43Å; W191-Y195 AromaticContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE1 3.49Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.49Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.45Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.45Å; W191-Y195 AromaticContact CZ3-CE1 3.93Å; W191-Y195 HydrophobicContact CZ3-CE1 3.93Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.49Å; W191-Y195 PolarHBondContact O-N 3.04Å; L192-Y195 PolarHBondContact O-N 2.83Å; R193-Y195 VanDerWaalsContact C-N 3.34Å; R193-Y195 PolarHBondContact O-N 3.2Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.94Å; Y195-N198 PolarHBondContact O-N 3.49Å; Y195-G199 WeakPolarHBondContact O-CA 3.39Å; Y195-G199 PolarHBondContact O-N 3.44Å; Y195-L203 WeakPolarHBondContact O-CD1 3.24Å
196	L	97.3	Very high	96.4	Very high	14 Å²	14	61.5 Å²	61.5	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-35.8	174.6	-71.4	169.9	0	0	0	112.5	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.26Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.88Å; L192-L196 HydrophobicContact CD1-CD2 4.4Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 4Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.4Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.11Å; L192-L196 PolarHBondContact O-N 3.07Å; R193-L196 PolarHBondContact O-N 2.82Å; L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.27Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 3.4Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.04Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 HydrophobicContact CD2-CG 4.46Å; L196-Q204 PolarHBondContact O-NE2 3.17Å
197	E	96.9	Very high	96.4	Very high	120 Å²	120	62.2 Å²	62.2	56%	0.561	29%	0.285	S	S	*	.	H	α-helix	trans	-72.4	-49.5	174.6	-172.2	58.9	-152.4	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.82Å; R194-E197 PolarHBondContact O-N 2.82Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.94Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 3.06Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 3.28Å
198	N	97.1	Very high	96.3	Very high	51 Å²	51	60.5 Å²	60.5	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-57.3	-39	177.7	-78.7	1	0	0	0	112.9	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.22Å; Q78-N198 PolarHBondContact NE2-ND2 3.33Å; E79-N198 PolarHBondContact OE1-ND2 3.17Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.38Å; R194-N198 PolarHBondContact O-N 3.09Å; R194-N198 PolarHBondContact O-OD1 3.08Å; Y195-N198 PolarHBondContact O-N 3.49Å
199	G	96.3	Very high	96.3	Very high	3 Å²	3	61 Å²	61	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	15.1	-176.1	0	0	0	0	0	114.2	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.39Å; Y195-G199 PolarHBondContact O-N 3.44Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 3.06Å; G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 3.44Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.45Å; G199-T202 PolarHBondContact O-N 2.88Å; G199-T202 PolarHBondContact O-OG1 3.33Å; G199-L203 PolarHBondContact O-N 3.16Å
200	K	94.6	Very high	96.3	Very high	108 Å²	108	68.2 Å²	68.2	47%	0.47	32%	0.316	S	S	.	.	H	α-helix	trans	-49.6	-43.7	-168.9	-177	174.9	-172.5	171.8	0	115	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.27Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 3.4Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.45Å; E197-K200 PolarHBondContact O-N 3.28Å; K200-T202 PolarHBondContact O-N 3.01Å; K200-T202 VanDerWaalsContact O-N 3.16Å; K200-Q204 HydrophobicContact CG-CB 4.47Å; K200-Q204 HydrophobicContact CG-CG 4.5Å; K200-Q204 PolarHBondContact O-N 3.05Å
201	E	92.7	Very high	96.3	Very high	165 Å²	165	63.9 Å²	63.9	77%	0.771	30%	0.298	S	S	*	.	H	α-helix	trans	-62.6	-22.8	179.6	-61.7	-172.7	162.4	0	0	113.6	G199 R205	G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 3.44Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 PolarHBondContact O-NH1 3.42Å
202	T	92.8	Very high	96.3	Very high	44 Å²	44	65.4 Å²	65.4	27%	0.27	31%	0.308	S	S	.	.	H	α-helix	trans	-101.8	-69.8	177	56.2	0	0	0	0	110.3	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.45Å; G199-T202 PolarHBondContact O-N 2.88Å; G199-T202 PolarHBondContact O-OG1 3.33Å; K200-T202 PolarHBondContact O-N 3.01Å; K200-T202 VanDerWaalsContact O-N 3.16Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 3.43Å; T202-R205 WeakPolarHBondContact O-CB 3.33Å; T202-R205 PolarHBondContact O-N 3.43Å; T202-R263 VanDerWaalsContact CA-NH1 3.31Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 3.02Å; T202-R263 PolarHBondContact O-NH2 2.86Å
203	L	93.7	Very high	96.2	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-33.3	-167.2	-61.5	172.7	0	0	0	114.1	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; V52-L203 HydrophobicContact CG1-CG 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.06Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.35Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.43Å; Y195-L203 WeakPolarHBondContact O-CD1 3.24Å; L196-L203 HydrophobicContact CD2-CB 4.04Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 PolarHBondContact O-N 3.16Å; L203-R205 VanDerWaalsContact C-N 3.34Å
204	Q	92.4	Very high	96.2	Very high	93 Å²	93	62.4 Å²	62.4	44%	0.435	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	11.2	179.3	-59.3	-178.5	35.7	0	0	112.8	L196 K200 T202	L196-Q204 HydrophobicContact CD2-CG 4.46Å; L196-Q204 PolarHBondContact O-NE2 3.17Å; K200-Q204 HydrophobicContact CG-CB 4.47Å; K200-Q204 HydrophobicContact CG-CG 4.5Å; K200-Q204 PolarHBondContact O-N 3.05Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 3.43Å
205	R	93.4	Very high	96.1	Very high	118 Å²	118	59.1 Å²	59.1	45%	0.445	29%	0.292	S	S	.	.			trans	-105.4	117.8	177.3	-169.5	-177.3	78.8	-146.1	3.9	110	E201 T202 L203 D207 Y233	E201-R205 PolarHBondContact O-NH1 3.42Å; T202-R205 WeakPolarHBondContact O-CB 3.33Å; T202-R205 PolarHBondContact O-N 3.43Å; L203-R205 VanDerWaalsContact C-N 3.34Å; R205-D207 IonicContact CZ-OD1 2.8Å; R205-D207 IonicContact CZ-OD2 3.5Å; R205-D207 IonicContact NE-OD1 2.73Å; R205-D207 PolarHBondContact NE-OD1 3.41Å; R205-D207 IonicContact NE-OD2 3.56Å; R205-D207 IonicContact NH2-OD1 3.26Å; R205-D207 IonicContact NH2-OD2 3.47Å; R205-D207 PolarHBondContact NH2-OD2 3.47Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.31Å
206	A	95.3	Very high	96	Very high	31 Å²	31	63 Å²	63	26%	0.256	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-87.1	126.1	166.9	0	0	0	0	0	110.1	Y233 E288	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.4Å; A206-E288 HydrophobicContact CB-CG 4.38Å
207	D	96.6	Very high	95.8	Very high	37 Å²	37	67 Å²	67	20%	0.198	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-99.7	116.6	175.1	-67.4	-32.7	0	0	0	107.7	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 2.8Å; R205-D207 IonicContact CZ-OD2 3.5Å; R205-D207 IonicContact NE-OD1 2.73Å; R205-D207 PolarHBondContact NE-OD1 3.41Å; R205-D207 IonicContact NE-OD2 3.56Å; R205-D207 IonicContact NH2-OD1 3.26Å; R205-D207 IonicContact NH2-OD2 3.47Å; R205-D207 PolarHBondContact NH2-OD2 3.47Å; D207-F232 CarbonylContact O-C 3.54Å; D207-F232 WeakPolarHBondContact O-CA 3.4Å; D207-F232 WeakPolarHBondContact O-CB 3.19Å; D207-Y233 PolarHBondContact N-O 2.79Å; D207-Y233 PolarHBondContact O-N 3Å; D207-H287 PolarHBondContact O-CE1 3.47Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å
208	P	97.7	Very high	95.6	Very high	64 Å²	64	65.9 Å²	65.9	42%	0.416	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-70.6	150.5	-175.9	25.2	-32.8	0	0	0	112.7	L290	P208-L290 HydrophobicContact CB-CD2 3.91Å; P208-L290 HydrophobicContact CB-CG 4.46Å
209	P	98.3	Very high	95.4	Very high	9 Å²	9	66 Å²	66	6%	0.058	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-67.8	135.1	179.2	28.4	-35.5	0	0	0	112.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.34Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.15Å; P209-I237 HydrophobicContact CB-CD1 3.94Å; P209-I237 HydrophobicContact CG-CD1 4Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 4.08Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	98.4	Very high	95.1	Very high	158 Å²	158	73 Å²	73	69%	0.687	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	109	163.6	-62.9	174.9	-172.7	170.1	0	108.1	L230	K210-L230 PolarHBondContact N-O 3.05Å; K210-L230 PolarHBondContact O-N 2.88Å
211	T	98.2	Very high	95.1	Very high	36 Å²	36	74.7 Å²	74.7	22%	0.221	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.3	-171.7	53.8	0	0	0	0	112.8	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.34Å; T211-W228 WeakPolarHBondContact CA-O 3.41Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; T211-V285 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4Å; T211-L294 HydrophobicContact CG2-CD1 4.3Å; T211-L296 HydrophobicContact CG2-CD1 4.41Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.43Å
212	H	97.3	Very high	95.2	Very high	81 Å²	81	71.2 Å²	71.2	38%	0.375	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	159.1	171	64.1	-75.9	0	0	0	110.9	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 2.89Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.44Å
213	V	98.2	Very high	95.4	Very high	20 Å²	20	69.2 Å²	69.2	12%	0.121	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.6	176.8	-179.2	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; V213-R226 WeakPolarHBondContact CA-O 3.5Å; V213-C227 HydrophobicContact CG2-CB 4.4Å; V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.9	Very high	95.6	Very high	33 Å²	33	70 Å²	70	20%	0.202	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	147.1	175.7	54.5	0	0	0	0	110.1	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.38Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; T214-R226 PolarHBondContact N-O 3.07Å; T214-R226 PolarHBondContact O-N 3.35Å; T214-R226 WeakPolarHBondContact OG1-CB 3.23Å; T214-R226 PolarHBondContact OG1-O 3.06Å; T214-R226 VanDerWaalsContact OG1-O 3.1Å; T214-W228 PolarHBondContact OG1-NE1 2.95Å
215	H	96.3	Very high	95.8	Very high	52 Å²	52	65.6 Å²	65.6	24%	0.241	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126	-179.1	169.9	-91.8	0	0	0	109.6	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H215-T224 WeakPolarHBondContact CA-O 3.37Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.68Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 VanDerWaalsContact CB-CE2 3.49Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 3.98Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.77Å; H215-W298 AromaticContact ND1-CZ2 3.94Å
216	H	94.9	Very high	96.1	Very high	83 Å²	83	62.3 Å²	62.3	38%	0.384	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	106	-179.1	-57.9	84	0	0	0	109.3	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.38Å; T214-H216 VanDerWaalsContact OG1-CE1 3.3Å; H216-I218 PolarHBondContact O-N 3.49Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.3Å; H216-T224 PolarHBondContact N-O 3.25Å; H216-T224 PolarHBondContact O-N 2.94Å; H216-R226 PolarHBondContact CE1-NH1 2.84Å; H216-R226 VanDerWaalsContact CE1-NH1 3.33Å
217	P	94.2	Very high	96.2	Very high	97 Å²	97	60.9 Å²	60.9	63%	0.63	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	131.9	173.4	-21	31.3	0	0	0	111
218	I	92.6	Very high	96.3	Very high	96 Å²	96	61.4 Å²	61.4	49%	0.492	32%	0.315	S	S	.	.			trans	-100.1	-44	173.1	-60.7	162.7	0	0	0	109.5	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 3.49Å; I218-E222 PolarHBondContact N-O 3.25Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.39Å; I218-V272 HydrophobicContact CD1-CG1 4.05Å; I218-V272 HydrophobicContact CD1-CG2 4.05Å
219	S	92.9	Very high	96.4	Very high	53 Å²	53	58.4 Å²	58.4	37%	0.371	30%	0.295	S	S	.	.	S	Bend	trans	-147.3	-179.1	178.3	72.3	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 3.3Å; S219-H221 PolarHBondContact OG-N 3.29Å; S219-E222 PolarHBondContact N-O 2.92Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.11Å
220	D	90.3	Very high	96.4	Very high	150 Å²	150	60.5 Å²	60.5	80%	0.802	31%	0.306	S	S	*	.	S	Bend	trans	-62.5	-20	172.8	-65.6	-22.5	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.31Å
221	H	93.6	Very high	96.3	Very high	145 Å²	145	54.1 Å²	54.1	67%	0.671	29%	0.285	S	S	*	.	S	Bend	trans	-106.3	-16	-173.9	-55.2	-49.2	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.3Å; S219-H221 PolarHBondContact OG-N 3.29Å; H221-P274 CarbonylContact O-C 3.41Å; H221-P274 WeakPolarHBondContact O-CA 3.1Å; H221-S275 PolarHBondContact O-N 2.99Å; H221-S275 PolarHBondContact O-OG 3.32Å
222	E	95.4	Very high	96.3	Very high	92 Å²	92	52.4 Å²	52.4	43%	0.43	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146	-171.5	-66.1	-179	164.9	0	0	112.7	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.25Å; S219-E222 PolarHBondContact N-O 2.92Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.11Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.31Å; E222-S275 PolarHBondContact N-OG 2.85Å
223	A	96.3	Very high	96.3	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.1	172	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.3Å; A223-V272 WeakPolarHBondContact O-CA 3.4Å; A223-V273 PolarHBondContact N-O 2.9Å; A223-V273 PolarHBondContact O-N 3.46Å
224	T	97.7	Very high	96.2	Very high	21 Å²	21	48.7 Å²	48.7	13%	0.129	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.4	169	-52.6	0	0	0	0	110	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.37Å; H216-T224 PolarHBondContact N-O 3.25Å; H216-T224 PolarHBondContact O-N 2.94Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.39Å; T224-A270 HydrophobicContact CG2-CB 3.88Å; T224-V271 WeakPolarHBondContact CA-O 3.47Å
225	L	98.2	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.6	162.5	-64	-175.2	0	0	0	109.1	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.24Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.29Å; L225-V271 PolarHBondContact O-N 3.29Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.79Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.95Å
226	R	98.4	Very high	96.2	Very high	50 Å²	50	49.9 Å²	49.9	19%	0.189	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.9	176.4	-179.6	-177.8	-60.8	110	3.7	110.6	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.5Å; T214-R226 PolarHBondContact N-O 3.07Å; T214-R226 PolarHBondContact O-N 3.35Å; T214-R226 WeakPolarHBondContact OG1-CB 3.23Å; T214-R226 PolarHBondContact OG1-O 3.06Å; T214-R226 VanDerWaalsContact OG1-O 3.1Å; H216-R226 PolarHBondContact CE1-NH1 2.84Å; H216-R226 VanDerWaalsContact CE1-NH1 3.33Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.14Å; R226-W268 HydrophobicContact CG-CE3 3.92Å; R226-W268 HydrophobicContact CG-CG 4.23Å; R226-A269 WeakPolarHBondContact CA-O 3.26Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.4	Very high	96.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.1	175.7	-173.3	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.4Å; C227-W241 HydrophobicContact CB-CH2 4.46Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.41Å; C227-W268 WeakPolarHBondContact O-CB 3.47Å; C227-A269 PolarHBondContact N-O 3.26Å; C227-A269 PolarHBondContact O-N 3.31Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.4Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.23Å
228	W	98.5	Very high	96.5	Very high	49 Å²	49	44.5 Å²	44.5	19%	0.186	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.1	-180	-69.9	89.5	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.41Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 2.89Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.44Å; T214-W228 PolarHBondContact OG1-NE1 2.95Å; R226-W228 VanDerWaalsContact CD-CE2 3.42Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å
229	A	98.6	Very high	96.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.7	162.4	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.33Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.38Å; A229-I237 HydrophobicContact CB-CD1 3.6Å; A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.41Å; A229-K267 PolarHBondContact N-O 3.41Å; A229-K267 PolarHBondContact O-N 3.06Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.4	Very high	97	Very high	54 Å²	54	39.6 Å²	39.6	28%	0.283	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.9	-174.7	-58.7	177.5	0	0	0	111.1	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.05Å; K210-L230 PolarHBondContact O-N 2.88Å; W228-L230 HydrophobicContact CE3-CD2 3.86Å; W228-L230 HydrophobicContact CZ3-CD2 4.41Å; L230-F232 PolarHBondContact O-N 3.23Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å
231	G	97.9	Very high	97.3	Very high	24 Å²	24	32.5 Å²	32.5	25%	0.247	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.7	29.3	167.5	0	0	0	0	0	114.2	F265	G231-F265 PolarHBondContact N-O 2.99Å
232	F	98.1	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	155.3	-179.2	59.9	-89.7	0	0	0	113	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.54Å; D207-F232 WeakPolarHBondContact O-CA 3.4Å; D207-F232 WeakPolarHBondContact O-CB 3.19Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.15Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.84Å; A229-F232 WeakPolarHBondContact O-CE1 3.38Å; L230-F232 PolarHBondContact O-N 3.23Å; F232-P234 WeakPolarHBondContact CD2-O 3.3Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 4.03Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.37Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.98Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.06Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.5Å; F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.22Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.31Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.87Å; F232-F265 PolarHBondContact O-N 2.8Å; F232-K267 HydrophobicContact CE1-CB 4.39Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.81Å; F232-H287 AromaticContact CD2-NE2 3.67Å
233	Y	96.9	Very high	97.6	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.016	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-150	136.9	171.8	177.6	-84.1	0	0	0	109	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.93Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.18Å; T55-Y233 PolarHBondContact OG1-OH 2.85Å; R205-Y233 VanDerWaalsContact O-CD1 3.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.31Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 VanDerWaalsContact CA-O 3.24Å; A206-Y233 WeakPolarHBondContact CA-O 3.4Å; D207-Y233 PolarHBondContact N-O 2.79Å; D207-Y233 PolarHBondContact O-N 3Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.28Å; Y233-R263 HydrophobicContact CD2-CG 3.91Å; Y233-R263 HydrophobicContact CE2-CG 4.12Å; Y233-F265 HydrophobicContact CD2-CE2 4.1Å; Y233-H287 PolarHBondContact O-CE1 2.87Å
234	P	96.3	Very high	97.6	Very high	18 Å²	18	31.4 Å²	31.4	12%	0.117	16%	0.163	C	C	.	.	S	Bend	cis	-72.2	179.6	2.8	30.6	-36.7	0	0	0	113.3	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.15Å; F232-P234 WeakPolarHBondContact CD2-O 3.3Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.2Å; P234-H287 PolarHBondContact O-NE2 2.93Å
235	A	97.1	Very high	97.3	Very high	15 Å²	15	32.8 Å²	32.8	12%	0.124	18%	0.181	C	C	.	.	S	Bend	trans	-69.8	-26.1	-175.3	0	0	0	0	0	113.6	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 VanDerWaalsContact CG-CB 3.5Å; D54-A235 WeakPolarHBondContact OD2-CB 3.05Å; D54-A235 PolarHBondContact OD2-N 3.14Å; A235-I237 PolarHBondContact O-N 3.15Å; A235-T257 HydrophobicContact CB-CG2 4.43Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; A235-F265 HydrophobicContact CB-CD1 3.75Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.78Å; A235-F265 HydrophobicContact CB-CZ 3.62Å
236	E	96.2	Very high	97.2	Very high	95 Å²	95	39.6 Å²	39.6	44%	0.444	21%	0.213	S	C	.	.			trans	-63	124.6	176.5	-169.5	82.3	-174.4	0	0	110.1	W23 P234 H287	W23-E236 HydrophobicContact CE3-CB 4.01Å; W23-E236 HydrophobicContact CE3-CG 3.87Å; W23-E236 HydrophobicContact CH2-CB 3.94Å; W23-E236 HydrophobicContact CH2-CG 3.15Å; W23-E236 WeakPolarHBondContact CH2-OE1 3.33Å; W23-E236 HydrophobicContact CZ2-CG 3.97Å; W23-E236 HydrophobicContact CZ3-CB 3.35Å; W23-E236 HydrophobicContact CZ3-CG 3.1Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 3.2Å; E236-H287 PolarHBondContact O-CD2 2.86Å
237	I	97.1	Very high	97	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.056	23%	0.229	C	C	.	.			trans	-151.9	144.9	172.7	-163.9	170.3	0	0	0	109.3	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.94Å; P209-I237 HydrophobicContact CG-CD1 4Å; A229-I237 HydrophobicContact CB-CD1 3.6Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.25Å; F232-I237 HydrophobicContact CD2-CD1 4.03Å; F232-I237 HydrophobicContact CE1-CD1 3.81Å; F232-I237 HydrophobicContact CE1-CG2 4.37Å; F232-I237 HydrophobicContact CE2-CB 3.72Å; F232-I237 HydrophobicContact CE2-CD1 3.98Å; F232-I237 HydrophobicContact CE2-CG1 4.44Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.06Å; F232-I237 HydrophobicContact CZ-CD1 3.89Å; F232-I237 HydrophobicContact CZ-CG2 3.5Å; A235-I237 PolarHBondContact O-N 3.15Å; I237-L239 HydrophobicContact CB-CD1 4.36Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 3.96Å; I237-K267 HydrophobicContact CG2-CB 4.14Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; I237-V285 HydrophobicContact CD1-CG1 3.93Å; I237-V285 HydrophobicContact CG1-CG1 4.24Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.46Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.1Å
238	T	97.5	Very high	96.9	Very high	57 Å²	57	43 Å²	43	35%	0.35	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.6	171.9	-62	0	0	0	0	110.1	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.06Å; T238-V285 WeakPolarHBondContact O-CA 3.4Å; T238-Q286 PolarHBondContact N-O 3.22Å; T238-Q286 PolarHBondContact O-N 3.15Å
239	L	97.8	Very high	96.4	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.7	173.1	-86.9	63.5	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.04Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; I237-L239 HydrophobicContact CB-CD1 4.36Å; I237-L239 HydrophobicContact CD1-CD1 3.64Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 3.96Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; L239-H284 WeakPolarHBondContact CA-O 3.31Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	97.6	Very high	96	Very high	39 Å²	39	54.9 Å²	54.9	24%	0.239	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.7	175.6	59.2	0	0	0	0	111.6	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.06Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.32Å; T240-H284 PolarHBondContact N-O 3.05Å; T240-H284 PolarHBondContact O-N 3.28Å
241	W	98.2	Very high	95.5	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.4	168.5	-82.4	105.8	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.86Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.06Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CH2 4.46Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.23Å; W241-Q248 PolarHBondContact O-N 2.88Å; W241-A269 PolarHBondContact NE1-O 3.37Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; W241-T282 WeakPolarHBondContact CA-O 3.3Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.96Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	97.9	Very high	95.4	Very high	41 Å²	41	57.5 Å²	57.5	19%	0.192	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.4	171.2	-69.5	-174.1	-6.8	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.37Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 2.98Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.26Å; Q242-T282 PolarHBondContact N-O 3.44Å; Q242-T282 PolarHBondContact O-N 3.34Å; Q242-H284 PolarHBondContact OE1-NE2 2.96Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.16Å
243	R	97.4	Very high	95.3	Very high	72 Å²	72	63 Å²	63	27%	0.272	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118	168.5	-176.5	-172.2	-176.3	178.7	-0.9	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.01Å; R243-E246 PolarHBondContact N-O 3.03Å; R243-E246 PolarHBondContact O-N 2.61Å; R243-Q248 HydrophobicContact CB-CG 4Å; R243-E277 IonicContact CZ-OE2 3.56Å; R243-E277 IonicContact NE-OE2 3.56Å; R243-E277 IonicContact NH2-OE1 3.42Å; R243-E277 IonicContact NH2-OE2 3.62Å; R243-E277 PolarHBondContact NH2-OE2 3.21Å; R243-R280 WeakPolarHBondContact CA-O 3.19Å; R243-R280 HydrophobicContact CG-CB 4.39Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.34Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å
244	D	95.3	Very high	95.3	Very high	101 Å²	101	67 Å²	67	54%	0.54	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	28.4	-175.4	-53.8	-50.2	0	0	0	114.3	R280	D244-R280 PolarHBondContact N-O 3.46Å; D244-R280 IonicContact OD1-NE 3.02Å; D244-R280 PolarHBondContact OD1-NE 3.46Å; D244-R280 IonicContact OD2-CZ 3.75Å; D244-R280 IonicContact OD2-NE 3.76Å; D244-R280 PolarHBondContact OD2-NE 3Å; D244-R280 IonicContact OD2-NH2 3.79Å; D244-R280 PolarHBondContact OD2-NH2 2.88Å
245	G	91.6	Very high	95.3	Very high	50 Å²	50	67.8 Å²	67.8	52%	0.515	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-0.4	-177.7	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.01Å
246	E	95.6	Very high	95.3	Very high	144 Å²	144	74.7 Å²	74.7	67%	0.673	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.5	176	-62.8	-173.1	169.8	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.37Å; R243-E246 PolarHBondContact N-O 3.03Å; R243-E246 PolarHBondContact O-N 2.61Å; E246-Q248 PolarHBondContact O-NE2 2.82Å
247	D	95.1	Very high	95.4	Very high	95 Å²	95	72.1 Å²	72.1	51%	0.508	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	134.5	-179.4	-69.5	-29.1	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.43Å; Q242-D247 PolarHBondContact NE2-OD1 2.98Å
248	Q	95.1	Very high	95.4	Very high	26 Å²	26	76.4 Å²	76.4	12%	0.121	40%	0.396	C	S	.	.			trans	-105.2	35.9	-177.2	-57.6	-61.2	-71.6	0	0	112.2	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.23Å; W241-Q248 PolarHBondContact O-N 2.88Å; R243-Q248 HydrophobicContact CB-CG 4Å; E246-Q248 PolarHBondContact O-NE2 2.82Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.47Å; Q248-D251 PolarHBondContact O-N 2.91Å; Q248-T252 WeakPolarHBondContact O-CB 3.46Å; Q248-T252 PolarHBondContact O-N 2.96Å; Q248-T252 PolarHBondContact O-OG1 3.43Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å
249	T	89.7	Confident	95.4	Very high	105 Å²	105	78.2 Å²	78.2	64%	0.644	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.5	-169.2	-48.1	0	0	0	0	113.9
250	Q	89.9	Confident	95.3	Very high	193 Å²	193	80.3 Å²	80.3	90%	0.902	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-31.9	-178.8	-66.9	-174.3	3.9	0	0	113	Q248	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.47Å
251	D	87.8	Confident	95.1	Very high	110 Å²	110	82.1 Å²	82.1	59%	0.588	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	0.7	-177.7	-56.3	-53.6	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 2.91Å
252	T	95.1	Very high	94.9	Very high	23 Å²	23	87.3 Å²	87.3	14%	0.141	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.8	-179.7	-63.6	0	0	0	0	110.6	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.46Å; Q248-T252 PolarHBondContact O-N 2.96Å; Q248-T252 PolarHBondContact O-OG1 3.43Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.83Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.43Å
253	E	96.8	Very high	94.6	Very high	115 Å²	115	88.1 Å²	88.1	54%	0.537	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	106.9	163.2	-173.8	-174	-171.8	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.49Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.49Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.35Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.83Å; E253-A270 PolarHBondContact O-N 2.85Å
254	L	96.8	Very high	94.6	Very high	89 Å²	89	85.5 Å²	85.5	47%	0.466	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.1	177.8	-173.4	67.8	0	0	0	109.8	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.83Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
255	V	96.7	Very high	94.7	Very high	34 Å²	34	81.9 Å²	81.9	21%	0.206	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-85.4	153.7	175.4	-64.9	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CE 3.46Å; V255-K267 WeakPolarHBondContact O-CG 3.33Å; V255-K267 PolarHBondContact O-NZ 3.22Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.24Å; V255-W268 HydrophobicContact CG1-CH2 3.53Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.04Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.21Å; V255-W268 PolarHBondContact N-O 2.81Å
256	E	96.8	Very high	95.1	Very high	160 Å²	160	81.6 Å²	81.6	75%	0.748	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-57.6	146.3	168.2	-68.2	-56.5	155.3	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 2.91Å
257	T	97.9	Very high	95.2	Very high	42 Å²	42	75.5 Å²	75.5	26%	0.258	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-67.5	129.1	175	-56.4	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; A235-T257 HydrophobicContact CB-CG2 4.43Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.38Å; T257-K267 PolarHBondContact OG1-NZ 2.86Å; T257-K267 VanDerWaalsContact OG1-NZ 3.13Å
258	R	97.5	Very high	95.4	Very high	100 Å²	100	72.3 Å²	72.3	38%	0.377	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144	-174.3	68	-170	-178.5	-178.5	4.5	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.91Å; R258-F265 WeakPolarHBondContact O-CA 3.46Å; R258-Q266 HydrophobicContact CG-CG 3.55Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.44Å; R258-Q266 PolarHBondContact O-N 2.85Å
259	P	97.3	Very high	95.5	Very high	96 Å²	96	71 Å²	71	62%	0.623	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	144.7	178.7	29.1	-34.8	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.25Å
260	A	96.4	Very high	95.9	Very high	50 Å²	50	66.1 Å²	66.1	41%	0.413	36%	0.356	S	S	.	.			trans	-89.1	-15.6	173	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.46Å; A260-T264 WeakPolarHBondContact CB-O 3.43Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 2.88Å
261	G	92.9	Very high	96.3	Very high	77 Å²	77	57.1 Å²	57.1	79%	0.794	31%	0.314	S	S	*	.	S	Bend	trans	96.3	-6	179.2	0	0	0	0	0	114.6
262	D	92.8	Very high	96.8	Very high	110 Å²	110	55.2 Å²	55.2	59%	0.588	31%	0.306	S	S	*	.	S	Bend	trans	-115.6	31.9	-179.7	65	-6	0	0	0	111.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.46Å; D262-T264 PolarHBondContact O-N 2.99Å; D262-T264 WeakPolarHBondContact OD1-CB 3.29Å; D262-T264 PolarHBondContact OD1-N 3.08Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3.23Å
263	R	92.5	Very high	96.9	Very high	58 Å²	58	54.2 Å²	54.2	22%	0.219	30%	0.3	C	S	.	.	S	Bend	trans	73.6	-20.3	-169.5	-178.8	-177.7	172.8	-135.2	-12	115.2	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 2.9Å; T202-R263 VanDerWaalsContact CA-NH1 3.31Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 3.02Å; T202-R263 PolarHBondContact O-NH2 2.86Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.28Å; Y233-R263 HydrophobicContact CD2-CG 3.91Å; Y233-R263 HydrophobicContact CE2-CG 4.12Å; R263-F265 WeakPolarHBondContact O-CE2 3.23Å
264	T	97.1	Very high	96.8	Very high	18 Å²	18	50.9 Å²	50.9	11%	0.11	29%	0.288	C	S	.	.			trans	-84.8	168.3	-179.1	75.9	0	0	0	0	112.9	F232 A260 D262	F232-T264 CarbonylContact O-C 3.55Å; F232-T264 WeakPolarHBondContact O-CA 3.22Å; A260-T264 WeakPolarHBondContact CB-O 3.43Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 2.88Å; D262-T264 PolarHBondContact O-N 2.99Å; D262-T264 WeakPolarHBondContact OD1-CB 3.29Å; D262-T264 PolarHBondContact OD1-N 3.08Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3.23Å
265	F	98.4	Very high	96.7	Very high	25 Å²	25	49.3 Å²	49.3	11%	0.11	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	163.6	-180	-64.7	-87.8	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; G231-F265 PolarHBondContact N-O 2.99Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.31Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.49Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.48Å; F232-F265 HydrophobicContact CG-CB 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.87Å; F232-F265 PolarHBondContact O-N 2.8Å; Y233-F265 HydrophobicContact CD2-CE2 4.1Å; A235-F265 HydrophobicContact CB-CD1 3.75Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.78Å; A235-F265 HydrophobicContact CB-CZ 3.62Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.46Å; P259-F265 HydrophobicContact CB-CD1 4.47Å; P259-F265 HydrophobicContact CB-CE1 4.25Å; R263-F265 WeakPolarHBondContact O-CE2 3.23Å
266	Q	98.3	Very high	96.4	Very high	44 Å²	44	50.8 Å²	50.8	21%	0.206	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145	173.8	46.1	170	-24.4	0	0	109.9	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.41Å; L230-Q266 HydrophobicContact CD2-CB 3.55Å; R258-Q266 HydrophobicContact CG-CG 3.55Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.44Å; R258-Q266 PolarHBondContact O-N 2.85Å
267	K	98.6	Very high	96.4	Very high	16 Å²	16	45.8 Å²	45.8	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154.3	176.4	-161	-176.4	-171.4	68.8	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.41Å; A229-K267 PolarHBondContact O-N 3.06Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.39Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.14Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.46Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CE 3.46Å; V255-K267 WeakPolarHBondContact O-CG 3.33Å; V255-K267 PolarHBondContact O-NZ 3.22Å; T257-K267 WeakPolarHBondContact OG1-CD 3.38Å; T257-K267 PolarHBondContact OG1-NZ 2.86Å; T257-K267 VanDerWaalsContact OG1-NZ 3.13Å
268	W	98.4	Very high	96.3	Very high	27 Å²	27	44.7 Å²	44.7	10%	0.102	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.3	169.4	58.9	-99.3	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.14Å; R226-W268 HydrophobicContact CG-CE3 3.92Å; R226-W268 HydrophobicContact CG-CG 4.23Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.41Å; C227-W268 WeakPolarHBondContact O-CB 3.47Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.86Å; W228-W268 HydrophobicContact CE3-CG 4.19Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.31Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å; E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.49Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.49Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.24Å; V255-W268 HydrophobicContact CG1-CH2 3.53Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.04Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.37Å; V255-W268 WeakPolarHBondContact CG2-O 3.21Å; V255-W268 PolarHBondContact N-O 2.81Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
269	A	98.3	Very high	96.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131	174	0	0	0	0	0	108.4	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.26Å; C227-A269 PolarHBondContact N-O 3.26Å; C227-A269 PolarHBondContact O-N 3.31Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; W241-A269 PolarHBondContact NE1-O 3.37Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.59Å; E253-A269 WeakPolarHBondContact O-CA 3.35Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
270	A	98.1	Very high	96.2	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.8	180	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.88Å; L225-A270 CarbonylContact O-C 3.6Å; L225-A270 WeakPolarHBondContact O-CA 3.24Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.55Å; 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 2.83Å; E253-A270 PolarHBondContact O-N 2.85Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
271	V	98	Very high	96.2	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141.6	176	63.4	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.47Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.29Å; L225-V271 PolarHBondContact O-N 3.29Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.63Å; W241-V271 HydrophobicContact CE3-CG1 4.05Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.37Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å
272	V	97.7	Very high	96.5	Very high	71 Å²	71	39.4 Å²	39.4	43%	0.43	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.4	171.5	-179.6	0	0	0	0	108.1	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.05Å; I218-V272 HydrophobicContact CD1-CG2 4.05Å; E222-V272 HydrophobicContact CB-CG1 4.07Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; A223-V272 WeakPolarHBondContact O-CA 3.4Å
273	V	96.8	Very high	96.7	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.7	-175.7	-51.9	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.31Å; A223-V273 PolarHBondContact N-O 2.9Å; A223-V273 PolarHBondContact O-N 3.46Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.46Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; 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 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.6	Very high	97	Very high	45 Å²	45	33 Å²	33	29%	0.292	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	140.7	170.3	-19.8	32	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.41Å; H221-P274 WeakPolarHBondContact O-CA 3.1Å; P274-G276 PolarHBondContact O-N 3.41Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.35Å; P274-E277 PolarHBondContact O-N 3.46Å
275	S	93.2	Very high	97	Very high	56 Å²	56	32.1 Å²	32.1	39%	0.392	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	127.8	174.9	-64	0	0	0	0	110.9	D220 H221 E222 E277 E278	D220-S275 PolarHBondContact O-OG 3.31Å; H221-S275 PolarHBondContact O-N 2.99Å; H221-S275 PolarHBondContact O-OG 3.32Å; E222-S275 PolarHBondContact N-OG 2.85Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.48Å
276	G	91.9	Very high	97	Very high	66 Å²	66	34 Å²	34	68%	0.68	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	-6	-178.9	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.41Å; G276-E278 WeakPolarHBondContact CA-OE2 3.31Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.26Å; G276-E278 PolarHBondContact N-OE2 3.27Å
277	E	95.8	Very high	96.9	Very high	54 Å²	54	32.8 Å²	32.8	25%	0.252	18%	0.181	S	C	.	.			trans	-99.7	3.5	175.9	-65.6	-158.8	-155.3	0	0	113.7	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.56Å; R243-E277 IonicContact NE-OE2 3.56Å; R243-E277 IonicContact NH2-OE1 3.42Å; R243-E277 IonicContact NH2-OE2 3.62Å; R243-E277 PolarHBondContact NH2-OE2 3.21Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.49Å; P274-E277 WeakPolarHBondContact O-CB 3.35Å; P274-E277 PolarHBondContact O-N 3.46Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.47Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 3Å; E277-R280 IonicContact OE1-NH1 2.81Å; E277-R280 IonicContact OE2-CZ 3.11Å; E277-R280 IonicContact OE2-NE 2.83Å; E277-R280 IonicContact OE2-NH1 2.62Å; E277-R280 PolarHBondContact OE2-NH1 2.75Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.4Å
278	E	95.2	Very high	96.7	Very high	20 Å²	20	36.2 Å²	36.2	9%	0.093	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-57.3	-32.9	-170.7	-56.8	81	-177.6	0	0	112.6	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.68Å; L225-E278 HydrophobicContact CD1-CB 4.09Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.32Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; S275-E278 WeakPolarHBondContact CA-OE1 3.48Å; G276-E278 WeakPolarHBondContact CA-OE2 3.31Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.26Å; G276-E278 PolarHBondContact N-OE2 3.27Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.79Å; E278-Y281 PolarHBondContact O-N 2.89Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	95.4	Very high	96.4	Very high	92 Å²	92	35.8 Å²	35.8	43%	0.43	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-72.7	-16	-179	-62.8	-56.4	-45.5	0	0	114.1	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.47Å; Q279-R297 PolarHBondContact O-NE 3.09Å; Q279-W298 PolarHBondContact NE2-O 2.71Å
280	R	96.9	Very high	96.3	Very high	100 Å²	100	37.1 Å²	37.1	38%	0.377	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-76.2	-17.1	172.9	-63.3	173.8	67.4	178.3	5.3	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.19Å; R243-R280 HydrophobicContact CG-CB 4.39Å; D244-R280 PolarHBondContact N-O 3.46Å; D244-R280 IonicContact OD1-NE 3.02Å; D244-R280 PolarHBondContact OD1-NE 3.46Å; D244-R280 IonicContact OD2-CZ 3.75Å; D244-R280 IonicContact OD2-NE 3.76Å; D244-R280 PolarHBondContact OD2-NE 3Å; D244-R280 IonicContact OD2-NH2 3.79Å; D244-R280 PolarHBondContact OD2-NH2 2.88Å; E277-R280 WeakPolarHBondContact O-CB 3.33Å; E277-R280 PolarHBondContact O-N 3Å; E277-R280 IonicContact OE1-NH1 2.81Å; E277-R280 IonicContact OE2-CZ 3.11Å; E277-R280 IonicContact OE2-NE 2.83Å; E277-R280 IonicContact OE2-NH1 2.62Å; E277-R280 PolarHBondContact OE2-NH1 2.75Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 2.79Å
281	Y	97.7	Very high	96.1	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.027	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.5	-177.8	-69.5	-100.5	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.26Å; R243-Y281 HydrophobicContact CB-CD1 4.11Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.34Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.46Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.37Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.03Å; 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 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.4Å; E278-Y281 PolarHBondContact O-N 2.89Å
282	T	98	Very high	95.9	Very high	12 Å²	12	50.3 Å²	50.3	7%	0.074	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.3	175.4	47.7	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.3Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 3.44Å; Q242-T282 PolarHBondContact O-N 3.34Å; T282-H284 PolarHBondContact O-CD2 2.85Å; T282-H284 PolarHBondContact OG1-NE2 3.18Å; T282-T295 HydrophobicContact CG2-CG2 3.89Å; T282-L296 CarbonylContact C-O 3.48Å; T282-L296 VanDerWaalsContact CA-O 3.31Å; T282-L296 WeakPolarHBondContact CA-O 3.47Å; T282-R297 HydrophobicContact CG2-CG 3.66Å
283	C	98.2	Very high	95.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.8	169.5	174.5	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.4Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.23Å; T240-C283 CarbonylContact O-C 3.51Å; T240-C283 WeakPolarHBondContact O-CA 3.32Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.96Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.42Å; C283-L296 HydrophobicContact CB-CB 4.32Å; C283-L296 PolarHBondContact N-O 2.87Å; C283-L296 PolarHBondContact O-N 3.34Å
284	H	97.9	Very high	95.8	Very high	34 Å²	34	52.5 Å²	52.5	16%	0.157	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.1	176.9	-63.5	-105.8	0	0	0	109.7	L239 T240 Q242 T282 L294	L239-H284 WeakPolarHBondContact CA-O 3.31Å; T240-H284 PolarHBondContact N-O 3.05Å; T240-H284 PolarHBondContact O-N 3.28Å; Q242-H284 PolarHBondContact OE1-NE2 2.96Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.16Å; T282-H284 PolarHBondContact O-CD2 2.85Å; T282-H284 PolarHBondContact OG1-NE2 3.18Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 WeakPolarHBondContact CA-O 3.17Å
285	V	98.2	Very high	95.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.1	-178.3	-174.3	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4Å; I237-V285 HydrophobicContact CD1-CG1 3.93Å; I237-V285 HydrophobicContact CG1-CG1 4.24Å; T238-V285 WeakPolarHBondContact O-CA 3.4Å; L239-V285 HydrophobicContact CD1-CG1 4.12Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; V285-P293 WeakPolarHBondContact O-CA 3.49Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.7Å; V285-L294 PolarHBondContact O-N 2.96Å; V285-L296 HydrophobicContact CG2-CD1 3.75Å
286	Q	97.6	Very high	96	Very high	65 Å²	65	53.1 Å²	53.1	30%	0.304	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.8	174.3	-52.5	179.5	13.7	0	0	109.2	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.46Å; T238-Q286 PolarHBondContact N-O 3.22Å; T238-Q286 PolarHBondContact O-N 3.15Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	96.3	Very high	96.2	Very high	17 Å²	17	57 Å²	57	8%	0.079	29%	0.285	C	S	.	.			trans	-157.8	146.2	-177.7	-174	-97.6	0	0	0	109	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.47Å; D207-H287 VanDerWaalsContact O-CE1 3.31Å; P209-H287 HydrophobicContact CG-CB 4.08Å; F232-H287 AromaticContact CD2-CD2 3.81Å; F232-H287 AromaticContact CD2-NE2 3.67Å; Y233-H287 PolarHBondContact O-CE1 2.87Å; P234-H287 PolarHBondContact O-NE2 2.93Å; E236-H287 PolarHBondContact O-CD2 2.86Å; I237-H287 HydrophobicContact CD1-CB 4.34Å; I237-H287 HydrophobicContact CG1-CB 4.1Å; H287-G289 PolarHBondContact ND1-N 2.89Å; H287-G289 PolarHBondContact O-N 3.45Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.23Å; H287-L290 PolarHBondContact O-N 3.49Å
288	E	93.6	Very high	96.3	Very high	88 Å²	88	56.5 Å²	56.5	41%	0.411	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.2	-179.4	-175.3	-176.3	174.9	0	0	113	A206 L290	A206-E288 HydrophobicContact CB-CG 4.38Å; E288-L290 PolarHBondContact O-N 2.87Å
289	G	93.9	Very high	96	Very high	19 Å²	19	63.4 Å²	63.4	20%	0.196	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.5	177.5	0	0	0	0	0	114	H287	H287-G289 PolarHBondContact ND1-N 2.89Å; H287-G289 PolarHBondContact O-N 3.45Å
290	L	95.4	Very high	95.4	Very high	27 Å²	27	62.9 Å²	62.9	14%	0.141	32%	0.318	C	S	.	.			trans	-95.5	125.8	179.1	-65.9	171.2	0	0	0	110.9	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.91Å; P208-L290 HydrophobicContact CB-CG 4.46Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.42Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; H287-L290 HydrophobicContact CB-CD1 3.94Å; H287-L290 HydrophobicContact CB-CG 4.12Å; H287-L290 WeakPolarHBondContact O-CB 3.23Å; H287-L290 PolarHBondContact O-N 3.49Å; E288-L290 PolarHBondContact O-N 2.87Å; L290-K292 WeakPolarHBondContact CB-O 3.48Å; L290-K292 PolarHBondContact O-N 3.43Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.94Å
291	P	93.3	Very high	93.8	Very high	134 Å²	134	63 Å²	63	87%	0.87	33%	0.334	S	S	*	.	S	Bend	trans	-66.8	-21.3	177	28.2	-35.4	0	0	0	112.8
292	K	93.7	Very high	91.4	Very high	148 Å²	148	67.9 Å²	67.9	64%	0.643	37%	0.369	S	S	*	.	S	Bend	trans	-150.7	149.8	172.6	58.9	179.2	178.9	177.2	0	109.1	L290	L290-K292 WeakPolarHBondContact CB-O 3.48Å; L290-K292 PolarHBondContact O-N 3.43Å
293	P	95.8	Very high	88.9	Confident	67 Å²	67	75.3 Å²	75.3	44%	0.435	40%	0.403	S	S	.	.			trans	-51.8	142.5	172.4	-27.9	36.2	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.49Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	96.9	Very high	86.2	Confident	52 Å²	52	79.7 Å²	79.7	27%	0.272	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.3	174.5	-62.3	178.5	0	0	0	110.1	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.3Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 WeakPolarHBondContact CA-O 3.17Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.7Å; V285-L294 PolarHBondContact O-N 2.96Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.69Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.94Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
295	T	97.8	Very high	83.8	Confident	87 Å²	87	84 Å²	84	53%	0.534	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.9	170.4	-55.1	0	0	0	0	108	T282 C283	T282-T295 HydrophobicContact CG2-CG2 3.89Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.42Å
296	L	97.2	Very high	81.5	Confident	27 Å²	27	87.5 Å²	87.5	14%	0.141	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.8	-179.4	-61.7	101.4	0	0	0	110.8	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.41Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.43Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; T282-L296 CarbonylContact C-O 3.48Å; T282-L296 VanDerWaalsContact CA-O 3.31Å; T282-L296 WeakPolarHBondContact CA-O 3.47Å; C283-L296 HydrophobicContact CB-CB 4.32Å; C283-L296 PolarHBondContact N-O 2.87Å; C283-L296 PolarHBondContact O-N 3.34Å; V285-L296 HydrophobicContact CG2-CD1 3.75Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
297	R	96.3	Very high	79.4	Confident	146 Å²	146	88.4 Å²	88.4	55%	0.551	50%	0.496	S	S	*	.			trans	-116.9	162.8	164.1	-71.6	-173.1	175.8	132.8	1.3	109.2	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.09Å; T282-R297 HydrophobicContact CG2-CG 3.66Å; R297-E299 PolarHBondContact O-N 3.39Å
298	W	95.9	Very high	77.7	Confident	45 Å²	45	93.6 Å²	93.6	17%	0.17	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-68.9	121	166.1	171.4	57.3	0	0	0	109.9	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.07Å; H215-W298 VanDerWaalsContact CB-CE2 3.49Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 3.98Å; H215-W298 AromaticContact CG-CE2 3.75Å; H215-W298 AromaticContact CG-CZ2 3.77Å; H215-W298 AromaticContact ND1-CZ2 3.94Å; L225-W298 HydrophobicContact CD1-CB 4.41Å; L225-W298 HydrophobicContact CD2-CB 3.79Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.95Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 2.71Å; W298-P300 HydrophobicContact CE3-CG 4.31Å; W298-P300 HydrophobicContact CH2-CB 4.15Å; W298-P300 HydrophobicContact CH2-CG 3.88Å; W298-P300 HydrophobicContact CZ2-CB 3.94Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å
299	E	90.1	Very high	76.2	Confident	165 Å²	165	95.2 Å²	95.2	77%	0.771	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-98.1	118.1	168.1	-71.4	-179.3	176.1	0	0	108.3	R297 S301	R297-E299 PolarHBondContact O-N 3.39Å; E299-S301 PolarHBondContact O-N 2.62Å; E299-S301 VanDerWaalsContact O-N 3.09Å
300	P	82.5	Confident	74.9	Confident	80 Å²	80	96.4 Å²	96.4	52%	0.519	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-56.5	120.7	170.8	-18.7	29.1	0	0	0	107.5	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.31Å; W298-P300 HydrophobicContact CH2-CB 4.15Å; W298-P300 HydrophobicContact CH2-CG 3.88Å; W298-P300 HydrophobicContact CZ2-CB 3.94Å; W298-P300 HydrophobicContact CZ2-CG 4.02Å; W298-P300 HydrophobicContact CZ3-CG 4.01Å; P300-S302 PolarHBondContact O-N 2.99Å
301	S	63.2	Low	73.8	Confident	102 Å²	102	99.7 Å²	99.7	71%	0.713	57%	0.567	S	S	*	*			trans	-49.7	114.1	179.1	47.7	0	0	0	0	108.4	E299 Q303	E299-S301 PolarHBondContact O-N 2.62Å; E299-S301 VanDerWaalsContact O-N 3.09Å; S301-Q303 PolarHBondContact O-N 3.38Å
302	S	48.3	Very low	73	Confident	111 Å²	111	97.7 Å²	97.7	78%	0.776	55%	0.552	S	S	*	*			trans	-66.8	81.1	162.7	60.3	0	0	0	0	105.7	P300 S304	P300-S302 PolarHBondContact O-N 2.99Å; S302-S304 PolarHBondContact O-N 3.31Å
303	Q	44.8	Very low	72.2	Confident	168 Å²	168	93.1 Å²	93.1	79%	0.785	54%	0.542	S	S	*	.			trans	-57.6	93	147.5	-84.6	-173.2	-8.3	0	0	103.4	S301 T305	S301-Q303 PolarHBondContact O-N 3.38Å; Q303-T305 PolarHBondContact O-N 3.27Å; Q303-T305 PolarHBondContact O-OG1 2.89Å
304	S	40.7	Very low	71.5	Confident	91 Å²	91	91.8 Å²	91.8	64%	0.636	54%	0.54	S	S	*	.			trans	-55.2	95.8	164.5	167.3	0	0	0	0	103.9	S302 V306	S302-S304 PolarHBondContact O-N 3.31Å; S304-V306 PolarHBondContact O-N 2.8Å; S304-V306 WeakPolarHBondContact OG-CG2 3.41Å
305	T	47.5	Very low	71	Confident	125 Å²	125	94.7 Å²	94.7	77%	0.767	56%	0.555	S	S	*	*			trans	-63.4	74.2	157.5	-35.6	0	0	0	0	104.3	Q303 P307	Q303-T305 PolarHBondContact O-N 3.27Å; Q303-T305 PolarHBondContact O-OG1 2.89Å; T305-P307 WeakPolarHBondContact O-CD 3.26Å
306	V	50.6	Low	70.4	Confident	73 Å²	73	93.1 Å²	93.1	44%	0.442	55%	0.551	S	S	.	*			trans	-48.1	119.9	155.1	179.4	0	0	0	0	102.3	S304 I308 I311	S304-V306 PolarHBondContact O-N 2.8Å; S304-V306 WeakPolarHBondContact OG-CG2 3.41Å; V306-I308 PolarHBondContact O-N 2.73Å; V306-I311 HydrophobicContact CG1-CD1 3.93Å
307	P	53.5	Low	69.8	Low	85 Å²	85	96.4 Å²	96.4	55%	0.552	57%	0.572	S	S	*	*			trans	-71.5	83.2	-173.4	27.9	-31.9	0	0	0	106.5	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.26Å; P307-V309 PolarHBondContact O-N 3.35Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.43Å; P307-G310 PolarHBondContact O-N 3.15Å; P307-I311 PolarHBondContact O-N 3.26Å; P307-I311 VanDerWaalsContact O-N 3.17Å
308	I	59.8	Low	69.4	Low	125 Å²	125	94.7 Å²	94.7	64%	0.641	57%	0.573	S	S	*	*	H	α-helix	trans	-54.6	-33.9	176.4	-67.9	166.1	0	0	0	108	V306 G310 I311 V312	V306-I308 PolarHBondContact O-N 2.73Å; I308-G310 PolarHBondContact O-N 3.11Å; I308-I311 PolarHBondContact O-N 3.37Å; I308-V312 HydrophobicContact CG2-CG2 4.3Å; I308-V312 WeakPolarHBondContact O-CB 3.17Å; I308-V312 WeakPolarHBondContact O-CG2 3.31Å; I308-V312 PolarHBondContact O-N 2.86Å
309	V	62.1	Low	68.9	Low	123 Å²	123	94.9 Å²	94.9	75%	0.745	59%	0.585	S	S	*	*	H	α-helix	trans	-59.6	-41.8	171.9	-176.2	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 3.35Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.26Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.03Å
310	G	66.5	Low	68.8	Low	43 Å²	43	92 Å²	92	44%	0.443	58%	0.578	S	S	.	*	H	α-helix	trans	-69.1	-38	179.1	0	0	0	0	0	113	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.43Å; P307-G310 PolarHBondContact O-N 3.15Å; I308-G310 PolarHBondContact O-N 3.11Å; G310-G314 PolarHBondContact O-N 2.91Å
311	I	73.1	Confident	69	Low	97 Å²	97	92.7 Å²	92.7	50%	0.497	58%	0.581	S	S	.	*	H	α-helix	trans	-69.1	-43.9	176.1	-62.5	173.2	0	0	0	110.5	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 3.93Å; P307-I311 PolarHBondContact O-N 3.26Å; P307-I311 VanDerWaalsContact O-N 3.17Å; I308-I311 PolarHBondContact O-N 3.37Å; I311-G314 PolarHBondContact O-N 3.49Å; I311-L315 HydrophobicContact CG2-CD1 4.04Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 WeakPolarHBondContact O-CG 3.36Å; I311-L315 PolarHBondContact O-N 3.09Å
312	V	76.3	Confident	70.1	Confident	91 Å²	91	91.7 Å²	91.7	55%	0.552	57%	0.57	S	S	*	*	H	α-helix	trans	-65.2	-43.7	178.1	172.6	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.3Å; I308-V312 WeakPolarHBondContact O-CB 3.17Å; I308-V312 WeakPolarHBondContact O-CG2 3.31Å; I308-V312 PolarHBondContact O-N 2.86Å; V312-L315 PolarHBondContact O-N 3Å; V312-A316 WeakPolarHBondContact O-CB 3.31Å; V312-A316 PolarHBondContact O-N 3.25Å
313	A	77.2	Confident	71.9	Confident	53 Å²	53	91.7 Å²	91.7	44%	0.438	56%	0.56	S	S	.	*	H	α-helix	trans	-62.7	-43.1	175.3	0	0	0	0	0	111.8	V309 L315 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.26Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.03Å; A313-L315 PolarHBondContact O-N 3.37Å; A313-A316 PolarHBondContact O-N 3.12Å; A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 3.24Å; A313-V317 VanDerWaalsContact O-N 3.08Å
314	G	82.1	Confident	73.8	Confident	38 Å²	38	85.6 Å²	85.6	39%	0.392	54%	0.543	S	S	.	.	H	α-helix	trans	-60.5	-44.9	176.6	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.91Å; I311-G314 PolarHBondContact O-N 3.49Å; G314-V317 PolarHBondContact O-N 2.88Å; G314-L318 PolarHBondContact O-N 3.27Å; G314-L318 VanDerWaalsContact O-N 3.07Å
315	L	86.3	Confident	75.7	Confident	114 Å²	114	84.1 Å²	84.1	60%	0.597	54%	0.536	S	S	*	.	H	α-helix	trans	-66.2	-38.5	177.6	-72.9	171	0	0	0	112.6	I311 V312 A313 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.04Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 WeakPolarHBondContact O-CG 3.36Å; I311-L315 PolarHBondContact O-N 3.09Å; V312-L315 PolarHBondContact O-N 3Å; A313-L315 PolarHBondContact O-N 3.37Å; L315-L318 PolarHBondContact O-N 2.9Å; L315-A319 WeakPolarHBondContact O-CB 3.35Å; L315-A319 PolarHBondContact O-N 3.24Å
316	A	84.1	Confident	77.5	Confident	54 Å²	54	82.2 Å²	82.2	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-63.7	-43.6	176.8	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.31Å; V312-A316 PolarHBondContact O-N 3.25Å; A313-A316 PolarHBondContact O-N 3.12Å; A316-A319 PolarHBondContact O-N 2.94Å; A316-V320 WeakPolarHBondContact O-CG2 3.41Å; A316-V320 PolarHBondContact O-N 2.98Å; A316-V320 VanDerWaalsContact O-N 3.1Å
317	V	85.9	Confident	78.9	Confident	96 Å²	96	82.5 Å²	82.5	58%	0.582	53%	0.526	S	S	*	.	H	α-helix	trans	-63.3	-43.8	176.5	174	0	0	0	0	110.9	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 3.24Å; A313-V317 VanDerWaalsContact O-N 3.08Å; G314-V317 PolarHBondContact O-N 2.88Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.43Å; V317-V320 PolarHBondContact O-N 3.26Å; V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.36Å; V317-V321 PolarHBondContact O-N 3.48Å
318	L	87	Confident	80.1	Confident	109 Å²	109	81 Å²	81	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-60	-43.2	177	-117.4	151.8	0	0	0	112	G314 L315 V320 V321 V322	G314-L318 PolarHBondContact O-N 3.27Å; G314-L318 VanDerWaalsContact O-N 3.07Å; L315-L318 PolarHBondContact O-N 2.9Å; L318-V320 PolarHBondContact O-N 3.41Å; L318-V321 PolarHBondContact O-N 2.81Å; L318-V322 HydrophobicContact CD2-CG2 4.49Å; L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.4Å; L318-V322 PolarHBondContact O-N 3Å
319	A	85.9	Confident	80.9	Confident	50 Å²	50	77.7 Å²	77.7	41%	0.413	51%	0.512	S	S	.	.	H	α-helix	trans	-61.5	-43.4	176.5	0	0	0	0	0	112.1	L315 A316 V317 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.35Å; L315-A319 PolarHBondContact O-N 3.24Å; A316-A319 PolarHBondContact O-N 2.94Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.43Å; A319-V322 PolarHBondContact O-N 3.15Å; A319-I323 WeakPolarHBondContact O-CB 3.42Å; A319-I323 WeakPolarHBondContact O-CD1 3.32Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.38Å; A319-I323 PolarHBondContact O-N 3.25Å
320	V	86.8	Confident	81.6	Confident	104 Å²	104	75.8 Å²	75.8	63%	0.63	50%	0.501	S	S	*	.	H	α-helix	trans	-63.4	-42.5	177.4	173.3	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.41Å; A316-V320 PolarHBondContact O-N 2.98Å; A316-V320 VanDerWaalsContact O-N 3.1Å; V317-V320 PolarHBondContact O-N 3.26Å; L318-V320 PolarHBondContact O-N 3.41Å; V320-I323 PolarHBondContact O-N 3.01Å; V320-G324 PolarHBondContact O-N 2.8Å
321	V	87.9	Confident	81.9	Confident	95 Å²	95	79.9 Å²	79.9	58%	0.576	51%	0.51	S	S	*	.	H	α-helix	trans	-63.3	-44.3	177.8	172.2	0	0	0	0	111.2	V317 L318 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.36Å; V317-V321 PolarHBondContact O-N 3.48Å; L318-V321 PolarHBondContact O-N 2.81Å; V321-G324 PolarHBondContact O-N 2.93Å; V321-A325 WeakPolarHBondContact O-CB 3.38Å; V321-A325 PolarHBondContact O-N 2.98Å
322	V	86.5	Confident	81.7	Confident	81 Å²	81	79.7 Å²	79.7	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-63.1	-47.4	178.3	172.3	0	0	0	0	110.6	L318 A319 G324 A325 V326	L318-V322 HydrophobicContact CD2-CG2 4.49Å; L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.4Å; L318-V322 PolarHBondContact O-N 3Å; A319-V322 PolarHBondContact O-N 3.15Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.41Å; V322-A325 PolarHBondContact O-N 2.64Å; V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 WeakPolarHBondContact O-CG2 3.44Å; V322-V326 PolarHBondContact O-N 3.21Å
323	I	85.4	Confident	81.2	Confident	110 Å²	110	85 Å²	85	56%	0.564	53%	0.526	S	S	*	.	H	α-helix	trans	-60	-45.3	177.6	-67.3	166.2	0	0	0	110.5	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.42Å; A319-I323 WeakPolarHBondContact O-CD1 3.32Å; A319-I323 VanDerWaalsContact O-CG1 3.23Å; A319-I323 WeakPolarHBondContact O-CG1 3.38Å; A319-I323 PolarHBondContact O-N 3.25Å; V320-I323 PolarHBondContact O-N 3.01Å; I323-A325 PolarHBondContact O-N 2.87Å; I323-V326 PolarHBondContact O-N 3.24Å; I323-V327 HydrophobicContact CG2-CG2 4.4Å; I323-V327 WeakPolarHBondContact O-CG2 3.08Å; I323-V327 PolarHBondContact O-N 3.35Å
324	G	83.8	Confident	80.3	Confident	41 Å²	41	92.7 Å²	92.7	42%	0.423	54%	0.544	S	S	.	.	H	α-helix	trans	-59	-44.3	176.6	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 2.8Å; V321-G324 PolarHBondContact O-N 2.93Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.41Å; G324-V327 PolarHBondContact O-N 3.28Å; G324-A328 WeakPolarHBondContact O-CB 3.41Å; G324-A328 PolarHBondContact O-N 2.88Å
325	A	82.5	Confident	79	Confident	60 Å²	60	100.2 Å²	100.2	50%	0.496	57%	0.565	S	S	.	*	H	α-helix	trans	-64.8	-41.3	177.4	0	0	0	0	0	112.4	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.38Å; V321-A325 PolarHBondContact O-N 2.98Å; V322-A325 PolarHBondContact O-N 2.64Å; I323-A325 PolarHBondContact O-N 2.87Å; A325-A328 PolarHBondContact O-N 3.2Å; A325-A329 WeakPolarHBondContact O-CB 3.28Å; A325-A329 PolarHBondContact O-N 2.73Å
326	V	83.9	Confident	77.5	Confident	84 Å²	84	99.4 Å²	99.4	51%	0.509	57%	0.569	S	S	.	*	H	α-helix	trans	-64.2	-45.8	176.1	175.6	0	0	0	0	111	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 WeakPolarHBondContact O-CG2 3.44Å; V322-V326 PolarHBondContact O-N 3.21Å; I323-V326 PolarHBondContact O-N 3.24Å; V326-A328 PolarHBondContact O-N 3.35Å; V326-A329 PolarHBondContact O-N 3.46Å; V326-V330 HydrophobicContact CG1-CG2 4.33Å; V326-V330 VanDerWaalsContact O-CG2 3.3Å; V326-V330 WeakPolarHBondContact O-CG2 3.22Å; V326-V330 PolarHBondContact O-N 3.02Å
327	V	81.4	Confident	75.9	Confident	79 Å²	79	104.3 Å²	104.3	48%	0.479	60%	0.601	S	S	.	*	H	α-helix	trans	-61.4	-45.1	178	172	0	0	0	0	110.9	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.4Å; I323-V327 WeakPolarHBondContact O-CG2 3.08Å; I323-V327 PolarHBondContact O-N 3.35Å; G324-V327 PolarHBondContact O-N 3.28Å; V327-A329 PolarHBondContact O-N 3.22Å; V327-V330 PolarHBondContact O-N 3.09Å; V327-M331 HydrophobicContact CG1-CG 4.44Å; V327-M331 HydrophobicContact CG1-SD 4.16Å; V327-M331 WeakPolarHBondContact O-CB 3.47Å; V327-M331 WeakPolarHBondContact O-CG 3.14Å; V327-M331 PolarHBondContact O-N 2.96Å
328	A	77.8	Confident	75.4	Confident	54 Å²	54	104.8 Å²	104.8	45%	0.446	60%	0.601	S	S	.	*	H	α-helix	trans	-60.8	-44.4	176.5	0	0	0	0	0	112	G324 A325 V326 V330 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.41Å; G324-A328 PolarHBondContact O-N 2.88Å; A325-A328 PolarHBondContact O-N 3.2Å; V326-A328 PolarHBondContact O-N 3.35Å; A328-V330 PolarHBondContact O-N 3.05Å; A328-M331 PolarHBondContact O-N 2.76Å; A328-C332 WeakPolarHBondContact O-CB 3.19Å; A328-C332 PolarHBondContact O-N 2.75Å; A328-C332 PolarHBondContact O-SG 2.7Å
329	A	77.1	Confident	74.8	Confident	56 Å²	56	104.5 Å²	104.5	46%	0.463	60%	0.603	S	S	.	*	H	α-helix	trans	-63.7	-40.6	177.5	0	0	0	0	0	112.6	A325 V326 V327 C332 R333	A325-A329 WeakPolarHBondContact O-CB 3.28Å; A325-A329 PolarHBondContact O-N 2.73Å; V326-A329 PolarHBondContact O-N 3.46Å; V327-A329 PolarHBondContact O-N 3.22Å; A329-C332 PolarHBondContact O-N 3.3Å; A329-R333 PolarHBondContact O-N 2.96Å
330	V	75.4	Confident	74.2	Confident	83 Å²	83	107.6 Å²	107.6	50%	0.503	61%	0.614	S	S	.	*	H	α-helix	trans	-65.9	-42.3	175.8	170.7	0	0	0	0	111	V326 V327 A328 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.33Å; V326-V330 VanDerWaalsContact O-CG2 3.3Å; V326-V330 WeakPolarHBondContact O-CG2 3.22Å; V326-V330 PolarHBondContact O-N 3.02Å; V327-V330 PolarHBondContact O-N 3.09Å; A328-V330 PolarHBondContact O-N 3.05Å; V330-R333 PolarHBondContact O-N 3.2Å; V330-R334 PolarHBondContact O-N 3.36Å
331	M	73.3	Confident	73.4	Confident	129 Å²	129	107.8 Å²	107.8	64%	0.635	61%	0.613	S	S	*	*	H	α-helix	trans	-65.4	-40.6	176.4	-73.7	-174	67	0	0	112.4	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.44Å; V327-M331 HydrophobicContact CG1-SD 4.16Å; V327-M331 WeakPolarHBondContact O-CB 3.47Å; V327-M331 WeakPolarHBondContact O-CG 3.14Å; V327-M331 PolarHBondContact O-N 2.96Å; A328-M331 PolarHBondContact O-N 2.76Å; M331-R334 PolarHBondContact O-N 3.18Å; M331-K335 PolarHBondContact O-N 3.46Å
332	C	69.1	Low	72.5	Confident	92 Å²	92	108.6 Å²	108.6	62%	0.622	62%	0.615	S	S	*	*	H	α-helix	trans	-61.2	-43.7	173.2	-77.3	0	0	0	0	111.5	A328 A329 R334 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.19Å; A328-C332 PolarHBondContact O-N 2.75Å; A328-C332 PolarHBondContact O-SG 2.7Å; A329-C332 PolarHBondContact O-N 3.3Å; C332-R334 VanDerWaalsContact C-N 3.35Å; C332-R334 PolarHBondContact O-N 2.95Å; C332-K335 PolarHBondContact O-N 3.46Å; C332-S336 PolarHBondContact O-N 2.93Å; C332-S336 PolarHBondContact O-OG 2.89Å
333	R	65.4	Low	71.6	Confident	204 Å²	204	110.4 Å²	110.4	77%	0.77	62%	0.623	S	S	*	*	H	α-helix	trans	-65.5	-34	176.7	-81.3	-172.5	169.1	-177.4	-1.6	113.7	A329 V330 K335 S336	A329-R333 PolarHBondContact O-N 2.96Å; V330-R333 PolarHBondContact O-N 3.2Å; R333-K335 VanDerWaalsContact C-N 3.28Å; R333-K335 PolarHBondContact O-N 3.06Å; R333-S336 WeakPolarHBondContact CA-OG 3.26Å; R333-S336 PolarHBondContact O-OG 3.16Å; R333-S336 VanDerWaalsContact O-OG 3.1Å
334	R	59.1	Low	70.6	Confident	214 Å²	214	110.4 Å²	110.4	81%	0.808	63%	0.627	S	S	*	*	H	α-helix	trans	-72.9	-18.5	176.4	-115.6	-177.5	174	-179	-1.6	113.9	V330 M331 C332	V330-R334 PolarHBondContact O-N 3.36Å; M331-R334 PolarHBondContact O-N 3.18Å; C332-R334 VanDerWaalsContact C-N 3.35Å; C332-R334 PolarHBondContact O-N 2.95Å
335	K	55.1	Low	69.6	Low	195 Å²	195	115.8 Å²	115.8	85%	0.848	64%	0.643	S	S	*	*	H	α-helix	trans	-95.1	-11.5	179.6	-140.6	176.6	-174.5	-177.8	0	112.8	M331 C332 R333	M331-K335 PolarHBondContact O-N 3.46Å; C332-K335 PolarHBondContact O-N 3.46Å; R333-K335 VanDerWaalsContact C-N 3.28Å; R333-K335 PolarHBondContact O-N 3.06Å
336	S	54.1	Low	68.5	Low	98 Å²	98	120.4 Å²	120.4	69%	0.685	66%	0.655	S	S	*	*			trans	-105.4	7.6	178.5	56.6	0	0	0	0	113.8	C332 R333	C332-S336 PolarHBondContact O-N 2.93Å; C332-S336 PolarHBondContact O-OG 2.89Å; R333-S336 WeakPolarHBondContact CA-OG 3.26Å; R333-S336 PolarHBondContact O-OG 3.16Å; R333-S336 VanDerWaalsContact O-OG 3.1Å
337	S	50.3	Low	67.1	Low	157 Å²	157	123.7 Å²	123.7	100%	1.098	67%	0.669	S	S	*	*			trans	-120.7	0	167.2	-176.2	0	0	0	0	108.5

Retrieved 337 of 337 residues in 470.2 ms (Link to these results)

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