X5LKD6_HUMAN Loading...

HLA-A protein

AlphaFold DB , UniProt , Accession X5LKD6, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 365 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	39.7	Very low	241 Å²	241	133.3 Å²	133.3	100%	1.187	73%	0.728	S	S	*	*				0	95.1	0	-87.5	175.7	-83.2	0	0	108
2	A	34.4	Very low	39.9	Very low	105 Å²	105	132.9 Å²	132.9	87%	0.868	72%	0.724	S	S	*	*			trans	-98.2	109.5	169.3	0	0	0	0	0	106.4	M4	A2-M4 PolarHBondContact O-N 3.24Å
3	V	35.6	Very low	39.7	Very low	142 Å²	142	130.2 Å²	130.2	86%	0.861	71%	0.707	S	S	*	*			trans	-75	104.7	176.1	178.5	0	0	0	0	106.8	A5	V3-A5 PolarHBondContact O-N 3.17Å
4	M	36.1	Very low	39.7	Very low	179 Å²	179	125.1 Å²	125.1	88%	0.882	69%	0.687	S	S	*	*			trans	-76.9	102.6	176.3	-167.1	167.7	51.7	0	0	107.7	A2	A2-M4 PolarHBondContact O-N 3.24Å
5	A	39.8	Very low	39.8	Very low	56 Å²	56	119 Å²	119	46%	0.463	66%	0.664	S	S	.	*			trans	-61.2	145.1	174.6	0	0	0	0	0	110.2	V3 R7	V3-A5 PolarHBondContact O-N 3.17Å; A5-R7 PolarHBondContact O-N 3.31Å
6	P	40.2	Very low	40	Very low	78 Å²	78	115.2 Å²	115.2	51%	0.506	65%	0.652	S	S	.	*			trans	-65.9	127.7	-176.3	-9.6	24.3	0	0	0	109.6	T8 L9	P6-T8 PolarHBondContact O-N 3.25Å; P6-L9 WeakPolarHBondContact O-CB 3.47Å; P6-L9 PolarHBondContact O-N 3.34Å
7	R	44.9	Very low	39.7	Very low	223 Å²	223	114.9 Å²	114.9	84%	0.842	65%	0.648	S	S	*	*	H	α-helix	trans	-52.7	-24.8	178	-87.5	177.6	161.3	151.5	-5.7	113.9	A5 L11	A5-R7 PolarHBondContact O-N 3.31Å; R7-L11 PolarHBondContact O-N 2.92Å
8	T	45.9	Very low	39.6	Very low	100 Å²	100	111.8 Å²	111.8	61%	0.613	64%	0.639	S	S	*	*	H	α-helix	trans	-69.3	-35.1	174.8	32.3	0	0	0	0	113.5	P6 L11 L12	P6-T8 PolarHBondContact O-N 3.25Å; T8-L11 PolarHBondContact O-N 3.45Å; T8-L12 PolarHBondContact O-N 3.02Å
9	L	40.2	Very low	39.5	Very low	102 Å²	102	109.8 Å²	109.8	53%	0.534	63%	0.626	S	S	.	*	H	α-helix	trans	-70.3	-36.1	177.8	-146	87.5	0	0	0	111.2	P6 L13	P6-L9 WeakPolarHBondContact O-CB 3.47Å; P6-L9 PolarHBondContact O-N 3.34Å; L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 WeakPolarHBondContact O-CD1 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 2.91Å; L9-L13 VanDerWaalsContact O-N 3.12Å
10	L	39.2	Very low	39.4	Very low	116 Å²	116	109.2 Å²	109.2	61%	0.607	62%	0.624	S	S	*	*	H	α-helix	trans	-65.3	-39.3	176	-115.8	92.7	0	0	0	112.1	S14	L10-S14 PolarHBondContact O-N 3.33Å; L10-S14 PolarHBondContact O-OG 3.12Å
11	L	46.9	Very low	39.3	Very low	124 Å²	124	112.2 Å²	112.2	65%	0.649	63%	0.633	S	S	*	*	H	α-helix	trans	-68.7	-41.7	-179.9	-77	165	0	0	0	112.6	R7 T8 S14 G15	R7-L11 PolarHBondContact O-N 2.92Å; T8-L11 PolarHBondContact O-N 3.45Å; L11-S14 VanDerWaalsContact CA-OG 3.26Å; L11-S14 WeakPolarHBondContact CA-OG 3.33Å; L11-S14 PolarHBondContact O-N 2.97Å; L11-S14 PolarHBondContact O-OG 2.94Å; L11-G15 PolarHBondContact O-N 2.85Å
12	L	42	Very low	39.9	Very low	129 Å²	129	105 Å²	105	68%	0.675	60%	0.603	S	S	*	*	H	α-helix	trans	-65.7	-40	175.4	-75.8	165.1	0	0	0	112.1	T8 G15 A16	T8-L12 PolarHBondContact O-N 3.02Å; L12-G15 PolarHBondContact O-N 2.88Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 2.99Å
13	L	38	Very low	40.5	Very low	97 Å²	97	102.1 Å²	102.1	51%	0.508	57%	0.57	S	S	.	*	H	α-helix	trans	-66.3	-37.7	174.2	-80.2	160.2	0	0	0	111.9	L9 L17	L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 WeakPolarHBondContact O-CD1 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 2.91Å; L9-L13 VanDerWaalsContact O-N 3.12Å; L13-L17 WeakPolarHBondContact O-CB 3.19Å; L13-L17 WeakPolarHBondContact O-CD1 3.11Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 2.8Å
14	S	39.7	Very low	41.5	Very low	60 Å²	60	98.5 Å²	98.5	42%	0.42	56%	0.555	S	S	.	*	H	α-helix	trans	-71.2	-32.5	174.7	45.5	0	0	0	0	113.6	L10 L11 A18	L10-S14 PolarHBondContact O-N 3.33Å; L10-S14 PolarHBondContact O-OG 3.12Å; L11-S14 VanDerWaalsContact CA-OG 3.26Å; L11-S14 WeakPolarHBondContact CA-OG 3.33Å; L11-S14 PolarHBondContact O-N 2.97Å; L11-S14 PolarHBondContact O-OG 2.94Å; S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 2.93Å
15	G	41.3	Very low	43.3	Very low	33 Å²	33	91 Å²	91	34%	0.34	52%	0.523	S	S	.	.	H	α-helix	trans	-68.2	-45	172.6	0	0	0	0	0	112.1	L11 L12 L19	L11-G15 PolarHBondContact O-N 2.85Å; L12-G15 PolarHBondContact O-N 2.88Å; G15-L19 VanDerWaalsContact O-CD1 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.32Å; G15-L19 PolarHBondContact O-N 3.03Å; G15-L19 VanDerWaalsContact O-N 3.09Å
16	A	41.7	Very low	45.7	Very low	58 Å²	58	91.3 Å²	91.3	48%	0.479	52%	0.522	S	S	.	.	H	α-helix	trans	-65.8	-42.6	175.3	0	0	0	0	0	112.3	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 2.99Å; A16-L19 PolarHBondContact O-N 2.65Å; A16-T20 VanDerWaalsContact O-CG2 3.26Å; A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 3.4Å; A16-T20 PolarHBondContact O-OG1 3.03Å; A16-T20 VanDerWaalsContact O-OG1 3.09Å
17	L	36.1	Very low	48.4	Very low	110 Å²	110	89.1 Å²	89.1	58%	0.576	51%	0.505	S	S	*	.	H	α-helix	trans	-67.1	-41.3	177.4	-78.9	161.6	0	0	0	112.1	L13 L19 T20 Q21	L13-L17 WeakPolarHBondContact O-CB 3.19Å; L13-L17 WeakPolarHBondContact O-CD1 3.11Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 2.8Å; L17-L19 PolarHBondContact O-N 2.73Å; L17-T20 WeakPolarHBondContact CA-OG1 3.26Å; L17-T20 PolarHBondContact O-N 3.14Å; L17-T20 PolarHBondContact O-OG1 3.46Å; L17-Q21 PolarHBondContact O-N 2.82Å; L17-Q21 VanDerWaalsContact O-N 3.1Å
18	A	36.5	Very low	50.9	Low	60 Å²	60	79.5 Å²	79.5	50%	0.496	47%	0.472	S	S	.	.	H	α-helix	trans	-65.8	-35.9	177.7	0	0	0	0	0	112.6	S14 T22	S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 2.93Å; A18-T22 PolarHBondContact O-OG1 2.85Å
19	L	38.2	Very low	53.4	Low	74 Å²	74	74.9 Å²	74.9	39%	0.387	44%	0.443	S	S	.	.	H	α-helix	trans	-75	-37.6	173.2	-93	115.7	0	0	0	112.7	G15 A16 L17 Q21 T22 W23	G15-L19 VanDerWaalsContact O-CD1 3.32Å; G15-L19 WeakPolarHBondContact O-CD1 3.32Å; G15-L19 PolarHBondContact O-N 3.03Å; G15-L19 VanDerWaalsContact O-N 3.09Å; A16-L19 PolarHBondContact O-N 2.65Å; L17-L19 PolarHBondContact O-N 2.73Å; L19-Q21 VanDerWaalsContact C-N 3.26Å; L19-Q21 PolarHBondContact O-N 2.85Å; L19-T22 PolarHBondContact O-N 2.96Å; L19-T22 PolarHBondContact O-OG1 3.09Å; L19-T22 VanDerWaalsContact O-OG1 3.11Å; L19-W23 HydrophobicContact CD2-CZ2 4.47Å
20	T	38.8	Very low	56.1	Low	97 Å²	97	72.4 Å²	72.4	60%	0.595	43%	0.427	S	S	*	.	H	α-helix	trans	-68	-25.1	177.2	54.5	0	0	0	0	113.6	A16 L17	A16-T20 VanDerWaalsContact O-CG2 3.26Å; A16-T20 WeakPolarHBondContact O-CG2 3.38Å; A16-T20 PolarHBondContact O-N 3.4Å; A16-T20 PolarHBondContact O-OG1 3.03Å; A16-T20 VanDerWaalsContact O-OG1 3.09Å; L17-T20 WeakPolarHBondContact CA-OG1 3.26Å; L17-T20 PolarHBondContact O-N 3.14Å; L17-T20 PolarHBondContact O-OG1 3.46Å
21	Q	37.4	Very low	59	Low	172 Å²	172	67.3 Å²	67.3	80%	0.804	40%	0.4	S	S	*	.	H	α-helix	trans	-80.1	-17.5	179.6	-120.2	175.4	-0.3	0	0	113.8	L17 L19	L17-Q21 PolarHBondContact O-N 2.82Å; L17-Q21 VanDerWaalsContact O-N 3.1Å; L19-Q21 VanDerWaalsContact C-N 3.26Å; L19-Q21 PolarHBondContact O-N 2.85Å
22	T	44.3	Very low	61.4	Low	91 Å²	91	65.6 Å²	65.6	56%	0.558	39%	0.387	S	S	*	.	H	α-helix	trans	-94.8	-8.6	-176	48.2	0	0	0	0	114.5	A18 L19	A18-T22 PolarHBondContact O-OG1 2.85Å; L19-T22 PolarHBondContact O-N 2.96Å; L19-T22 PolarHBondContact O-OG1 3.09Å; L19-T22 VanDerWaalsContact O-OG1 3.11Å
23	W	48.8	Very low	64.1	Low	44 Å²	44	59.6 Å²	59.6	17%	0.167	36%	0.356	C	S	.	.	H	α-helix	trans	-99.8	-27.9	-168.5	-73.4	49.3	0	0	0	114.1	L19 G25 E236 E288	L19-W23 HydrophobicContact CD2-CZ2 4.47Å; W23-G25 PolarHBondContact O-N 3Å; W23-E236 HydrophobicContact CE3-CG 4.38Å; W23-E236 HydrophobicContact CH2-CB 4.48Å; W23-E236 HydrophobicContact CH2-CG 3.65Å; W23-E236 HydrophobicContact CZ2-CG 3.77Å; W23-E236 HydrophobicContact CZ3-CB 4.4Å; W23-E236 HydrophobicContact CZ3-CG 3.95Å; W23-E236 VanDerWaalsContact CZ3-O 3.3Å; W23-E236 WeakPolarHBondContact CZ3-O 3.4Å; W23-E288 HydrophobicContact CE3-CB 4.25Å
24	A	55	Low	67	Low	66 Å²	66	57.2 Å²	57.2	55%	0.545	35%	0.346	S	S	.	.	S	Bend	trans	-90.6	103.1	-177.2	0	0	0	0	0	111.8	P129	A24-P129 WeakPolarHBondContact O-CG 3.48Å
25	G	75.1	Confident	69.8	Low	22 Å²	22	54.5 Å²	54.5	23%	0.227	33%	0.327	C	S	.	.	S	Bend	trans	96.3	7.8	155.3	0	0	0	0	0	118.4	W23 H27 G128 P129	W23-G25 PolarHBondContact O-N 3Å; G25-H27 PolarHBondContact O-CD2 2.87Å; G25-G128 CarbonylContact O-C 3.58Å; G25-P129 WeakPolarHBondContact O-CA 3.47Å
26	S	90.7	Very high	72.5	Confident	61 Å²	61	55.2 Å²	55.2	43%	0.427	32%	0.324	S	S	.	.			trans	-79.8	142	164.7	59.5	0	0	0	0	110.4	V127	S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.47Å
27	H	95.3	Very high	75.2	Confident	32 Å²	32	53.2 Å²	53.2	15%	0.148	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	157.2	178.6	-66.4	-79.1	0	0	0	110.8	G25 D53 D126 V127 L192 L196	G25-H27 PolarHBondContact O-CD2 2.87Å; H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.25Å; H27-D53 IonicContact CE1-OD2 3.51Å; H27-D53 IonicContact CG-OD2 3.93Å; H27-D53 IonicContact ND1-OD1 3.37Å; H27-D53 IonicContact ND1-OD2 3.52Å; H27-D53 PolarHBondContact ND1-OD2 2.91Å; H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.47Å; H27-V127 HydrophobicContact CB-CG2 3.98Å; H27-V127 PolarHBondContact N-O 2.92Å; H27-V127 PolarHBondContact O-N 3.29Å; H27-L192 HydrophobicContact CB-CD1 4.39Å; H27-L192 HydrophobicContact CB-CD2 4.47Å; H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 4.05Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.45Å
28	S	97.3	Very high	77.9	Confident	22 Å²	22	51.6 Å²	51.6	15%	0.154	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.5	179.8	67	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.51Å; S28-V52 WeakPolarHBondContact O-CA 3.28Å; S28-D53 PolarHBondContact N-OD1 3.5Å; S28-D53 PolarHBondContact O-N 2.88Å; S28-D53 PolarHBondContact OG-OD1 3.48Å; S28-C125 WeakPolarHBondContact CA-O 3.35Å; S28-D126 WeakPolarHBondContact CB-OD1 3.15Å
29	M	98.4	Very high	80.4	Confident	3 Å²	3	51 Å²	51	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.6	166.8	-174.8	171.1	62.6	0	0	108.7	Y31 Y51 V52 F57 G124 C125 C188 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 4.05Å; M29-Y31 HydrophobicContact SD-CE2 3.99Å; M29-Y51 CarbonylContact C-O 3.54Å; M29-Y51 WeakPolarHBondContact CA-O 3.24Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; M29-F57 HydrophobicContact CG-CE1 4.31Å; M29-F57 HydrophobicContact CG-CZ 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.12Å; M29-G124 CarbonylContact O-C 3.51Å; M29-G124 WeakPolarHBondContact O-CA 3.37Å; M29-C125 PolarHBondContact N-O 3Å; M29-C125 PolarHBondContact O-N 3.2Å; M29-C188 HydrophobicContact CE-CB 4.15Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 VanDerWaalsContact CE-SG 3.51Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.15Å; M29-L192 HydrophobicContact CB-CG 4.3Å; M29-L192 HydrophobicContact CE-CB 4.45Å; M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.57Å; M29-Y195 VanDerWaalsContact SD-CE2 3.57Å
30	R	98.5	Very high	82.5	Confident	50 Å²	50	51.9 Å²	51.9	19%	0.189	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.9	-175.8	-55.8	-62.5	-179.5	72	2.3	110.7	F32 G50 Y51 D126	R30-F32 HydrophobicContact CB-CE2 3.68Å; R30-F32 HydrophobicContact CB-CZ 4.08Å; R30-G50 CarbonylContact O-C 3.53Å; R30-G50 WeakPolarHBondContact O-CA 3.46Å; R30-Y51 PolarHBondContact N-O 2.84Å; R30-Y51 PolarHBondContact O-N 3.22Å; R30-D126 IonicContact CZ-OD1 2.7Å; R30-D126 IonicContact NE-OD1 3.71Å; R30-D126 PolarHBondContact NE-OD1 2.88Å; R30-D126 VanDerWaalsContact NE-OD1 3.13Å; R30-D126 IonicContact NH2-OD1 3.09Å; R30-D126 PolarHBondContact NH2-OD1 2.82Å; R30-D126 IonicContact NH2-OD2 3.3Å; R30-D126 PolarHBondContact NH2-OD2 3.14Å
31	Y	98.6	Very high	84.7	Confident	9 Å²	9	51.9 Å²	51.9	4%	0.035	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.8	170.1	-71.1	-92.9	0	0	0	109.6	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 4.05Å; M29-Y31 HydrophobicContact SD-CE2 3.99Å; Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.04Å; Y31-F57 HydrophobicContact CE1-CZ 4.07Å; Y31-F57 HydrophobicContact CE2-CZ 4.36Å; Y31-F57 AromaticContact CZ-CZ 3.68Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.42Å; Y31-V58 HydrophobicContact CE1-CG2 3.87Å; Y31-M122 WeakPolarHBondContact O-CA 3.35Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.4Å; Y31-Y123 HydrophobicContact CD2-CD2 4.43Å; Y31-Y123 AromaticContact CD2-CE2 3.77Å; Y31-Y123 HydrophobicContact CD2-CE2 3.77Å; Y31-Y123 HydrophobicContact CG-CE1 4.45Å; Y31-Y123 AromaticContact CG-CE2 3.97Å; Y31-Y123 HydrophobicContact CG-CE2 3.97Å; Y31-Y123 AromaticContact CG-CZ 3.79Å; Y31-Y123 PolarHBondContact N-O 2.96Å; Y31-Y123 PolarHBondContact O-N 3.3Å
32	F	98.8	Very high	87	Confident	88 Å²	88	46.4 Å²	46.4	39%	0.386	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.1	174.4	-57.3	-96.4	0	0	0	108.6	R30 A48 V49 Y51 I121 M122	R30-F32 HydrophobicContact CB-CE2 3.68Å; R30-F32 HydrophobicContact CB-CZ 4.08Å; F32-A48 CarbonylContact O-C 3.54Å; F32-A48 VanDerWaalsContact O-CA 3.25Å; F32-A48 WeakPolarHBondContact O-CA 3.37Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 2.98Å; F32-V49 PolarHBondContact O-N 3.49Å; F32-Y51 HydrophobicContact CD2-CD2 4.28Å; F32-Y51 HydrophobicContact CE2-CD2 4.36Å; F32-I121 CarbonylContact C-O 3.6Å; F32-I121 VanDerWaalsContact CA-O 3.29Å; F32-I121 WeakPolarHBondContact CA-O 3.27Å; F32-M122 HydrophobicContact CD1-CB 3.87Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 3.94Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CZ-CG 3.89Å
33	S	98.6	Very high	89.3	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.3	168.5	59.7	0	0	0	0	111.5	I47 H94 Q120 I121	S33-I47 CarbonylContact C-O 3.54Å; S33-I47 WeakPolarHBondContact CA-O 3.31Å; S33-H94 PolarHBondContact OG-CE1 3.31Å; S33-Q120 CarbonylContact O-C 3.55Å; S33-Q120 WeakPolarHBondContact O-CA 3.09Å; S33-I121 PolarHBondContact N-O 2.96Å; S33-I121 PolarHBondContact O-N 2.85Å
34	T	98.8	Very high	91.5	Very high	47 Å²	47	45.8 Å²	45.8	29%	0.288	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.1	177.9	-55.2	0	0	0	0	109	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.99Å; T34-F46 WeakPolarHBondContact O-CA 3.35Å; T34-I47 PolarHBondContact N-O 3.34Å; T34-I47 PolarHBondContact O-N 3.43Å; T34-T118 HydrophobicContact CG2-CG2 3.75Å; T34-I119 CarbonylContact C-O 3.55Å; T34-I119 WeakPolarHBondContact CA-O 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.01Å
35	S	98.5	Very high	93.5	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.2	178.8	-65.2	0	0	0	0	109.5	R45 F46 D98 T118 I119	S35-R45 CarbonylContact C-O 3.57Å; S35-R45 VanDerWaalsContact CA-O 3.29Å; S35-R45 WeakPolarHBondContact CA-O 3.41Å; S35-F46 WeakPolarHBondContact OG-CD2 3.39Å; S35-D98 WeakPolarHBondContact OG-CB 3.36Å; S35-D98 PolarHBondContact OG-OD2 2.87Å; S35-T118 CarbonylContact O-C 3.55Å; S35-T118 VanDerWaalsContact O-CA 3.29Å; S35-T118 WeakPolarHBondContact O-CA 3.35Å; S35-I119 PolarHBondContact N-O 3.38Å; S35-I119 PolarHBondContact O-N 3.46Å
36	V	98.1	Very high	94.6	Very high	47 Å²	47	45.3 Å²	45.3	29%	0.285	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.7	-176.5	-174	0	0	0	0	109.4	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.99Å; V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.48Å; V36-P44 WeakPolarHBondContact O-CB 3.26Å; V36-R45 PolarHBondContact N-O 3.44Å; V36-R45 PolarHBondContact O-N 3.29Å; V36-H117 WeakPolarHBondContact CA-O 3.31Å; V36-T118 HydrophobicContact CG2-CG2 4.16Å
37	S	96.8	Very high	95	Very high	16 Å²	16	44.4 Å²	44.4	11%	0.112	27%	0.266	C	S	.	.			trans	-69	146.7	174.6	74.4	0	0	0	0	111.1	S116 H117	S37-S116 PolarHBondContact O-OG 2.92Å; S37-S116 WeakPolarHBondContact OG-CA 3.5Å; S37-H117 PolarHBondContact N-O 3.33Å; S37-H117 PolarHBondContact OG-N 3.19Å; S37-H117 PolarHBondContact OG-O 3.06Å
38	R	94.4	Very high	95.2	Very high	76 Å²	76	43 Å²	43	29%	0.287	26%	0.261	S	S	.	.			trans	-130.9	73.6	-175.6	-69.1	174.1	171.1	173.8	-13	111	G40 S41 R45 D63	R38-G40 PolarHBondContact O-N 2.99Å; R38-S41 PolarHBondContact O-N 3.02Å; R38-R45 VanDerWaalsContact CZ-CB 3.41Å; R38-D63 IonicContact CZ-OD2 2.67Å; R38-D63 VanDerWaalsContact CZ-OD2 3.24Å; R38-D63 IonicContact NH1-OD1 3.1Å; R38-D63 PolarHBondContact NH1-OD1 2.82Å; R38-D63 VanDerWaalsContact NH1-OD1 3.1Å; R38-D63 IonicContact NH1-OD2 2.81Å; R38-D63 PolarHBondContact NH1-OD2 3.35Å; R38-D63 IonicContact NH2-OD2 2.98Å; R38-D63 PolarHBondContact NH2-OD2 3.19Å
39	P	87.3	Confident	95.2	Very high	49 Å²	49	43.2 Å²	43.2	32%	0.318	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	127.6	178.3	-25	33.9	0	0	0	111.2	S41 E113 G115	P39-S41 PolarHBondContact O-N 2.86Å; P39-S41 VanDerWaalsContact O-N 3.1Å; P39-E113 WeakPolarHBondContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CG-O 3.46Å; P39-G115 WeakPolarHBondContact CG-O 3.15Å
40	G	83.4	Confident	95.2	Very high	91 Å²	91	43.1 Å²	43.1	94%	0.938	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	-2.1	179.8	0	0	0	0	0	116.7	R38	R38-G40 PolarHBondContact O-N 2.99Å
41	S	85.3	Confident	95.2	Very high	97 Å²	97	44.1 Å²	44.1	68%	0.678	27%	0.265	S	S	*	.	S	Bend	trans	-122.9	22.1	-176.1	-57	0	0	0	0	113.7	R38 P39	R38-S41 PolarHBondContact O-N 3.02Å; P39-S41 PolarHBondContact O-N 2.86Å; P39-S41 VanDerWaalsContact O-N 3.1Å
42	G	85.6	Confident	95.2	Very high	58 Å²	58	43.7 Å²	43.7	60%	0.598	26%	0.263	S	S	*	.	S	Bend	trans	101.6	-155.3	174.4	0	0	0	0	0	114.3
43	E	91.8	Very high	95	Very high	97 Å²	97	41 Å²	41	45%	0.453	25%	0.253	S	S	.	.	S	Bend	trans	-69.8	152.1	-178.8	-65.9	-62.7	167.8	0	0	112.3	R45 R99	E43-R45 PolarHBondContact O-N 2.97Å; E43-R99 IonicContact OE1-CZ 3.67Å; E43-R99 IonicContact OE1-NE 3.95Å; E43-R99 IonicContact OE1-NH1 3.63Å; E43-R99 PolarHBondContact OE1-NH1 3.46Å; E43-R99 IonicContact OE1-NH2 2.84Å; E43-R99 PolarHBondContact OE1-NH2 3.45Å; E43-R99 WeakPolarHBondContact OE2-CD 3.5Å; E43-R99 IonicContact OE2-CZ 2.71Å; E43-R99 IonicContact OE2-NE 3.55Å; E43-R99 PolarHBondContact OE2-NE 3.28Å; E43-R99 IonicContact OE2-NH1 3.26Å; E43-R99 PolarHBondContact OE2-NH1 2.92Å; E43-R99 IonicContact OE2-NH2 3.31Å; E43-R99 PolarHBondContact OE2-NH2 3.2Å; E43-R99 VanDerWaalsContact OE2-NH2 3.07Å
44	P	95.3	Very high	94.8	Very high	25 Å²	25	44 Å²	44	16%	0.162	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-55.2	136.8	171.1	-24	34.3	0	0	0	111.5	V36 R99 L102	V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.48Å; V36-P44 WeakPolarHBondContact O-CB 3.26Å; P44-R99 HydrophobicContact CG-CB 4.44Å; P44-R99 HydrophobicContact CG-CG 4.19Å; P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.73Å
45	R	97.4	Very high	94.6	Very high	76 Å²	76	43 Å²	43	29%	0.287	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.2	170.8	-179.3	178.9	-171.1	178.2	3.8	109.6	S35 V36 R38 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.57Å; S35-R45 VanDerWaalsContact CA-O 3.29Å; S35-R45 WeakPolarHBondContact CA-O 3.41Å; V36-R45 PolarHBondContact N-O 3.44Å; V36-R45 PolarHBondContact O-N 3.29Å; R38-R45 VanDerWaalsContact CZ-CB 3.41Å; E43-R45 PolarHBondContact O-N 2.97Å; R45-I47 HydrophobicContact CG-CG1 4.06Å; R45-D61 IonicContact CZ-OD1 3.24Å; R45-D61 IonicContact CZ-OD2 2.77Å; R45-D61 IonicContact NE-OD1 2.73Å; R45-D61 PolarHBondContact NE-OD1 3.41Å; R45-D61 IonicContact NE-OD2 2.96Å; R45-D61 IonicContact NH2-OD1 2.85Å; R45-D61 IonicContact NH2-OD2 3.71Å; R45-D61 PolarHBondContact NH2-OD2 2.68Å; R45-S62 WeakPolarHBondContact CA-OG 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 IonicContact NE-OD2 3.07Å
46	F	98.4	Very high	94.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.5	173.6	178.6	-86.7	0	0	0	109.4	T34 S35 A48 F60 S62 M91 H94 S95 D98	T34-F46 WeakPolarHBondContact O-CA 3.35Å; S35-F46 WeakPolarHBondContact OG-CD2 3.39Å; F46-A48 HydrophobicContact CE1-CB 3.65Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CD1-CE1 3.88Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.39Å; F46-S62 PolarHBondContact N-OG 2.88Å; F46-S62 PolarHBondContact O-N 3.3Å; F46-S62 PolarHBondContact O-OG 2.91Å; F46-M91 HydrophobicContact CE1-CB 4.39Å; F46-M91 HydrophobicContact CE1-SD 4.39Å; F46-M91 HydrophobicContact CZ-SD 4.46Å; F46-H94 HydrophobicContact CE2-CB 4.29Å; F46-H94 AromaticContact CE2-CG 3.92Å; F46-H94 HydrophobicContact CZ-CB 4Å; F46-H94 AromaticContact CZ-CG 3.82Å; F46-H94 AromaticContact CZ-ND1 3.75Å; F46-S95 WeakPolarHBondContact CB-OG 3.38Å; F46-D98 HydrophobicContact CD2-CB 4.42Å
47	I	98.6	Very high	94.5	Very high	41 Å²	41	43 Å²	43	21%	0.21	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.1	171.9	-55.1	175.6	0	0	0	107.4	S33 T34 R45 V49 F60	S33-I47 CarbonylContact C-O 3.54Å; S33-I47 WeakPolarHBondContact CA-O 3.31Å; T34-I47 PolarHBondContact N-O 3.34Å; T34-I47 PolarHBondContact O-N 3.43Å; R45-I47 HydrophobicContact CG-CG1 4.06Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; I47-F60 WeakPolarHBondContact CA-O 3.44Å
48	A	98.6	Very high	94.6	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.033	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	143.4	169.1	0	0	0	0	0	110.8	F32 F46 R59 F60 M91	F32-A48 CarbonylContact O-C 3.54Å; F32-A48 VanDerWaalsContact O-CA 3.25Å; F32-A48 WeakPolarHBondContact O-CA 3.37Å; F46-A48 HydrophobicContact CE1-CB 3.65Å; F46-A48 HydrophobicContact CZ-CB 3.95Å; A48-R59 CarbonylContact O-C 3.53Å; A48-R59 VanDerWaalsContact O-CA 3.32Å; A48-R59 WeakPolarHBondContact O-CA 3.38Å; A48-F60 HydrophobicContact CB-CB 4.36Å; A48-F60 PolarHBondContact N-O 3.33Å; A48-F60 PolarHBondContact O-N 3.1Å; A48-M91 HydrophobicContact CB-SD 3.7Å
49	V	98.8	Very high	94.8	Very high	26 Å²	26	42 Å²	42	16%	0.158	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.1	177.1	-63.4	0	0	0	0	109.6	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.04Å; F32-V49 HydrophobicContact CB-CG2 3.88Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 2.98Å; F32-V49 PolarHBondContact O-N 3.49Å; I47-V49 HydrophobicContact CG2-CG1 4.46Å; V49-Y51 HydrophobicContact CB-CE2 4.06Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.79Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; V49-V58 WeakPolarHBondContact CA-O 3.35Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.22Å
50	G	98.5	Very high	95.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.1	175.8	0	0	0	0	0	110.6	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.53Å; R30-G50 WeakPolarHBondContact O-CA 3.46Å; G50-Q56 WeakPolarHBondContact O-CA 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 2.79Å; G50-V58 PolarHBondContact N-O 3.09Å; G50-V58 PolarHBondContact O-N 3.37Å
51	Y	98.4	Very high	96.1	Very high	71 Å²	71	36.5 Å²	36.5	28%	0.278	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.1	177.7	-74.4	-102.4	0	0	0	110.2	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.54Å; M29-Y51 WeakPolarHBondContact CA-O 3.24Å; R30-Y51 PolarHBondContact N-O 2.84Å; R30-Y51 PolarHBondContact O-N 3.22Å; F32-Y51 HydrophobicContact CD2-CD2 4.28Å; F32-Y51 HydrophobicContact CE2-CD2 4.36Å; V49-Y51 HydrophobicContact CB-CE2 4.06Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.79Å; Y51-T55 WeakPolarHBondContact CA-O 3.31Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.42Å; Y51-Q56 HydrophobicContact CE1-CB 3.51Å; Y51-Q56 HydrophobicContact CE1-CG 4.23Å; Y51-Q56 HydrophobicContact CE2-CB 4.14Å; Y51-Q56 HydrophobicContact CE2-CG 3.93Å; Y51-Q56 HydrophobicContact CG-CB 4.49Å
52	V	97.9	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.8	156.4	176.4	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.51Å; S28-V52 WeakPolarHBondContact O-CA 3.28Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; V52-D54 PolarHBondContact O-N 3.38Å; V52-T55 PolarHBondContact N-O 2.91Å; V52-T55 WeakPolarHBondContact O-CB 3.44Å; V52-T55 PolarHBondContact O-N 3.11Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; V52-L192 HydrophobicContact CG1-CD1 3.57Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V52-Y195 HydrophobicContact CG2-CD2 4.04Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.5Å
53	D	95.1	Very high	97.1	Very high	33 Å²	33	33.8 Å²	33.8	18%	0.176	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	-122.5	-167.2	-54.4	-41.4	0	0	0	110.5	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.27Å; H27-D53 WeakPolarHBondContact CA-OD1 3.25Å; H27-D53 IonicContact CE1-OD2 3.51Å; H27-D53 IonicContact CG-OD2 3.93Å; H27-D53 IonicContact ND1-OD1 3.37Å; H27-D53 IonicContact ND1-OD2 3.52Å; H27-D53 PolarHBondContact ND1-OD2 2.91Å; S28-D53 PolarHBondContact N-OD1 3.5Å; S28-D53 PolarHBondContact O-N 2.88Å; S28-D53 PolarHBondContact OG-OD1 3.48Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	93.9	Very high	97.4	Very high	65 Å²	65	30.5 Å²	30.5	35%	0.348	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	9.9	-179.8	-55.4	-56.8	0	0	0	113.4	V52 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.38Å; D54-P234 WeakPolarHBondContact OD2-CB 3.23Å; D54-A235 HydrophobicContact CB-CB 4.16Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.45Å; D54-A235 PolarHBondContact OD2-N 3.23Å; D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.57Å
55	T	95.3	Very high	97.4	Very high	25 Å²	25	34.9 Å²	34.9	15%	0.153	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.2	-173.6	-54.1	0	0	0	0	112	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.31Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; V52-T55 PolarHBondContact N-O 2.91Å; V52-T55 WeakPolarHBondContact O-CB 3.44Å; V52-T55 PolarHBondContact O-N 3.11Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 2.8Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.27Å; T55-Y233 PolarHBondContact OG1-OH 3.06Å
56	Q	96.9	Very high	97.2	Very high	52 Å²	52	33.9 Å²	33.9	24%	0.243	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	129.6	174.9	-166.5	179.7	1.9	0	0	110.4	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.25Å; G50-Q56 WeakPolarHBondContact O-CA 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.29Å; Y51-Q56 HydrophobicContact CD2-CG 4.42Å; Y51-Q56 HydrophobicContact CE1-CB 3.51Å; Y51-Q56 HydrophobicContact CE1-CG 4.23Å; Y51-Q56 HydrophobicContact CE2-CB 4.14Å; Y51-Q56 HydrophobicContact CE2-CG 3.93Å; Y51-Q56 HydrophobicContact CG-CB 4.49Å; Q56-V58 PolarHBondContact NE2-O 2.88Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.33Å
57	F	97.8	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-23	-179.8	75.6	-82.2	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.31Å; M29-F57 HydrophobicContact CG-CZ 4.45Å; M29-F57 HydrophobicContact SD-CZ 4.12Å; Y31-F57 HydrophobicContact CE1-CZ 4.07Å; Y31-F57 HydrophobicContact CE2-CZ 4.36Å; Y31-F57 AromaticContact CZ-CZ 3.68Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.42Å; G50-F57 WeakPolarHBondContact O-CD1 3.49Å; G50-F57 PolarHBondContact O-N 2.79Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; T55-F57 PolarHBondContact O-N 2.8Å; F57-R72 PolarHBondContact O-N 2.9Å; F57-A73 HydrophobicContact CB-CB 4.2Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 HydrophobicContact CD1-CH2 4.13Å; F57-W75 AromaticContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CZ3 4.11Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.2Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; F57-I76 HydrophobicContact CD2-CB 4.42Å; F57-I76 HydrophobicContact CD2-CD1 3.93Å; F57-I76 HydrophobicContact CD2-CG1 3.98Å; F57-I76 HydrophobicContact CE2-CD1 4.28Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.16Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.1Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CZ-CD2 4.22Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å
58	V	98.4	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.8	176.8	-72.5	0	0	0	0	112.9	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.87Å; V49-V58 WeakPolarHBondContact CA-O 3.35Å; G50-V58 PolarHBondContact N-O 3.09Å; G50-V58 PolarHBondContact O-N 3.37Å; Q56-V58 PolarHBondContact NE2-O 2.88Å; V58-M69 HydrophobicContact CB-CE 4.47Å; V58-M69 HydrophobicContact CB-CG 4.12Å; V58-M69 HydrophobicContact CB-SD 3.72Å; V58-M69 HydrophobicContact CG1-CG 4.14Å; V58-M69 HydrophobicContact CG1-SD 4.38Å; V58-M69 HydrophobicContact CG2-CE 4.32Å; V58-M69 HydrophobicContact CG2-SD 4.14Å; V58-E70 WeakPolarHBondContact CA-O 3.25Å; V58-I76 HydrophobicContact CG1-CG1 4.41Å; V58-W84 HydrophobicContact CG1-CH2 4.12Å; V58-W84 HydrophobicContact CG1-CZ3 3.92Å
59	R	98.4	Very high	96.9	Very high	71 Å²	71	41.8 Å²	41.8	27%	0.268	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	142.7	172.3	179.1	173	169.7	108.6	4.9	111.3	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.53Å; A48-R59 VanDerWaalsContact O-CA 3.32Å; A48-R59 WeakPolarHBondContact O-CA 3.38Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.22Å; R59-D61 IonicContact CZ-OD2 3.89Å; R59-D61 IonicContact NH2-OD2 2.75Å; R59-D61 PolarHBondContact NH2-OD2 2.83Å; R59-E70 PolarHBondContact N-O 2.93Å; R59-E70 PolarHBondContact O-N 2.91Å; R59-R72 HydrophobicContact CB-CG 3.94Å
60	F	98.7	Very high	96.9	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.8	166.4	-178.6	-81.2	0	0	0	109.5	F46 I47 A48 Q67 M69 M91 K92	F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.88Å; F46-F60 HydrophobicContact CD1-CE1 3.88Å; F46-F60 AromaticContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 3.94Å; F46-F60 HydrophobicContact CE1-CE1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.44Å; A48-F60 HydrophobicContact CB-CB 4.36Å; A48-F60 PolarHBondContact N-O 3.33Å; A48-F60 PolarHBondContact O-N 3.1Å; F60-Q67 WeakPolarHBondContact CE2-O 3.31Å; F60-Q67 HydrophobicContact CZ-CB 4.45Å; F60-M69 HydrophobicContact CB-SD 3.98Å; F60-M91 HydrophobicContact CB-CB 4.18Å; F60-M91 HydrophobicContact CB-CG 4.09Å; F60-M91 HydrophobicContact CD1-CB 4.16Å; F60-M91 HydrophobicContact CD2-CB 3.69Å; F60-M91 HydrophobicContact CD2-CG 4.33Å; F60-M91 HydrophobicContact CE2-CB 4.07Å; F60-M91 HydrophobicContact CG-CB 3.74Å; F60-M91 HydrophobicContact CG-CG 4.21Å; F60-M91 HydrophobicContact CZ-CB 4.47Å; F60-K92 HydrophobicContact CE2-CG 4.11Å; F60-K92 HydrophobicContact CZ-CG 3.93Å
61	D	98.4	Very high	96.9	Very high	20 Å²	20	45.4 Å²	45.4	11%	0.107	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	121.7	175	-162.3	-29	0	0	0	109.3	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.24Å; R45-D61 IonicContact CZ-OD2 2.77Å; R45-D61 IonicContact NE-OD1 2.73Å; R45-D61 PolarHBondContact NE-OD1 3.41Å; R45-D61 IonicContact NE-OD2 2.96Å; R45-D61 IonicContact NH2-OD1 2.85Å; R45-D61 IonicContact NH2-OD2 3.71Å; R45-D61 PolarHBondContact NH2-OD2 2.68Å; R59-D61 IonicContact CZ-OD2 3.89Å; R59-D61 IonicContact NH2-OD2 2.75Å; R59-D61 PolarHBondContact NH2-OD2 2.83Å; D61-D63 PolarHBondContact O-N 3.29Å; D61-D63 PolarHBondContact OD1-N 3.05Å; D61-A64 HydrophobicContact CB-CB 4.12Å; D61-A64 WeakPolarHBondContact O-CB 3.49Å; D61-A64 PolarHBondContact O-N 3.15Å
62	S	97.3	Very high	96.8	Very high	16 Å²	16	46.9 Å²	46.9	11%	0.112	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.2	-179.7	63.7	0	0	0	0	113.2	R45 F46 A64 Q67	R45-S62 WeakPolarHBondContact CA-OG 3.28Å; F46-S62 PolarHBondContact N-OG 2.88Å; F46-S62 PolarHBondContact O-N 3.3Å; F46-S62 PolarHBondContact O-OG 2.91Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-Q67 PolarHBondContact O-NE2 3.32Å
63	D	96.2	Very high	96.7	Very high	81 Å²	81	47.1 Å²	47.1	43%	0.433	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.6	179	-71.8	2	0	0	0	112	R38 R45 D61	R38-D63 IonicContact CZ-OD2 2.67Å; R38-D63 VanDerWaalsContact CZ-OD2 3.24Å; R38-D63 IonicContact NH1-OD1 3.1Å; R38-D63 PolarHBondContact NH1-OD1 2.82Å; R38-D63 VanDerWaalsContact NH1-OD1 3.1Å; R38-D63 IonicContact NH1-OD2 2.81Å; R38-D63 PolarHBondContact NH1-OD2 3.35Å; R38-D63 IonicContact NH2-OD2 2.98Å; R38-D63 PolarHBondContact NH2-OD2 3.19Å; R45-D63 WeakPolarHBondContact CD-OD2 3.49Å; R45-D63 IonicContact NE-OD2 3.07Å; D61-D63 PolarHBondContact O-N 3.29Å; D61-D63 PolarHBondContact OD1-N 3.05Å
64	A	96.4	Very high	96.8	Very high	29 Å²	29	50.4 Å²	50.4	24%	0.24	28%	0.28	C	S	.	.	S	Bend	trans	-70	142.1	176.8	0	0	0	0	0	111	D61 S62 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.12Å; D61-A64 WeakPolarHBondContact O-CB 3.49Å; D61-A64 PolarHBondContact O-N 3.15Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 3.19Å; A64-Q67 WeakPolarHBondContact O-CG 3.41Å; A64-Q67 PolarHBondContact O-N 2.68Å; A64-Q67 VanDerWaalsContact O-N 3.1Å
65	A	95.2	Very high	96.9	Very high	117 Å²	117	48 Å²	48	97%	0.967	27%	0.266	S	S	*	.	S	Bend	trans	-60.4	-32.8	-179.3	0	0	0	0	0	113.4
66	S	93	Very high	97	Very high	54 Å²	54	46.8 Å²	46.8	38%	0.378	26%	0.258	S	S	.	.	S	Bend	trans	-72.7	-34.8	177.8	60.8	0	0	0	0	112.1	A64 K68 E70	A64-S66 PolarHBondContact O-N 3.19Å; S66-K68 WeakPolarHBondContact O-CG 3.48Å; S66-K68 PolarHBondContact O-N 2.82Å; S66-E70 PolarHBondContact OG-OE1 3.3Å; S66-E70 VanDerWaalsContact OG-OE1 3.12Å
67	Q	95.6	Very high	96.9	Very high	88 Å²	88	50.2 Å²	50.2	41%	0.411	27%	0.274	S	S	.	.			trans	42.1	47.8	-167.4	-58.2	-173.9	-18.1	0	0	112.1	F60 S62 A64 K92	F60-Q67 WeakPolarHBondContact CE2-O 3.31Å; F60-Q67 HydrophobicContact CZ-CB 4.45Å; S62-Q67 PolarHBondContact O-NE2 3.32Å; A64-Q67 WeakPolarHBondContact O-CG 3.41Å; A64-Q67 PolarHBondContact O-N 2.68Å; A64-Q67 VanDerWaalsContact O-N 3.1Å; Q67-K92 WeakPolarHBondContact O-CE 3.35Å; Q67-K92 PolarHBondContact O-NZ 3.18Å
68	K	97.7	Very high	96.7	Very high	116 Å²	116	56 Å²	56	50%	0.504	30%	0.301	S	S	.	.	S	Bend	trans	-117.6	157.5	179.2	-74.7	-178.4	-179.7	-167.9	0	110.6	S66 E70 T88	S66-K68 WeakPolarHBondContact O-CG 3.48Å; S66-K68 PolarHBondContact O-N 2.82Å; K68-E70 PolarHBondContact O-N 3.05Å; K68-T88 HydrophobicContact CB-CG2 4.45Å; K68-T88 HydrophobicContact CG-CG2 4.18Å
69	M	98.1	Very high	96.7	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.049	30%	0.304	C	S	.	.			trans	-68.7	127.6	163.8	-172	68.3	93.6	0	0	107.9	V58 F60 W84 E87 T88 M91	V58-M69 HydrophobicContact CB-CE 4.47Å; V58-M69 HydrophobicContact CB-CG 4.12Å; V58-M69 HydrophobicContact CB-SD 3.72Å; V58-M69 HydrophobicContact CG1-CG 4.14Å; V58-M69 HydrophobicContact CG1-SD 4.38Å; V58-M69 HydrophobicContact CG2-CE 4.32Å; V58-M69 HydrophobicContact CG2-SD 4.14Å; F60-M69 HydrophobicContact CB-SD 3.98Å; M69-W84 HydrophobicContact CB-CE3 4.25Å; M69-W84 HydrophobicContact CG-CE3 4.15Å; M69-W84 HydrophobicContact CG-CZ3 3.96Å; M69-E87 HydrophobicContact CB-CB 4.06Å; M69-E87 HydrophobicContact CE-CB 4.12Å; M69-E87 HydrophobicContact CG-CB 4.03Å; M69-T88 PolarHBondContact N-OG1 2.95Å; M69-M91 HydrophobicContact CE-CE 4.41Å; M69-M91 HydrophobicContact CE-CG 3.29Å; M69-M91 HydrophobicContact CE-SD 4Å; M69-M91 HydrophobicContact SD-CG 4.36Å
70	E	98	Very high	96.6	Very high	59 Å²	59	54.9 Å²	54.9	28%	0.276	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.9	-176	-61.5	179.1	170.9	0	0	110.9	V58 R59 S66 K68 R72	V58-E70 WeakPolarHBondContact CA-O 3.25Å; R59-E70 PolarHBondContact N-O 2.93Å; R59-E70 PolarHBondContact O-N 2.91Å; S66-E70 PolarHBondContact OG-OE1 3.3Å; S66-E70 VanDerWaalsContact OG-OE1 3.12Å; K68-E70 PolarHBondContact O-N 3.05Å; E70-R72 IonicContact OE2-CZ 3.42Å; E70-R72 IonicContact OE2-NH1 3.66Å; E70-R72 PolarHBondContact OE2-NH1 3.27Å; E70-R72 VanDerWaalsContact OE2-NH1 3.09Å; E70-R72 IonicContact OE2-NH2 3.94Å; E70-R72 PolarHBondContact OE2-NH2 2.91Å
71	P	97.9	Very high	96.5	Very high	43 Å²	43	59.4 Å²	59.4	28%	0.279	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	148.5	174.3	28.6	-34.2	0	0	0	111.2	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.68Å; P71-E77 HydrophobicContact CB-CG 3.74Å; P71-E77 HydrophobicContact CG-CG 3.98Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.98Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.25Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å
72	R	97.1	Very high	96.4	Very high	102 Å²	102	66.4 Å²	66.4	39%	0.385	37%	0.37	S	S	.	.			trans	-129.9	0.5	173.3	-64.7	-64	-178.5	-96.2	3.5	113.3	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; F57-R72 PolarHBondContact O-N 2.9Å; R59-R72 HydrophobicContact CB-CG 3.94Å; E70-R72 IonicContact OE2-CZ 3.42Å; E70-R72 IonicContact OE2-NH1 3.66Å; E70-R72 PolarHBondContact OE2-NH1 3.27Å; E70-R72 VanDerWaalsContact OE2-NH1 3.09Å; E70-R72 IonicContact OE2-NH2 3.94Å; E70-R72 PolarHBondContact OE2-NH2 2.91Å
73	A	95.9	Very high	96.4	Very high	4 Å²	4	67.1 Å²	67.1	3%	0.033	37%	0.371	C	S	.	.	S	Bend	trans	-138.9	144.1	173.9	0	0	0	0	0	110.9	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.2Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 3.17Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 3.4Å
74	P	96	Very high	96.5	Very high	103 Å²	103	65.1 Å²	65.1	67%	0.669	36%	0.357	S	S	*	.	H	α-helix	trans	-58.7	-37.6	-177.5	-26.5	34.9	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 3.17Å; P74-E77 WeakPolarHBondContact O-CB 3.32Å; P74-E77 PolarHBondContact O-N 3.19Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75	W	95.7	Very high	96.6	Very high	14 Å²	14	68 Å²	68	5%	0.053	37%	0.369	C	S	.	.	H	α-helix	trans	-70.1	-13.9	-176.3	53.5	-105.9	0	0	0	114.3	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CG2-CH2 3.9Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.38Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 HydrophobicContact CD1-CH2 4.13Å; F57-W75 AromaticContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CH2 3.87Å; F57-W75 HydrophobicContact CD2-CZ3 4.11Å; F57-W75 AromaticContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CH2 3.48Å; F57-W75 VanDerWaalsContact CG-CH2 3.48Å; F57-W75 HydrophobicContact CG-CZ2 4.2Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.13Å; A73-W75 HydrophobicContact CB-CG 4.35Å; A73-W75 HydrophobicContact CB-CZ2 3.94Å; A73-W75 PolarHBondContact O-N 3.17Å; W75-Q78 WeakPolarHBondContact O-CG 3.49Å; W75-Q78 PolarHBondContact O-NE2 2.69Å; W75-Y195 HydrophobicContact CH2-CG 4.37Å; W75-Y195 HydrophobicContact CZ3-CD1 4.05Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.75Å; W75-Y195 HydrophobicContact CZ3-CG 3.75Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.24Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.01Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å
76	I	97.4	Very high	96.7	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-90.4	-19.7	172.9	-161.7	72.5	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.42Å; F57-I76 HydrophobicContact CD2-CD1 3.93Å; F57-I76 HydrophobicContact CD2-CG1 3.98Å; F57-I76 HydrophobicContact CE2-CD1 4.28Å; F57-I76 VanDerWaalsContact O-CG2 3.27Å; F57-I76 WeakPolarHBondContact O-CG2 3.16Å; V58-I76 HydrophobicContact CG1-CG1 4.41Å; P71-I76 HydrophobicContact CB-CG2 3.68Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 3.4Å; P74-I76 PolarHBondContact O-N 3.17Å; I76-Q78 PolarHBondContact O-N 2.94Å; I76-Q78 VanDerWaalsContact O-N 3.16Å; I76-E79 HydrophobicContact CD1-CG 3.65Å; I76-E79 HydrophobicContact CG1-CG 4.07Å; I76-E79 VanDerWaalsContact O-CB 3.3Å; I76-E79 WeakPolarHBondContact O-CB 3.43Å; I76-E79 WeakPolarHBondContact O-CG 3.29Å; I76-E79 PolarHBondContact O-N 2.89Å; I76-Y83 HydrophobicContact CD1-CE1 4.23Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.83Å; I76-W84 HydrophobicContact CG1-CZ2 4.09Å; I76-W84 HydrophobicContact CG2-CH2 3.97Å; I76-W84 HydrophobicContact CG2-CZ2 4.35Å; I76-W84 VanDerWaalsContact O-CZ2 3.32Å; I76-W84 WeakPolarHBondContact O-CZ2 3.29Å; I76-Y195 HydrophobicContact CD1-CD1 3.71Å; I76-Y195 HydrophobicContact CD1-CE1 3.38Å; I76-Y195 HydrophobicContact CD1-CG 4.46Å
77	E	96.1	Very high	96.9	Very high	124 Å²	124	65 Å²	65	58%	0.579	33%	0.329	S	S	*	.	H	α-helix	trans	-64	-23.8	-176.5	-65.2	-177.9	-174.9	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.74Å; P71-E77 HydrophobicContact CG-CG 3.98Å; P74-E77 WeakPolarHBondContact O-CB 3.32Å; P74-E77 PolarHBondContact O-N 3.19Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 2.97Å
78	Q	94.3	Very high	97	Very high	122 Å²	122	61.4 Å²	61.4	57%	0.57	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-9.8	175.3	67.1	-178	4.5	0	0	114.1	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.49Å; W75-Q78 PolarHBondContact O-NE2 2.69Å; I76-Q78 PolarHBondContact O-N 2.94Å; I76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-N198 PolarHBondContact NE2-ND2 2.82Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.12Å; Q78-N198 PolarHBondContact NE2-OD1 2.71Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.16Å
79	E	96.4	Very high	97.1	Very high	11 Å²	11	63.5 Å²	63.5	5%	0.051	32%	0.317	C	S	.	.	S	Bend	trans	-62.2	138.3	173.4	-71.2	-63.4	157.1	0	0	111.3	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.65Å; I76-E79 HydrophobicContact CG1-CG 4.07Å; I76-E79 VanDerWaalsContact O-CB 3.3Å; I76-E79 WeakPolarHBondContact O-CB 3.43Å; I76-E79 WeakPolarHBondContact O-CG 3.29Å; I76-E79 PolarHBondContact O-N 2.89Å; E77-E79 PolarHBondContact O-N 2.97Å; E79-Y83 HydrophobicContact CB-CD1 3.43Å; E79-Y83 VanDerWaalsContact CB-CD1 3.43Å; E79-Y83 HydrophobicContact CB-CE1 4.07Å; E79-Y83 HydrophobicContact CB-CG 3.78Å; E79-Y83 HydrophobicContact CG-CD1 3.75Å; E79-Y83 HydrophobicContact CG-CD2 4.44Å; E79-Y83 HydrophobicContact CG-CE1 3.97Å; E79-Y83 HydrophobicContact CG-CG 3.99Å; E79-W84 HydrophobicContact CB-CZ2 4.32Å; E79-W84 PolarHBondContact O-NE1 2.03Å; E79-R194 VanDerWaalsContact CD-NH1 3.32Å; E79-R194 IonicContact OE1-CZ 3.88Å; E79-R194 IonicContact OE1-NE 3.67Å; E79-R194 PolarHBondContact OE1-NE 2.9Å; E79-R194 IonicContact OE1-NH1 2.71Å; E79-R194 PolarHBondContact OE1-NH1 3.25Å; E79-R194 VanDerWaalsContact OE1-NH1 3.12Å; E79-R194 IonicContact OE1-NH2 2.74Å; E79-R194 PolarHBondContact OE1-NH2 3.01Å; E79-R194 IonicContact OE2-CZ 3.73Å; E79-R194 IonicContact OE2-NH1 3.33Å; E79-R194 PolarHBondContact OE2-NH1 3.1Å; E79-R194 IonicContact OE2-NH2 2.78Å; E79-R194 PolarHBondContact OE2-NH2 2.82Å; E79-N198 PolarHBondContact OE1-ND2 2.82Å
80	G	96.3	Very high	97	Very high	35 Å²	35	65.7 Å²	65.7	36%	0.361	33%	0.329	S	S	.	.			trans	-70.4	167	-177.4	0	0	0	0	0	113.7	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.72Å; G80-Y83 WeakPolarHBondContact O-CB 3.3Å; G80-Y83 PolarHBondContact O-N 2.79Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 3.46Å
81	P	96.9	Very high	97	Very high	100 Å²	100	63.1 Å²	63.1	65%	0.649	32%	0.318	S	S	*	.	H	α-helix	trans	-58.1	-33.8	-179.1	23.1	-33.7	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.81Å; P81-W84 PolarHBondContact O-N 3.27Å; P81-D85 WeakPolarHBondContact O-CB 2.94Å; P81-D85 PolarHBondContact O-N 2.93Å
82	E	97.6	Very high	97	Very high	167 Å²	167	65.1 Å²	65.1	78%	0.78	32%	0.322	S	S	*	.	H	α-helix	trans	-60.4	-37.7	177.7	-64.7	-176.3	174.7	0	0	112.7	G80 Q86	G80-E82 PolarHBondContact O-N 2.72Å; E82-Q86 WeakPolarHBondContact O-CB 3.49Å; E82-Q86 PolarHBondContact O-N 2.96Å
83	Y	97.1	Very high	97	Very high	31 Å²	31	63 Å²	63	12%	0.122	33%	0.326	C	S	.	.	H	α-helix	trans	-63.7	-51.3	175.5	171.1	-95.4	0	0	0	110.5	I76 E79 G80 P81 D85 Q86 E87 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.23Å; I76-Y83 HydrophobicContact CG1-CE1 4.2Å; E79-Y83 HydrophobicContact CB-CD1 3.43Å; E79-Y83 VanDerWaalsContact CB-CD1 3.43Å; E79-Y83 HydrophobicContact CB-CE1 4.07Å; E79-Y83 HydrophobicContact CB-CG 3.78Å; E79-Y83 HydrophobicContact CG-CD1 3.75Å; E79-Y83 HydrophobicContact CG-CD2 4.44Å; E79-Y83 HydrophobicContact CG-CE1 3.97Å; E79-Y83 HydrophobicContact CG-CG 3.99Å; G80-Y83 WeakPolarHBondContact O-CB 3.3Å; G80-Y83 PolarHBondContact O-N 2.79Å; G80-Y83 VanDerWaalsContact O-N 3.07Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.81Å; Y83-D85 PolarHBondContact O-N 2.63Å; Y83-Q86 PolarHBondContact O-N 3.45Å; Y83-E87 HydrophobicContact CD1-CG 4.48Å; Y83-E87 HydrophobicContact CD2-CG 4.21Å; Y83-E87 HydrophobicContact CE1-CG 4.08Å; Y83-E87 HydrophobicContact CE2-CG 3.76Å; Y83-E87 WeakPolarHBondContact O-CB 3.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.45Å; Y83-E87 PolarHBondContact O-N 3.27Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.48Å; Y83-Y195 PolarHBondContact OH-OH 2.9Å
84	W	98.2	Very high	97.1	Very high	38 Å²	38	64 Å²	64	14%	0.144	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-39.3	-178.4	-65.5	113	0	0	0	113	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.12Å; V58-W84 HydrophobicContact CG1-CZ3 3.92Å; M69-W84 HydrophobicContact CB-CE3 4.25Å; M69-W84 HydrophobicContact CG-CE3 4.15Å; M69-W84 HydrophobicContact CG-CZ3 3.96Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 3.98Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.25Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å; I76-W84 HydrophobicContact CB-CH2 4.48Å; I76-W84 HydrophobicContact CG1-CH2 3.83Å; I76-W84 HydrophobicContact CG1-CZ2 4.09Å; I76-W84 HydrophobicContact CG2-CH2 3.97Å; I76-W84 HydrophobicContact CG2-CZ2 4.35Å; I76-W84 VanDerWaalsContact O-CZ2 3.32Å; I76-W84 WeakPolarHBondContact O-CZ2 3.29Å; E79-W84 HydrophobicContact CB-CZ2 4.32Å; E79-W84 PolarHBondContact O-NE1 2.03Å; G80-W84 VanDerWaalsContact O-CD1 3.28Å; G80-W84 PolarHBondContact O-N 3.46Å; P81-W84 PolarHBondContact O-N 3.27Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 2.84Å; W84-T88 PolarHBondContact O-OG1 3.11Å
85	D	98.1	Very high	97.2	Very high	91 Å²	91	59.9 Å²	59.9	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-67.3	-41.9	175.5	-76.2	-19.4	0	0	0	111.2	P81 Y83 R89	P81-D85 WeakPolarHBondContact O-CB 2.94Å; P81-D85 PolarHBondContact O-N 2.93Å; Y83-D85 PolarHBondContact O-N 2.63Å; D85-R89 WeakPolarHBondContact O-CB 3.31Å; D85-R89 VanDerWaalsContact O-CG 3.31Å; D85-R89 WeakPolarHBondContact O-CG 3.47Å; D85-R89 PolarHBondContact O-N 3.33Å
86	Q	97.4	Very high	97.3	Very high	78 Å²	78	64.6 Å²	64.6	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-48.4	176.7	-174.1	59	44.1	0	0	111.9	E82 Y83 T88 R89 N90	E82-Q86 WeakPolarHBondContact O-CB 3.49Å; E82-Q86 PolarHBondContact O-N 2.96Å; Y83-Q86 PolarHBondContact O-N 3.45Å; Q86-T88 VanDerWaalsContact C-N 3.34Å; Q86-T88 PolarHBondContact O-N 2.89Å; Q86-R89 PolarHBondContact O-N 3.33Å; Q86-N90 PolarHBondContact NE2-OD1 2.94Å; Q86-N90 WeakPolarHBondContact O-CB 3.44Å; Q86-N90 PolarHBondContact O-N 3.33Å; Q86-N90 PolarHBondContact O-ND2 3.48Å; Q86-N90 PolarHBondContact O-OD1 2.95Å
87	E	97.4	Very high	97.3	Very high	28 Å²	28	68.1 Å²	68.1	13%	0.131	35%	0.348	C	S	.	.	H	α-helix	trans	-65	-38.9	179.5	-73	-56.2	104.3	0	0	111.9	M69 Y83 R89 N90 M91	M69-E87 HydrophobicContact CB-CB 4.06Å; M69-E87 HydrophobicContact CE-CB 4.12Å; M69-E87 HydrophobicContact CG-CB 4.03Å; Y83-E87 HydrophobicContact CD1-CG 4.48Å; Y83-E87 HydrophobicContact CD2-CG 4.21Å; Y83-E87 HydrophobicContact CE1-CG 4.08Å; Y83-E87 HydrophobicContact CE2-CG 3.76Å; Y83-E87 WeakPolarHBondContact O-CB 3.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.45Å; Y83-E87 PolarHBondContact O-N 3.27Å; E87-R89 PolarHBondContact O-N 3.01Å; E87-N90 PolarHBondContact O-N 2.89Å; E87-N90 PolarHBondContact OE1-ND2 3.46Å; E87-M91 WeakPolarHBondContact O-CG 3.32Å; E87-M91 PolarHBondContact O-N 3.43Å
88	T	98.4	Very high	97.3	Very high	13 Å²	13	62.2 Å²	62.2	8%	0.08	32%	0.321	C	S	.	.	H	α-helix	trans	-61	-46	172.9	-63.8	0	0	0	0	111.4	K68 M69 W84 Q86 M91 K92	K68-T88 HydrophobicContact CB-CG2 4.45Å; K68-T88 HydrophobicContact CG-CG2 4.18Å; M69-T88 PolarHBondContact N-OG1 2.95Å; W84-T88 WeakPolarHBondContact O-CB 3.39Å; W84-T88 PolarHBondContact O-N 2.84Å; W84-T88 PolarHBondContact O-OG1 3.11Å; Q86-T88 VanDerWaalsContact C-N 3.34Å; Q86-T88 PolarHBondContact O-N 2.89Å; T88-M91 PolarHBondContact O-N 2.94Å; T88-K92 HydrophobicContact CG2-CD 4.26Å; T88-K92 WeakPolarHBondContact O-CG 3.32Å; T88-K92 PolarHBondContact O-N 3.43Å
89	R	98.3	Very high	97.4	Very high	160 Å²	160	61.8 Å²	61.8	60%	0.604	31%	0.314	S	S	*	.	H	α-helix	trans	-62.3	-43.2	176.8	-75.2	-171.8	-60.2	-169.1	2.1	111.7	D85 Q86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.31Å; D85-R89 VanDerWaalsContact O-CG 3.31Å; D85-R89 WeakPolarHBondContact O-CG 3.47Å; D85-R89 PolarHBondContact O-N 3.33Å; Q86-R89 PolarHBondContact O-N 3.33Å; E87-R89 PolarHBondContact O-N 3.01Å; R89-K92 PolarHBondContact O-N 3.46Å; R89-A93 WeakPolarHBondContact O-CB 3.47Å; R89-A93 PolarHBondContact O-N 2.92Å
90	N	96.8	Very high	97.4	Very high	56 Å²	56	64.1 Å²	64.1	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-58.8	-48.1	177.4	-69.2	-18.4	0	0	0	111	Q86 E87 A93 H94	Q86-N90 PolarHBondContact NE2-OD1 2.94Å; Q86-N90 WeakPolarHBondContact O-CB 3.44Å; Q86-N90 PolarHBondContact O-N 3.33Å; Q86-N90 PolarHBondContact O-ND2 3.48Å; Q86-N90 PolarHBondContact O-OD1 2.95Å; E87-N90 PolarHBondContact O-N 2.89Å; E87-N90 PolarHBondContact OE1-ND2 3.46Å; N90-A93 PolarHBondContact O-N 3.28Å; N90-H94 WeakPolarHBondContact O-CB 3.34Å; N90-H94 PolarHBondContact O-N 2.67Å
91	M	97.6	Very high	97.5	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-68.9	-36.4	-179.8	-67.9	-53.8	105	0	0	113	F46 A48 F60 M69 E87 T88 H94 S95	F46-M91 HydrophobicContact CE1-CB 4.39Å; F46-M91 HydrophobicContact CE1-SD 4.39Å; F46-M91 HydrophobicContact CZ-SD 4.46Å; A48-M91 HydrophobicContact CB-SD 3.7Å; F60-M91 HydrophobicContact CB-CB 4.18Å; F60-M91 HydrophobicContact CB-CG 4.09Å; F60-M91 HydrophobicContact CD1-CB 4.16Å; F60-M91 HydrophobicContact CD2-CB 3.69Å; F60-M91 HydrophobicContact CD2-CG 4.33Å; F60-M91 HydrophobicContact CE2-CB 4.07Å; F60-M91 HydrophobicContact CG-CB 3.74Å; F60-M91 HydrophobicContact CG-CG 4.21Å; F60-M91 HydrophobicContact CZ-CB 4.47Å; M69-M91 HydrophobicContact CE-CE 4.41Å; M69-M91 HydrophobicContact CE-CG 3.29Å; M69-M91 HydrophobicContact CE-SD 4Å; M69-M91 HydrophobicContact SD-CG 4.36Å; E87-M91 WeakPolarHBondContact O-CG 3.32Å; E87-M91 PolarHBondContact O-N 3.43Å; T88-M91 PolarHBondContact O-N 2.94Å; M91-H94 PolarHBondContact O-N 2.96Å; M91-S95 WeakPolarHBondContact O-CB 3.35Å; M91-S95 PolarHBondContact O-N 2.94Å
92	K	98	Very high	97.5	Very high	84 Å²	84	60.9 Å²	60.9	37%	0.365	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-43.9	172.6	-74.5	-175.4	-179.8	-171.2	0	111.7	F60 Q67 T88 R89 H94 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.11Å; F60-K92 HydrophobicContact CZ-CG 3.93Å; Q67-K92 WeakPolarHBondContact O-CE 3.35Å; Q67-K92 PolarHBondContact O-NZ 3.18Å; T88-K92 HydrophobicContact CG2-CD 4.26Å; T88-K92 WeakPolarHBondContact O-CG 3.32Å; T88-K92 PolarHBondContact O-N 3.43Å; R89-K92 PolarHBondContact O-N 3.46Å; K92-H94 VanDerWaalsContact C-N 3.34Å; K92-S95 PolarHBondContact O-N 3.34Å; K92-Q96 WeakPolarHBondContact O-CG 3.31Å; K92-Q96 PolarHBondContact O-N 2.87Å; K92-Q96 VanDerWaalsContact O-N 3.08Å
93	A	98	Very high	97.4	Very high	58 Å²	58	54.7 Å²	54.7	48%	0.479	29%	0.285	S	S	.	.	H	α-helix	trans	-64	-40	176	0	0	0	0	0	112	R89 N90 Q96 T97	R89-A93 WeakPolarHBondContact O-CB 3.47Å; R89-A93 PolarHBondContact O-N 2.92Å; N90-A93 PolarHBondContact O-N 3.28Å; A93-Q96 PolarHBondContact O-N 3.45Å; A93-T97 PolarHBondContact O-N 3.41Å; A93-T97 PolarHBondContact O-OG1 3.4Å
94	H	97.5	Very high	97.4	Very high	26 Å²	26	55.9 Å²	55.9	12%	0.12	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-46.8	174.8	-165.6	178.8	0	0	0	111.2	S33 F46 N90 M91 K92 Q96 T97 D98 I121	S33-H94 PolarHBondContact OG-CE1 3.31Å; F46-H94 HydrophobicContact CE2-CB 4.29Å; F46-H94 AromaticContact CE2-CG 3.92Å; F46-H94 HydrophobicContact CZ-CB 4Å; F46-H94 AromaticContact CZ-CG 3.82Å; F46-H94 AromaticContact CZ-ND1 3.75Å; N90-H94 WeakPolarHBondContact O-CB 3.34Å; N90-H94 PolarHBondContact O-N 2.67Å; M91-H94 PolarHBondContact O-N 2.96Å; K92-H94 VanDerWaalsContact C-N 3.34Å; H94-Q96 VanDerWaalsContact C-N 3.33Å; H94-Q96 PolarHBondContact O-N 3.47Å; H94-T97 WeakPolarHBondContact O-CB 3.43Å; H94-T97 PolarHBondContact O-N 2.87Å; H94-D98 IonicContact CD2-OD1 3.13Å; H94-D98 IonicContact NE2-OD1 3.44Å; H94-D98 PolarHBondContact O-N 2.87Å; H94-I121 WeakPolarHBondContact NE2-CD1 3.36Å
95	S	97.6	Very high	97.3	Very high	16 Å²	16	54.7 Å²	54.7	11%	0.112	29%	0.292	C	S	.	.	H	α-helix	trans	-56.7	-43	176.2	174.9	0	0	0	0	112.9	F46 M91 K92 D98 R99	F46-S95 WeakPolarHBondContact CB-OG 3.38Å; M91-S95 WeakPolarHBondContact O-CB 3.35Å; M91-S95 PolarHBondContact O-N 2.94Å; K92-S95 PolarHBondContact O-N 3.34Å; S95-D98 PolarHBondContact O-N 3.42Å; S95-R99 WeakPolarHBondContact O-CB 3.46Å; S95-R99 PolarHBondContact O-N 3.39Å
96	Q	97.3	Very high	97.2	Very high	112 Å²	112	53.7 Å²	53.7	52%	0.523	28%	0.281	S	S	.	.	H	α-helix	trans	-67.6	-36.4	175.7	-64.8	-55	-42.4	0	0	112.6	K92 A93 H94 R99 A100	K92-Q96 WeakPolarHBondContact O-CG 3.31Å; K92-Q96 PolarHBondContact O-N 2.87Å; K92-Q96 VanDerWaalsContact O-N 3.08Å; A93-Q96 PolarHBondContact O-N 3.45Å; H94-Q96 VanDerWaalsContact C-N 3.33Å; H94-Q96 PolarHBondContact O-N 3.47Å; Q96-R99 PolarHBondContact O-N 3.5Å; Q96-A100 PolarHBondContact O-N 3.32Å
97	T	97.4	Very high	97.2	Very high	74 Å²	74	52.1 Å²	52.1	45%	0.454	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-46.2	175.8	-57.3	0	0	0	0	110.6	A93 H94 R99 A100 N101	A93-T97 PolarHBondContact O-N 3.41Å; A93-T97 PolarHBondContact O-OG1 3.4Å; H94-T97 WeakPolarHBondContact O-CB 3.43Å; H94-T97 PolarHBondContact O-N 2.87Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 2.93Å; T97-A100 PolarHBondContact O-N 2.9Å; T97-N101 WeakPolarHBondContact O-CB 3.17Å; T97-N101 PolarHBondContact O-N 3.46Å; T97-N101 PolarHBondContact O-ND2 2.96Å
98	D	97.1	Very high	97.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-36.7	178.5	-84.2	13.4	0	0	0	112.6	S35 F46 H94 S95 A100 N101 L102	S35-D98 WeakPolarHBondContact OG-CB 3.36Å; S35-D98 PolarHBondContact OG-OD2 2.87Å; F46-D98 HydrophobicContact CD2-CB 4.42Å; H94-D98 IonicContact CD2-OD1 3.13Å; H94-D98 IonicContact NE2-OD1 3.44Å; H94-D98 PolarHBondContact O-N 2.87Å; S95-D98 PolarHBondContact O-N 3.42Å; D98-A100 VanDerWaalsContact C-N 3.33Å; D98-A100 PolarHBondContact O-N 3.42Å; D98-N101 PolarHBondContact O-N 3.48Å; D98-L102 WeakPolarHBondContact O-CG 3.3Å; D98-L102 PolarHBondContact O-N 2.93Å
99	R	96.4	Very high	97.1	Very high	112 Å²	112	56 Å²	56	42%	0.423	30%	0.299	S	S	.	.	H	α-helix	trans	-56.2	-47.6	171.3	175	-171	168.8	159.6	16.8	111.5	E43 P44 S95 Q96 T97	E43-R99 IonicContact OE1-CZ 3.67Å; E43-R99 IonicContact OE1-NE 3.95Å; E43-R99 IonicContact OE1-NH1 3.63Å; E43-R99 PolarHBondContact OE1-NH1 3.46Å; E43-R99 IonicContact OE1-NH2 2.84Å; E43-R99 PolarHBondContact OE1-NH2 3.45Å; E43-R99 WeakPolarHBondContact OE2-CD 3.5Å; E43-R99 IonicContact OE2-CZ 2.71Å; E43-R99 IonicContact OE2-NE 3.55Å; E43-R99 PolarHBondContact OE2-NE 3.28Å; E43-R99 IonicContact OE2-NH1 3.26Å; E43-R99 PolarHBondContact OE2-NH1 2.92Å; E43-R99 IonicContact OE2-NH2 3.31Å; E43-R99 PolarHBondContact OE2-NH2 3.2Å; E43-R99 VanDerWaalsContact OE2-NH2 3.07Å; P44-R99 HydrophobicContact CG-CB 4.44Å; P44-R99 HydrophobicContact CG-CG 4.19Å; S95-R99 WeakPolarHBondContact O-CB 3.46Å; S95-R99 PolarHBondContact O-N 3.39Å; Q96-R99 PolarHBondContact O-N 3.5Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 2.93Å
100	A	96.7	Very high	97	Very high	60 Å²	60	55.6 Å²	55.6	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-67.4	-37.7	177.4	0	0	0	0	0	111.9	Q96 T97 D98 G103 T104	Q96-A100 PolarHBondContact O-N 3.32Å; T97-A100 PolarHBondContact O-N 2.9Å; D98-A100 VanDerWaalsContact C-N 3.33Å; D98-A100 PolarHBondContact O-N 3.42Å; A100-G103 PolarHBondContact O-N 3.36Å; A100-T104 PolarHBondContact O-N 3.46Å; A100-T104 PolarHBondContact O-OG1 2.86Å
101	N	97.5	Very high	97	Very high	59 Å²	59	55.8 Å²	55.8	32%	0.316	31%	0.308	S	S	.	.	H	α-helix	trans	-66.1	-37.3	177.7	-70	-21.4	0	0	0	112.2	T97 D98 G103 T104 L105 I119	T97-N101 WeakPolarHBondContact O-CB 3.17Å; T97-N101 PolarHBondContact O-N 3.46Å; T97-N101 PolarHBondContact O-ND2 2.96Å; D98-N101 PolarHBondContact O-N 3.48Å; N101-G103 VanDerWaalsContact C-N 3.3Å; N101-G103 PolarHBondContact O-N 3.26Å; N101-T104 WeakPolarHBondContact O-CB 3.41Å; N101-T104 PolarHBondContact O-N 2.79Å; N101-T104 VanDerWaalsContact O-N 3.1Å; N101-L105 WeakPolarHBondContact O-CB 3.23Å; N101-L105 WeakPolarHBondContact O-CG 3.22Å; N101-L105 PolarHBondContact O-N 2.81Å; N101-I119 HydrophobicContact CB-CD1 3.63Å
102	L	97.1	Very high	96.8	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-57.1	-44.5	175.2	-80.6	164.5	0	0	0	111.3	P44 D98 R106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.73Å; D98-L102 WeakPolarHBondContact O-CG 3.3Å; D98-L102 PolarHBondContact O-N 2.93Å; L102-R106 VanDerWaalsContact O-CB 3.29Å; L102-R106 WeakPolarHBondContact O-CB 3.02Å; L102-R106 PolarHBondContact O-N 2.85Å; L102-R106 VanDerWaalsContact O-N 3.09Å; L102-H117 HydrophobicContact CD2-CB 4.1Å; L102-I119 HydrophobicContact CB-CD1 4.43Å; L102-I119 HydrophobicContact CD2-CD1 3.95Å; L102-I119 HydrophobicContact CD2-CG1 3.76Å; L102-I119 HydrophobicContact CG-CD1 3.75Å; L102-I119 HydrophobicContact CG-CG1 4.11Å; L102-Y142 HydrophobicContact CD2-CE2 4.36Å
103	G	94.9	Very high	96.3	Very high	37 Å²	37	61.4 Å²	61.4	38%	0.381	34%	0.344	S	S	.	.	H	α-helix	trans	-66.4	-38.8	174.9	0	0	0	0	0	113	A100 N101 G107	A100-G103 PolarHBondContact O-N 3.36Å; N101-G103 VanDerWaalsContact C-N 3.3Å; N101-G103 PolarHBondContact O-N 3.26Å; G103-G107 PolarHBondContact O-N 2.97Å
104	T	97	Very high	95.9	Very high	57 Å²	57	65.5 Å²	65.5	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-65.7	-47.8	178.5	-59.8	0	0	0	0	111.9	A100 N101 G107 Y108	A100-T104 PolarHBondContact O-N 3.46Å; A100-T104 PolarHBondContact O-OG1 2.86Å; N101-T104 WeakPolarHBondContact O-CB 3.41Å; N101-T104 PolarHBondContact O-N 2.79Å; N101-T104 VanDerWaalsContact O-N 3.1Å; T104-G107 PolarHBondContact O-N 2.94Å; T104-Y108 HydrophobicContact CG2-CD1 4.38Å; T104-Y108 HydrophobicContact CG2-CD2 4.41Å; T104-Y108 HydrophobicContact CG2-CE1 3.79Å; T104-Y108 HydrophobicContact CG2-CE2 3.82Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.46Å; T104-Y108 PolarHBondContact O-N 2.9Å
105	L	97.6	Very high	95.5	Very high	12 Å²	12	65.2 Å²	65.2	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-65	-44.2	-179.9	-68.6	175.4	0	0	0	111	N101 G107 Y108 Y109 I119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.23Å; N101-L105 WeakPolarHBondContact O-CG 3.22Å; N101-L105 PolarHBondContact O-N 2.81Å; L105-G107 PolarHBondContact O-N 2.89Å; L105-Y108 HydrophobicContact CD2-CD2 4.22Å; L105-Y108 PolarHBondContact O-N 2.79Å; L105-Y109 HydrophobicContact CD2-CE2 4.47Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.47Å; L105-Y109 PolarHBondContact O-N 3.26Å; L105-I119 HydrophobicContact CD1-CD1 3.58Å; L105-I119 HydrophobicContact CD1-CG1 3.68Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.17Å; L105-Y142 HydrophobicContact CB-CE1 4.04Å; L105-Y142 HydrophobicContact CB-CE2 3.82Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.47Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.47Å; L105-Y142 HydrophobicContact CD1-CE2 3.87Å; L105-Y142 HydrophobicContact CD1-CG 3.85Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y147 HydrophobicContact CD2-CD2 4.36Å; L105-Y147 HydrophobicContact CD2-CE1 3.79Å; L105-Y147 HydrophobicContact CD2-CE2 3.61Å; L105-Y147 VanDerWaalsContact CD2-OH 3.3Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.46Å
106	R	96.1	Very high	95.5	Very high	71 Å²	71	67.9 Å²	67.9	27%	0.268	38%	0.38	S	S	.	.	H	α-helix	trans	-52.3	-43	172.9	-172.3	-175.2	68.1	178.9	10.5	111.7	L102 N110 Q111 E113	L102-R106 VanDerWaalsContact O-CB 3.29Å; L102-R106 WeakPolarHBondContact O-CB 3.02Å; L102-R106 PolarHBondContact O-N 2.85Å; L102-R106 VanDerWaalsContact O-N 3.09Å; R106-N110 PolarHBondContact O-N 3.1Å; R106-N110 VanDerWaalsContact O-N 3.1Å; R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 PolarHBondContact O-N 2.79Å; R106-E113 IonicContact CZ-OE1 3.56Å; R106-E113 IonicContact NH1-OE1 3.98Å; R106-E113 IonicContact NH2-OE1 3.05Å; R106-E113 PolarHBondContact NH2-OE1 3.15Å
107	G	96.2	Very high	95.5	Very high	45 Å²	45	63.2 Å²	63.2	46%	0.464	36%	0.358	S	S	.	.	H	α-helix	trans	-64.9	-44.8	174.9	0	0	0	0	0	113.5	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 2.97Å; T104-G107 PolarHBondContact O-N 2.94Å; L105-G107 PolarHBondContact O-N 2.89Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.21Å; G107-N110 PolarHBondContact O-N 2.91Å; G107-N110 PolarHBondContact O-OD1 3.43Å
108	Y	97.7	Very high	95.5	Very high	55 Å²	55	61.3 Å²	61.3	22%	0.216	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-34.8	178	-68.2	-9.1	0	0	0	113.2	T104 L105 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.38Å; T104-Y108 HydrophobicContact CG2-CD2 4.41Å; T104-Y108 HydrophobicContact CG2-CE1 3.79Å; T104-Y108 HydrophobicContact CG2-CE2 3.82Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.46Å; T104-Y108 PolarHBondContact O-N 2.9Å; L105-Y108 HydrophobicContact CD2-CD2 4.22Å; L105-Y108 PolarHBondContact O-N 2.79Å; Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CD1 4.41Å; Y108-I166 HydrophobicContact CE1-CG2 4.13Å; Y108-I166 HydrophobicContact CE2-CB 4.14Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.23Å; Y108-K170 PolarHBondContact OH-NZ 2.82Å
109	Y	97.4	Very high	95.6	Very high	67 Å²	67	61.6 Å²	61.6	26%	0.263	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	2.8	179.4	-70	-73.5	0	0	0	113.8	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.47Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.47Å; L105-Y109 PolarHBondContact O-N 3.26Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.21Å; Y109-Q111 PolarHBondContact O-N 2.92Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.51Å; Y109-Y142 HydrophobicContact CD2-CE1 3.51Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.2Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.13Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.39Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.22Å; Y109-D161 PolarHBondContact OH-OD1 3.44Å; Y109-D161 VanDerWaalsContact OH-OD1 3.13Å; Y109-D161 PolarHBondContact OH-OD2 2.85Å; Y109-A163 HydrophobicContact CD1-CB 4.12Å; Y109-A163 HydrophobicContact CD2-CB 4.41Å; Y109-A163 HydrophobicContact CE1-CB 3.57Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å
110	N	96.2	Very high	95.7	Very high	152 Å²	152	60.1 Å²	60.1	81%	0.813	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.8	-177.1	-57.4	-56	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 3.1Å; R106-N110 VanDerWaalsContact O-N 3.1Å; G107-N110 PolarHBondContact O-N 2.91Å; G107-N110 PolarHBondContact O-OD1 3.43Å
111	Q	96.1	Very high	95.8	Very high	60 Å²	60	57.5 Å²	57.5	28%	0.28	32%	0.323	S	S	.	.			trans	-87.2	154.6	-178	-70.5	164.1	-39.3	0	0	111.7	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 PolarHBondContact O-N 2.79Å; Y109-Q111 PolarHBondContact O-N 2.92Å; Q111-H117 PolarHBondContact NE2-CE1 3.01Å; Q111-H117 PolarHBondContact OE1-CE1 3.37Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.31Å; Q111-Y142 PolarHBondContact OE1-OH 2.74Å; Q111-D143 PolarHBondContact NE2-OD2 3.26Å
112	S	92.8	Very high	95.9	Very high	76 Å²	76	55.9 Å²	55.9	53%	0.531	31%	0.314	S	S	.	.			trans	-71.8	158.1	-179.5	62.4	0	0	0	0	112.6	D114	S112-D114 VanDerWaalsContact C-N 3.3Å; S112-D114 PolarHBondContact O-N 3.02Å
113	E	87.9	Confident	95.9	Very high	132 Å²	132	56.7 Å²	56.7	62%	0.617	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.9	179.8	-57.1	-153.5	124	0	0	113.6	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CG-O 3.46Å; R106-E113 IonicContact CZ-OE1 3.56Å; R106-E113 IonicContact NH1-OE1 3.98Å; R106-E113 IonicContact NH2-OE1 3.05Å; R106-E113 PolarHBondContact NH2-OE1 3.15Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.28Å
114	D	88.6	Confident	96.1	Very high	144 Å²	144	54.9 Å²	54.9	77%	0.77	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.6	-177.9	-55.9	-39.7	0	0	0	112.9	S112	S112-D114 VanDerWaalsContact C-N 3.3Å; S112-D114 PolarHBondContact O-N 3.02Å
115	G	91.1	Very high	96.2	Very high	20 Å²	20	52.2 Å²	52.2	21%	0.206	28%	0.282	C	S	.	.			trans	-76.4	131.4	178	0	0	0	0	0	112.8	P39 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.15Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.28Å; G115-H117 PolarHBondContact O-CD2 2.91Å
116	S	95.9	Very high	96.2	Very high	72 Å²	72	53 Å²	53	50%	0.503	29%	0.286	S	S	.	.			trans	-80.5	131.8	165.1	-176.9	0	0	0	0	109.1	S37	S37-S116 PolarHBondContact O-OG 2.92Å; S37-S116 WeakPolarHBondContact OG-CA 3.5Å
117	H	97.7	Very high	96.2	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.065	27%	0.274	C	S	.	.			trans	-129.6	151.3	-175	-65.2	-70.4	0	0	0	110.3	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.31Å; S37-H117 PolarHBondContact N-O 3.33Å; S37-H117 PolarHBondContact OG-N 3.19Å; S37-H117 PolarHBondContact OG-O 3.06Å; L102-H117 HydrophobicContact CD2-CB 4.1Å; Q111-H117 PolarHBondContact NE2-CE1 3.01Å; Q111-H117 PolarHBondContact OE1-CE1 3.37Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.31Å; G115-H117 PolarHBondContact O-CD2 2.91Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.29Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.88Å; H117-D143 WeakPolarHBondContact CA-OD1 3.43Å; H117-D143 IonicContact CE1-OD2 3.62Å; H117-D143 IonicContact CG-OD1 2.73Å; H117-D143 IonicContact CG-OD2 3.62Å; H117-D143 IonicContact ND1-OD1 2.88Å; H117-D143 IonicContact ND1-OD2 3.66Å; H117-D143 PolarHBondContact ND1-OD2 3.09Å
118	T	98.5	Very high	96.1	Very high	34 Å²	34	47.6 Å²	47.6	21%	0.209	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129	-174.7	-55.7	0	0	0	0	111.2	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.75Å; S35-T118 CarbonylContact O-C 3.55Å; S35-T118 VanDerWaalsContact O-CA 3.29Å; S35-T118 WeakPolarHBondContact O-CA 3.35Å; V36-T118 HydrophobicContact CG2-CG2 4.16Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; T118-Y142 CarbonylContact O-C 3.51Å; T118-Y142 WeakPolarHBondContact O-CA 3.36Å; T118-Y142 VanDerWaalsContact O-CD2 3.25Å; T118-Y142 WeakPolarHBondContact O-CD2 3.27Å; T118-D143 PolarHBondContact N-OD1 2.97Å; T118-D143 PolarHBondContact O-N 2.86Å
119	I	98.7	Very high	95.8	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.6	163.7	-65.5	173.4	0	0	0	107.9	T34 S35 N101 L102 L105 I121 A141 Y142	T34-I119 CarbonylContact C-O 3.55Å; T34-I119 WeakPolarHBondContact CA-O 3.49Å; S35-I119 PolarHBondContact N-O 3.38Å; S35-I119 PolarHBondContact O-N 3.46Å; N101-I119 HydrophobicContact CB-CD1 3.63Å; L102-I119 HydrophobicContact CB-CD1 4.43Å; L102-I119 HydrophobicContact CD2-CD1 3.95Å; L102-I119 HydrophobicContact CD2-CG1 3.76Å; L102-I119 HydrophobicContact CG-CD1 3.75Å; L102-I119 HydrophobicContact CG-CG1 4.11Å; L105-I119 HydrophobicContact CD1-CD1 3.58Å; L105-I119 HydrophobicContact CD1-CG1 3.68Å; I119-I121 HydrophobicContact CG2-CD1 3.99Å; I119-I121 HydrophobicContact CG2-CG1 3.96Å; I119-A141 WeakPolarHBondContact CA-O 3.38Å; I119-Y142 HydrophobicContact CG1-CD2 3.86Å; I119-Y142 HydrophobicContact CG1-CE2 4.28Å
120	Q	98.8	Very high	95.4	Very high	80 Å²	80	51.2 Å²	51.2	37%	0.374	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.9	172.2	-69.3	169.9	-91.1	0	0	109.3	S33 T34 T118 D140 A141	S33-Q120 CarbonylContact O-C 3.55Å; S33-Q120 WeakPolarHBondContact O-CA 3.09Å; T34-Q120 HydrophobicContact CG2-CG 4.01Å; T118-Q120 HydrophobicContact CG2-CG 3.97Å; Q120-D140 CarbonylContact O-C 3.57Å; Q120-D140 WeakPolarHBondContact O-CA 3.28Å; Q120-A141 HydrophobicContact CB-CB 4.26Å; Q120-A141 PolarHBondContact N-O 3.01Å; Q120-A141 PolarHBondContact O-N 3.44Å
121	I	98.6	Very high	95.2	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.1	-178.6	-66.4	165.3	0	0	0	108.4	F32 S33 H94 I119 Y123 Q139 D140	F32-I121 CarbonylContact C-O 3.6Å; F32-I121 VanDerWaalsContact CA-O 3.29Å; F32-I121 WeakPolarHBondContact CA-O 3.27Å; S33-I121 PolarHBondContact N-O 2.96Å; S33-I121 PolarHBondContact O-N 2.85Å; H94-I121 WeakPolarHBondContact NE2-CD1 3.36Å; I119-I121 HydrophobicContact CG2-CD1 3.99Å; I119-I121 HydrophobicContact CG2-CG1 3.96Å; I121-Y123 HydrophobicContact CG2-CD1 4.01Å; I121-Q139 CarbonylContact C-O 3.53Å; I121-Q139 WeakPolarHBondContact CA-O 3.3Å; I121-D140 HydrophobicContact CG1-CB 4.23Å
122	M	98.6	Very high	95.1	Very high	26 Å²	26	49.8 Å²	49.8	13%	0.128	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.3	168.1	-177.3	-81.6	-70	0	0	109.5	Y31 F32 Y137 R138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.35Å; F32-M122 HydrophobicContact CD1-CB 3.87Å; F32-M122 HydrophobicContact CD1-CG 3.7Å; F32-M122 HydrophobicContact CE1-CB 3.94Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CZ-CG 3.89Å; M122-Y137 HydrophobicContact CE-CD1 4.23Å; M122-Y137 HydrophobicContact CE-CG 4.3Å; M122-Y137 HydrophobicContact SD-CG 4.46Å; M122-R138 CarbonylContact O-C 3.59Å; M122-R138 WeakPolarHBondContact O-CA 3.4Å; M122-Q139 HydrophobicContact CE-CB 4.4Å; M122-Q139 HydrophobicContact CE-CG 4.13Å; M122-Q139 PolarHBondContact N-O 3.18Å; M122-Q139 PolarHBondContact O-N 3.34Å
123	Y	98.4	Very high	95.3	Very high	24 Å²	24	49 Å²	49	9%	0.094	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	155	170.5	65.6	-83.9	0	0	0	111.4	Y31 I121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CZ 3.4Å; Y31-Y123 HydrophobicContact CD2-CD2 4.43Å; Y31-Y123 AromaticContact CD2-CE2 3.77Å; Y31-Y123 HydrophobicContact CD2-CE2 3.77Å; Y31-Y123 HydrophobicContact CG-CE1 4.45Å; Y31-Y123 AromaticContact CG-CE2 3.97Å; Y31-Y123 HydrophobicContact CG-CE2 3.97Å; Y31-Y123 AromaticContact CG-CZ 3.79Å; Y31-Y123 PolarHBondContact N-O 2.96Å; Y31-Y123 PolarHBondContact O-N 3.3Å; I121-Y123 HydrophobicContact CG2-CD1 4.01Å; Y123-Y137 WeakPolarHBondContact CA-O 3.43Å; Y123-Y137 WeakPolarHBondContact CB-O 3.44Å; Y123-Y183 AromaticContact CD2-CE1 3.82Å; Y123-Y183 HydrophobicContact CD2-CE1 3.82Å; Y123-Y183 AromaticContact CE2-CE1 3.94Å; Y123-Y183 HydrophobicContact CE2-CE1 3.94Å
124	G	98.4	Very high	95.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.1	-178.3	-177.6	0	0	0	0	0	113.6	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.51Å; M29-G124 WeakPolarHBondContact O-CA 3.37Å; G124-G136 CarbonylContact O-C 3.59Å; G124-G136 WeakPolarHBondContact O-CA 3.37Å; G124-Y137 PolarHBondContact N-O 2.84Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 3.44Å; G124-L184 WeakPolarHBondContact O-CD2 3.11Å
125	C	98.5	Very high	96.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	152.9	-175.8	56.4	0	0	0	0	111.1	S28 M29 F133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.35Å; M29-C125 PolarHBondContact N-O 3Å; M29-C125 PolarHBondContact O-N 3.2Å; C125-F133 HydrophobicContact CB-CD2 4.38Å; C125-F133 HydrophobicContact CB-CE2 4.09Å; C125-R135 CarbonylContact C-O 3.59Å; C125-R135 VanDerWaalsContact CA-O 3.28Å; C125-R135 WeakPolarHBondContact CA-O 3.33Å; C125-C188 HydrophobicContact CB-CB 3.87Å; C125-C188 WeakPolarHBondContact CB-SG 3.3Å; C125-C188 PolarHBondContact N-SG 2.82Å; C125-C188 WeakPolarHBondContact SG-CB 3.13Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.26Å; C125-V189 HydrophobicContact CB-CG2 4.49Å
126	D	98	Very high	96.4	Very high	28 Å²	28	44.6 Å²	44.6	15%	0.15	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.2	173.9	-61.7	-1.5	0	0	0	109.1	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.56Å; H27-D126 WeakPolarHBondContact O-CA 3.47Å; S28-D126 WeakPolarHBondContact CB-OD1 3.15Å; R30-D126 IonicContact CZ-OD1 2.7Å; R30-D126 IonicContact NE-OD1 3.71Å; R30-D126 PolarHBondContact NE-OD1 2.88Å; R30-D126 VanDerWaalsContact NE-OD1 3.13Å; R30-D126 IonicContact NH2-OD1 3.09Å; R30-D126 PolarHBondContact NH2-OD1 2.82Å; R30-D126 IonicContact NH2-OD2 3.3Å; R30-D126 PolarHBondContact NH2-OD2 3.14Å; D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 3Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 3.34Å; D126-R135 PolarHBondContact O-N 3.21Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.32Å; D126-Y137 PolarHBondContact OD2-OH 3.34Å
127	V	97	Very high	96.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.6	175.5	-61.2	0	0	0	0	110.6	S26 H27 R132 V189 L192	S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.47Å; H27-V127 HydrophobicContact CB-CG2 3.98Å; H27-V127 PolarHBondContact N-O 2.92Å; H27-V127 PolarHBondContact O-N 3.29Å; V127-R132 CarbonylContact C-O 3.57Å; V127-R132 WeakPolarHBondContact CA-O 3.28Å; V127-R132 WeakPolarHBondContact CB-O 3.25Å; V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.92Å; V127-V189 HydrophobicContact CG1-CG2 4.07Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.59Å; V127-L192 HydrophobicContact CG2-CG 4.18Å
128	G	94.1	Very high	96.5	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.031	21%	0.21	C	C	.	.			trans	-78.9	-179.4	175.8	0	0	0	0	0	112.4	G25 D130 G131 R132 L134	G25-G128 CarbonylContact O-C 3.58Å; G128-D130 PolarHBondContact O-N 2.65Å; G128-D130 VanDerWaalsContact O-N 3.15Å; G128-G131 WeakPolarHBondContact O-CA 3.36Å; G128-G131 PolarHBondContact O-N 3.26Å; G128-R132 PolarHBondContact N-O 3.01Å; G128-L134 VanDerWaalsContact CA-CD1 3.46Å
129	P	90.2	Very high	96.5	Very high	103 Å²	103	44.8 Å²	44.8	67%	0.669	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.4	176.6	-23.7	34	0	0	0	114.7	A24 G25	A24-P129 WeakPolarHBondContact O-CG 3.48Å; G25-P129 WeakPolarHBondContact O-CA 3.47Å
130	D	89.6	Confident	96.5	Very high	94 Å²	94	45.2 Å²	45.2	50%	0.503	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	6.8	174.3	67.8	-9.5	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 2.65Å; G128-D130 VanDerWaalsContact O-N 3.15Å; D130-R132 PolarHBondContact O-N 3.12Å; D130-R132 VanDerWaalsContact OD1-CB 3.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.17Å; D130-R132 WeakPolarHBondContact OD1-CG 3.26Å; D130-R132 PolarHBondContact OD1-N 3.1Å; D130-R132 WeakPolarHBondContact OD2-CD 3.38Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.46Å; D130-R132 IonicContact OD2-CZ 2.73Å; D130-R132 IonicContact OD2-NE 3.98Å; D130-R132 PolarHBondContact OD2-NE 2.95Å; D130-R132 IonicContact OD2-NH1 3.51Å
131	G	90.9	Very high	96.5	Very high	15 Å²	15	42.2 Å²	42.2	16%	0.155	21%	0.209	C	C	.	.	S	Bend	trans	70.7	7.3	-177	0	0	0	0	0	114.1	G128 R193	G128-G131 WeakPolarHBondContact O-CA 3.36Å; G128-G131 PolarHBondContact O-N 3.26Å; G131-R193 PolarHBondContact O-NE 3.42Å; G131-R193 PolarHBondContact O-NH2 2.97Å
132	R	95	Very high	96.5	Very high	167 Å²	167	42.5 Å²	42.5	63%	0.63	21%	0.21	S	C	*	.			trans	-80.2	148.5	179.9	-64.2	-176	-163.6	169.1	6.3	111.4	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.57Å; V127-R132 WeakPolarHBondContact CA-O 3.28Å; V127-R132 WeakPolarHBondContact CB-O 3.25Å; G128-R132 PolarHBondContact N-O 3.01Å; D130-R132 PolarHBondContact O-N 3.12Å; D130-R132 VanDerWaalsContact OD1-CB 3.31Å; D130-R132 WeakPolarHBondContact OD1-CB 3.17Å; D130-R132 WeakPolarHBondContact OD1-CG 3.26Å; D130-R132 PolarHBondContact OD1-N 3.1Å; D130-R132 WeakPolarHBondContact OD2-CD 3.38Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.46Å; D130-R132 IonicContact OD2-CZ 2.73Å; D130-R132 IonicContact OD2-NE 3.98Å; D130-R132 PolarHBondContact OD2-NE 2.95Å; D130-R132 IonicContact OD2-NH1 3.51Å; R132-L134 PolarHBondContact O-N 2.74Å
133	F	97.4	Very high	96.5	Very high	60 Å²	60	44 Å²	44	26%	0.263	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	127.1	175.5	-178.5	-101.9	0	0	0	111.3	C125 R135 G136 L154 L184 E185 V189	C125-F133 HydrophobicContact CB-CD2 4.38Å; C125-F133 HydrophobicContact CB-CE2 4.09Å; F133-R135 VanDerWaalsContact CE2-C 3.45Å; F133-R135 VanDerWaalsContact CE2-O 3.3Å; F133-R135 WeakPolarHBondContact CE2-O 3.21Å; F133-G136 VanDerWaalsContact CZ-N 3.28Å; F133-L154 HydrophobicContact CE1-CD1 3.94Å; F133-L154 HydrophobicContact CZ-CD1 3.68Å; F133-L184 HydrophobicContact CE2-CB 4.46Å; F133-L184 WeakPolarHBondContact CE2-O 3.1Å; F133-E185 HydrophobicContact CD1-CG 4.11Å; F133-E185 HydrophobicContact CE1-CG 3.92Å; F133-E185 HydrophobicContact CE2-CG 4.33Å; F133-E185 HydrophobicContact CG-CG 4.4Å; F133-E185 HydrophobicContact CZ-CG 4.03Å; F133-V189 HydrophobicContact CB-CG2 3.99Å; F133-V189 HydrophobicContact CD2-CG2 3.6Å; F133-V189 HydrophobicContact CG-CG2 4.27Å
134	L	96.4	Very high	96.4	Very high	107 Å²	107	45.7 Å²	45.7	56%	0.56	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	-49.5	173	-67.7	-179.3	0	0	0	111.3	D126 G128 R132	D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 3Å; G128-L134 VanDerWaalsContact CA-CD1 3.46Å; R132-L134 PolarHBondContact O-N 2.74Å
135	R	96.9	Very high	96.4	Very high	91 Å²	91	53.2 Å²	53.2	34%	0.343	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	148.6	-171.4	-171.2	162.3	167.1	149.7	8.2	111.8	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.59Å; C125-R135 VanDerWaalsContact CA-O 3.28Å; C125-R135 WeakPolarHBondContact CA-O 3.33Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 3.34Å; D126-R135 PolarHBondContact O-N 3.21Å; F133-R135 VanDerWaalsContact CE2-C 3.45Å; F133-R135 VanDerWaalsContact CE2-O 3.3Å; F133-R135 WeakPolarHBondContact CE2-O 3.21Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 WeakPolarHBondContact CD-OH 3.5Å; R135-Y137 HydrophobicContact CG-CD2 4.44Å; R135-Y137 HydrophobicContact CG-CE1 4.23Å; R135-Y137 HydrophobicContact CG-CE2 3.71Å; R135-Y137 VanDerWaalsContact NE-CE1 3.29Å; R135-Y137 PolarHBondContact NE-OH 2.82Å; R135-E152 VanDerWaalsContact CZ-CD 3.46Å; R135-E152 IonicContact CZ-OE1 3.43Å; R135-E152 VanDerWaalsContact NH1-CD 3.29Å; R135-E152 IonicContact NH1-OE1 3.87Å; R135-E152 PolarHBondContact NH1-OE1 3.2Å; R135-E152 IonicContact NH1-OE2 2.69Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 IonicContact NH2-OE1 3.01Å; R135-E152 PolarHBondContact NH2-OE1 2.82Å
136	G	97.6	Very high	96.4	Very high	5 Å²	5	59.3 Å²	59.3	5%	0.052	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150	175.8	0	0	0	0	0	110.8	G124 F133	G124-G136 CarbonylContact O-C 3.59Å; G124-G136 WeakPolarHBondContact O-CA 3.37Å; F133-G136 VanDerWaalsContact CZ-N 3.28Å
137	Y	97.6	Very high	96.5	Very high	35 Å²	35	58.6 Å²	58.6	14%	0.137	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.5	-176.1	-57.1	-95.3	0	0	0	110.5	M122 Y123 G124 D126 R135	M122-Y137 HydrophobicContact CE-CD1 4.23Å; M122-Y137 HydrophobicContact CE-CG 4.3Å; M122-Y137 HydrophobicContact SD-CG 4.46Å; Y123-Y137 WeakPolarHBondContact CA-O 3.43Å; Y123-Y137 WeakPolarHBondContact CB-O 3.44Å; G124-Y137 PolarHBondContact N-O 2.84Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 3.44Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.32Å; D126-Y137 PolarHBondContact OD2-OH 3.34Å; R135-Y137 HydrophobicContact CB-CE2 4.07Å; R135-Y137 WeakPolarHBondContact CD-OH 3.5Å; R135-Y137 HydrophobicContact CG-CD2 4.44Å; R135-Y137 HydrophobicContact CG-CE1 4.23Å; R135-Y137 HydrophobicContact CG-CE2 3.71Å; R135-Y137 VanDerWaalsContact NE-CE1 3.29Å; R135-Y137 PolarHBondContact NE-OH 2.82Å
138	R	98.1	Very high	96.6	Very high	10 Å²	10	58.7 Å²	58.7	4%	0.038	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	114	161.8	173.5	64.2	-173.6	-155.6	4.6	107.7	M122 D140 A149 L150 W157	M122-R138 CarbonylContact O-C 3.59Å; M122-R138 WeakPolarHBondContact O-CA 3.4Å; R138-D140 IonicContact CZ-OD1 2.95Å; R138-D140 VanDerWaalsContact CZ-OD1 3.31Å; R138-D140 IonicContact CZ-OD2 2.74Å; R138-D140 IonicContact NE-OD1 3.01Å; R138-D140 PolarHBondContact NE-OD1 3.48Å; R138-D140 IonicContact NE-OD2 3.19Å; R138-D140 IonicContact NH2-OD1 3.27Å; R138-D140 PolarHBondContact NH2-OD1 2.89Å; R138-D140 IonicContact NH2-OD2 3.66Å; R138-D140 PolarHBondContact NH2-OD2 2.64Å; R138-A149 WeakPolarHBondContact O-CA 3.32Å; R138-L150 HydrophobicContact CB-CB 3.88Å; R138-L150 HydrophobicContact CB-CD2 4.23Å; R138-L150 PolarHBondContact O-N 3.29Å; R138-W157 HydrophobicContact CG-CH2 4.13Å; R138-W157 HydrophobicContact CG-CZ3 4.09Å
139	Q	98.4	Very high	96.8	Very high	79 Å²	79	59.9 Å²	59.9	37%	0.369	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.3	-177.5	-61	175.9	10.7	0	0	108.7	I121 M122 A149	I121-Q139 CarbonylContact C-O 3.53Å; I121-Q139 WeakPolarHBondContact CA-O 3.3Å; M122-Q139 HydrophobicContact CE-CB 4.4Å; M122-Q139 HydrophobicContact CE-CG 4.13Å; M122-Q139 PolarHBondContact N-O 3.18Å; M122-Q139 PolarHBondContact O-N 3.34Å; Q139-A149 HydrophobicContact CG-CB 4.04Å
140	D	98.6	Very high	97.2	Very high	16 Å²	16	55.7 Å²	55.7	9%	0.086	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.4	-179.3	-59.5	26.6	0	0	0	107.4	Q120 I121 R138 Y147 I148	Q120-D140 CarbonylContact O-C 3.57Å; Q120-D140 WeakPolarHBondContact O-CA 3.28Å; I121-D140 HydrophobicContact CG1-CB 4.23Å; R138-D140 IonicContact CZ-OD1 2.95Å; R138-D140 VanDerWaalsContact CZ-OD1 3.31Å; R138-D140 IonicContact CZ-OD2 2.74Å; R138-D140 IonicContact NE-OD1 3.01Å; R138-D140 PolarHBondContact NE-OD1 3.48Å; R138-D140 IonicContact NE-OD2 3.19Å; R138-D140 IonicContact NH2-OD1 3.27Å; R138-D140 PolarHBondContact NH2-OD1 2.89Å; R138-D140 IonicContact NH2-OD2 3.66Å; R138-D140 PolarHBondContact NH2-OD2 2.64Å; D140-Y147 WeakPolarHBondContact O-CA 3.46Å; D140-Y147 VanDerWaalsContact O-CB 3.3Å; D140-Y147 WeakPolarHBondContact O-CB 3.02Å; D140-Y147 PolarHBondContact O-N 3.25Å; D140-I148 HydrophobicContact CB-CG2 4Å; D140-I148 PolarHBondContact N-O 2.82Å; D140-I148 PolarHBondContact O-N 2.73Å; D140-I148 VanDerWaalsContact O-N 3.08Å
141	A	98.8	Very high	97.6	Very high	18 Å²	18	53.3 Å²	53.3	15%	0.149	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.3	179.9	0	0	0	0	0	110.3	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.38Å; Q120-A141 HydrophobicContact CB-CB 4.26Å; Q120-A141 PolarHBondContact N-O 3.01Å; Q120-A141 PolarHBondContact O-N 3.44Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.42Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.48Å
142	Y	98.6	Very high	97.9	Very high	11 Å²	11	59 Å²	59	4%	0.043	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.8	179.6	-174.6	-119.8	0	0	0	110.4	L102 L105 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.36Å; L105-Y142 HydrophobicContact CB-CD1 4.4Å; L105-Y142 HydrophobicContact CB-CD2 4.17Å; L105-Y142 HydrophobicContact CB-CE1 4.04Å; L105-Y142 HydrophobicContact CB-CE2 3.82Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.47Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.47Å; L105-Y142 HydrophobicContact CD1-CE2 3.87Å; L105-Y142 HydrophobicContact CD1-CG 3.85Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.51Å; Y109-Y142 HydrophobicContact CD2-CE1 3.51Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CE2-CE1 3.82Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Q111-Y142 PolarHBondContact OE1-OH 2.74Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.29Å; H117-Y142 AromaticContact ND1-CZ 3.91Å; H117-Y142 PolarHBondContact ND1-OH 2.88Å; T118-Y142 CarbonylContact O-C 3.51Å; T118-Y142 WeakPolarHBondContact O-CA 3.36Å; T118-Y142 VanDerWaalsContact O-CD2 3.25Å; T118-Y142 WeakPolarHBondContact O-CD2 3.27Å; I119-Y142 HydrophobicContact CG1-CD2 3.86Å; I119-Y142 HydrophobicContact CG1-CE2 4.28Å; Y142-G144 PolarHBondContact O-N 2.82Å; Y142-K145 PolarHBondContact N-O 3.33Å; Y142-K145 PolarHBondContact O-N 3.21Å
143	D	98.1	Very high	98	Very high	58 Å²	58	54.9 Å²	54.9	31%	0.31	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	40.9	-175.8	-66.3	-18.8	0	0	0	113.1	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.26Å; H117-D143 WeakPolarHBondContact CA-OD1 3.43Å; H117-D143 IonicContact CE1-OD2 3.62Å; H117-D143 IonicContact CG-OD1 2.73Å; H117-D143 IonicContact CG-OD2 3.62Å; H117-D143 IonicContact ND1-OD1 2.88Å; H117-D143 IonicContact ND1-OD2 3.66Å; H117-D143 PolarHBondContact ND1-OD2 3.09Å; T118-D143 PolarHBondContact N-OD1 2.97Å; T118-D143 PolarHBondContact O-N 2.86Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 3.02Å
144	G	97.1	Very high	98	Very high	58 Å²	58	52.3 Å²	52.3	60%	0.598	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	8.9	178.4	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 2.82Å
145	K	98.4	Very high	98	Very high	159 Å²	159	55.4 Å²	55.4	69%	0.691	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.9	177.2	-61.5	178.3	-175.8	175.3	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.42Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.48Å; Y142-K145 PolarHBondContact N-O 3.33Å; Y142-K145 PolarHBondContact O-N 3.21Å; D143-K145 VanDerWaalsContact C-N 3.29Å; D143-K145 PolarHBondContact O-N 3.02Å; K145-Y147 PolarHBondContact O-N 3.05Å
146	D	98.6	Very high	98	Very high	128 Å²	128	52.8 Å²	52.8	68%	0.684	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.5	135.6	173.5	-67.1	-26.6	0	0	0	110.5	A160	D146-A160 HydrophobicContact CB-CB 4.23Å; D146-A160 WeakPolarHBondContact O-CB 3.48Å
147	Y	98.8	Very high	98.1	Very high	12 Å²	12	52.7 Å²	52.7	5%	0.047	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-63.1	179	179.3	-109.7	0	0	0	110.7	L105 Y109 D140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD2 4.36Å; L105-Y147 HydrophobicContact CD2-CE1 3.79Å; L105-Y147 HydrophobicContact CD2-CE2 3.61Å; L105-Y147 VanDerWaalsContact CD2-OH 3.3Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.46Å; Y109-Y147 HydrophobicContact CE2-CD2 4.39Å; Y109-Y147 HydrophobicContact CE2-CE2 4.1Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.3Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.2Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.13Å; D140-Y147 WeakPolarHBondContact O-CA 3.46Å; D140-Y147 VanDerWaalsContact O-CB 3.3Å; D140-Y147 WeakPolarHBondContact O-CB 3.02Å; D140-Y147 PolarHBondContact O-N 3.25Å; K145-Y147 PolarHBondContact O-N 3.05Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 2.84Å; Y147-A163 PolarHBondContact OH-O 2.95Å; Y147-A164 HydrophobicContact CD2-CB 3.77Å; Y147-A164 HydrophobicContact CE1-CB 4.5Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.61Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.29Å; Y147-T167 HydrophobicContact CE1-CG2 4.17Å; Y147-T167 WeakPolarHBondContact OH-CB 3.39Å; Y147-T167 PolarHBondContact OH-OG1 2.87Å
148	I	98.7	Very high	98.1	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	141	178.1	-163	172.7	0	0	0	111.1	D140 W157 T158 T167 K168 W171	D140-I148 HydrophobicContact CB-CG2 4Å; D140-I148 PolarHBondContact N-O 2.82Å; D140-I148 PolarHBondContact O-N 2.73Å; D140-I148 VanDerWaalsContact O-N 3.08Å; I148-W157 HydrophobicContact CD1-CB 4.16Å; I148-W157 HydrophobicContact CD1-CD2 4.49Å; I148-W157 HydrophobicContact CD1-CE3 4.31Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; I148-T158 CarbonylContact C-O 3.56Å; I148-T158 WeakPolarHBondContact CA-O 2.87Å; I148-T158 WeakPolarHBondContact CG1-O 3.39Å; I148-T167 HydrophobicContact CD1-CG2 4.17Å; I148-K168 HydrophobicContact CD1-CB 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4.09Å; I148-W171 HydrophobicContact CD1-CZ3 4.32Å; I148-W171 HydrophobicContact CG2-CH2 4.1Å; I148-W171 HydrophobicContact CG2-CZ3 3.83Å
149	A	98.7	Very high	98.1	Very high	29 Å²	29	54.8 Å²	54.8	24%	0.24	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.9	179.9	0	0	0	0	0	111.7	R138 Q139 W157 T158	R138-A149 WeakPolarHBondContact O-CA 3.32Å; Q139-A149 HydrophobicContact CG-CB 4.04Å; A149-W157 WeakPolarHBondContact O-CA 3.47Å; A149-T158 PolarHBondContact N-O 3.09Å; A149-T158 PolarHBondContact O-N 2.82Å
150	L	98.7	Very high	98.1	Very high	14 Å²	14	54 Å²	54	7%	0.073	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.5	168.5	-175.5	64.9	0	0	0	108.5	R138 L154 W157 A177 R180 L184	R138-L150 HydrophobicContact CB-CB 3.88Å; R138-L150 HydrophobicContact CB-CD2 4.23Å; R138-L150 PolarHBondContact O-N 3.29Å; L150-L154 HydrophobicContact CD2-CD2 3.72Å; L150-L154 HydrophobicContact CG-CD2 4.24Å; L150-W157 HydrophobicContact CB-CE3 3.94Å; L150-W157 HydrophobicContact CB-CH2 4.01Å; L150-W157 HydrophobicContact CB-CZ3 3.57Å; L150-W157 HydrophobicContact CD1-CD2 4.09Å; L150-W157 HydrophobicContact CD1-CE3 4.21Å; L150-W157 HydrophobicContact CD1-CH2 3.98Å; L150-W157 HydrophobicContact CD1-CZ2 3.85Å; L150-W157 HydrophobicContact CD1-CZ3 4.15Å; L150-W157 HydrophobicContact CG-CH2 4.45Å; L150-W157 HydrophobicContact CG-CZ3 4.41Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-R180 HydrophobicContact CD2-CB 4.07Å; L150-L184 HydrophobicContact CD2-CD1 3.82Å
151	N	98.4	Very high	98.1	Very high	45 Å²	45	56 Å²	56	24%	0.241	31%	0.309	C	S	.	.			trans	-72.9	163	179.6	-68	-29.2	0	0	0	111.4	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.8Å; N151-D153 VanDerWaalsContact O-N 3.1Å; N151-L154 PolarHBondContact O-N 2.73Å; N151-S156 WeakPolarHBondContact CB-O 3.21Å; N151-S156 WeakPolarHBondContact CB-OG 3.35Å; N151-S156 PolarHBondContact N-O 3.13Å; N151-S156 PolarHBondContact ND2-O 2.86Å; N151-S156 PolarHBondContact ND2-OG 3.46Å; N151-T158 PolarHBondContact ND2-OG1 3.27Å; N151-T158 WeakPolarHBondContact OD1-CB 3.29Å; N151-T158 PolarHBondContact OD1-OG1 2.78Å
152	E	96.9	Very high	98.1	Very high	135 Å²	135	62.1 Å²	62.1	63%	0.631	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.1	-179.4	-63.9	-176.8	-173.8	0	0	113.3	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.46Å; R135-E152 IonicContact CZ-OE1 3.43Å; R135-E152 VanDerWaalsContact NH1-CD 3.29Å; R135-E152 IonicContact NH1-OE1 3.87Å; R135-E152 PolarHBondContact NH1-OE1 3.2Å; R135-E152 IonicContact NH1-OE2 2.69Å; R135-E152 VanDerWaalsContact NH2-CD 3.34Å; R135-E152 IonicContact NH2-OE1 3.01Å; R135-E152 PolarHBondContact NH2-OE1 2.82Å; E152-L154 PolarHBondContact O-N 3.4Å
153	D	96.8	Very high	98	Very high	79 Å²	79	62 Å²	62	42%	0.422	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.4	174.8	69.3	6.3	0	0	0	114	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.8Å; N151-D153 VanDerWaalsContact O-N 3.1Å; D153-R155 WeakPolarHBondContact O-CG 3.39Å; D153-R155 PolarHBondContact O-N 2.91Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.8Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 2.71Å; D153-S156 PolarHBondContact OD1-OG 2.9Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.74Å
154	L	97.6	Very high	98	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	32%	0.323	C	S	.	.	S	Bend	trans	53	26.4	-174.8	-52.1	178.1	0	0	0	114.1	F133 L150 N151 E152 R181 L184 E185	F133-L154 HydrophobicContact CE1-CD1 3.94Å; F133-L154 HydrophobicContact CZ-CD1 3.68Å; L150-L154 HydrophobicContact CD2-CD2 3.72Å; L150-L154 HydrophobicContact CG-CD2 4.24Å; N151-L154 PolarHBondContact O-N 2.73Å; E152-L154 PolarHBondContact O-N 3.4Å; L154-R181 HydrophobicContact CB-CB 4.13Å; L154-R181 HydrophobicContact CB-CG 3.94Å; L154-R181 HydrophobicContact CD1-CG 4.07Å; L154-L184 HydrophobicContact CD2-CD1 4.04Å; L154-E185 HydrophobicContact CD1-CG 4.03Å
155	R	96.9	Very high	98.1	Very high	172 Å²	172	59.2 Å²	59.2	65%	0.649	31%	0.308	S	S	*	.	S	Bend	trans	-130.2	-31.4	-175.4	-71.1	170.3	-173.4	-121.6	7	112.2	D153 A177	D153-R155 WeakPolarHBondContact O-CG 3.39Å; D153-R155 PolarHBondContact O-N 2.91Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.8Å; R155-A177 WeakPolarHBondContact O-CB 3.48Å
156	S	97.4	Very high	98.1	Very high	36 Å²	36	54.6 Å²	54.6	25%	0.252	29%	0.29	S	S	.	.			trans	-117.7	159.9	-175.8	65	0	0	0	0	112.3	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.21Å; N151-S156 WeakPolarHBondContact CB-OG 3.35Å; N151-S156 PolarHBondContact N-O 3.13Å; N151-S156 PolarHBondContact ND2-O 2.86Å; N151-S156 PolarHBondContact ND2-OG 3.46Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 2.71Å; D153-S156 PolarHBondContact OD1-OG 2.9Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 2.74Å
157	W	98.6	Very high	98.1	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.011	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.4	-178.3	-60.6	92.3	0	0	0	111.5	R138 I148 A149 L150 K168 W171 A176 A177 R180	R138-W157 HydrophobicContact CG-CH2 4.13Å; R138-W157 HydrophobicContact CG-CZ3 4.09Å; I148-W157 HydrophobicContact CD1-CB 4.16Å; I148-W157 HydrophobicContact CD1-CD2 4.49Å; I148-W157 HydrophobicContact CD1-CE3 4.31Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.15Å; A149-W157 WeakPolarHBondContact O-CA 3.47Å; L150-W157 HydrophobicContact CB-CE3 3.94Å; L150-W157 HydrophobicContact CB-CH2 4.01Å; L150-W157 HydrophobicContact CB-CZ3 3.57Å; L150-W157 HydrophobicContact CD1-CD2 4.09Å; L150-W157 HydrophobicContact CD1-CE3 4.21Å; L150-W157 HydrophobicContact CD1-CH2 3.98Å; L150-W157 HydrophobicContact CD1-CZ2 3.85Å; L150-W157 HydrophobicContact CD1-CZ3 4.15Å; L150-W157 HydrophobicContact CG-CH2 4.45Å; L150-W157 HydrophobicContact CG-CZ3 4.41Å; W157-K168 HydrophobicContact CB-CD 4.34Å; W157-K168 HydrophobicContact CB-CG 4.17Å; W157-K168 VanDerWaalsContact O-CE 3.25Å; W157-K168 WeakPolarHBondContact O-CE 3.38Å; W157-K168 PolarHBondContact O-NZ 3.06Å; W157-W171 AromaticContact CD2-CE3 3.83Å; W157-W171 HydrophobicContact CD2-CE3 3.83Å; W157-W171 HydrophobicContact CD2-CZ3 4.32Å; W157-W171 AromaticContact CE2-CE3 3.69Å; W157-W171 AromaticContact CE3-CE3 3.76Å; W157-W171 HydrophobicContact CE3-CE3 3.76Å; W157-W171 AromaticContact CE3-CZ3 3.77Å; W157-W171 HydrophobicContact CE3-CZ3 3.77Å; W157-W171 AromaticContact CH2-CE3 3.47Å; W157-W171 HydrophobicContact CH2-CE3 3.47Å; W157-W171 VanDerWaalsContact CH2-CE3 3.47Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.37Å; W157-W171 HydrophobicContact CH2-CZ3 3.37Å; W157-W171 HydrophobicContact CZ2-CD2 4.47Å; W157-W171 AromaticContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CE3 3.52Å; W157-W171 AromaticContact CZ2-CZ3 3.95Å; W157-W171 HydrophobicContact CZ2-CZ3 3.95Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CH2 4.48Å; W157-W171 AromaticContact CZ3-CZ3 3.28Å; W157-W171 HydrophobicContact CZ3-CZ3 3.28Å; W157-A176 HydrophobicContact CZ2-CB 4.42Å; W157-A177 HydrophobicContact CZ2-CB 4.32Å; W157-R180 HydrophobicContact CH2-CG 4.22Å; W157-R180 HydrophobicContact CZ2-CG 4.44Å
158	T	98.6	Very high	98.1	Very high	75 Å²	75	50.9 Å²	50.9	46%	0.46	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.9	168.8	-66	0	0	0	0	109.1	I148 A149 N151	I148-T158 CarbonylContact C-O 3.56Å; I148-T158 WeakPolarHBondContact CA-O 2.87Å; I148-T158 WeakPolarHBondContact CG1-O 3.39Å; A149-T158 PolarHBondContact N-O 3.09Å; A149-T158 PolarHBondContact O-N 2.82Å; N151-T158 PolarHBondContact ND2-OG1 3.27Å; N151-T158 WeakPolarHBondContact OD1-CB 3.29Å; N151-T158 PolarHBondContact OD1-OG1 2.78Å
159	A	98.6	Very high	98.1	Very high	15 Å²	15	58 Å²	58	12%	0.124	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.9	177.9	0	0	0	0	0	109.4	A164 Q165 K168	A159-A164 HydrophobicContact CB-CB 3.67Å; A159-Q165 HydrophobicContact CB-CG 4.27Å; A159-K168 HydrophobicContact CB-CB 4.28Å; A159-K168 HydrophobicContact CB-CD 4.21Å
160	A	98.4	Very high	98	Very high	62 Å²	62	62.2 Å²	62.2	51%	0.512	31%	0.309	S	S	.	.	S	Bend	trans	-75.7	-31.5	-174.4	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.23Å; D146-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 2.84Å
161	D	97.9	Very high	98	Very high	57 Å²	57	64.3 Å²	64.3	31%	0.305	32%	0.316	S	S	.	.	S	Bend	trans	-148.4	-176	-178.5	68.8	26.8	0	0	0	113.2	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.39Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.22Å; Y109-D161 PolarHBondContact OH-OD1 3.44Å; Y109-D161 VanDerWaalsContact OH-OD1 3.13Å; Y109-D161 PolarHBondContact OH-OD2 2.85Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 3.33Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.32Å; D161-A163 PolarHBondContact OD1-N 2.84Å; D161-A164 PolarHBondContact O-N 2.9Å; D161-A164 PolarHBondContact OD1-N 2.95Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 3.37Å
162	M	97.6	Very high	98	Very high	148 Å²	148	66.1 Å²	66.1	73%	0.729	32%	0.323	S	S	*	.	H	α-helix	trans	-64.9	-30.3	-178.8	-68.5	-57.9	-63.1	0	0	114.1	Q165	M162-Q165 WeakPolarHBondContact O-CB 3.32Å; M162-Q165 PolarHBondContact O-N 3.37Å
163	A	97.6	Very high	98	Very high	9 Å²	9	63.4 Å²	63.4	7%	0.074	32%	0.324	C	S	.	.	H	α-helix	trans	-73.1	-40	175.8	0	0	0	0	0	110.4	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.12Å; Y109-A163 HydrophobicContact CD2-CB 4.41Å; Y109-A163 HydrophobicContact CE1-CB 3.57Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.44Å; Y147-A163 PolarHBondContact OH-O 2.95Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 3.33Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.32Å; D161-A163 PolarHBondContact OD1-N 2.84Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.89Å; A163-I166 WeakPolarHBondContact O-CB 3.35Å; A163-I166 PolarHBondContact O-N 3.08Å; A163-I166 VanDerWaalsContact O-N 3.12Å
164	A	98.4	Very high	98.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-30.8	173.2	0	0	0	0	0	113.1	Y147 A159 D161 I166 T167 K168	Y147-A164 HydrophobicContact CD2-CB 3.77Å; Y147-A164 HydrophobicContact CE1-CB 4.5Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.61Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.29Å; A159-A164 HydrophobicContact CB-CB 3.67Å; D161-A164 PolarHBondContact O-N 2.9Å; D161-A164 PolarHBondContact OD1-N 2.95Å; A164-I166 PolarHBondContact O-N 3.48Å; A164-T167 PolarHBondContact O-N 3.11Å; A164-T167 VanDerWaalsContact O-N 3.13Å; A164-K168 PolarHBondContact O-N 3.01Å
165	Q	98.6	Very high	98	Very high	57 Å²	57	69.4 Å²	69.4	27%	0.266	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-30.4	173.2	-68.1	-68.6	-18.4	0	0	112.7	A159 D161 M162 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.27Å; D161-Q165 WeakPolarHBondContact O-CG 3.39Å; D161-Q165 PolarHBondContact O-N 3.37Å; M162-Q165 WeakPolarHBondContact O-CB 3.32Å; M162-Q165 PolarHBondContact O-N 3.37Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.89Å; Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.47Å; Q165-R169 PolarHBondContact O-N 3.38Å; Q165-R169 VanDerWaalsContact O-N 3.11Å
166	I	98.2	Very high	98	Very high	62 Å²	62	61.9 Å²	61.9	32%	0.318	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-47	176	-56	172.2	0	0	0	109.7	Y108 A163 A164 R169 K170	Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CD2-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CD1 4.41Å; Y108-I166 HydrophobicContact CE1-CG2 4.13Å; Y108-I166 HydrophobicContact CE2-CB 4.14Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.23Å; A163-I166 WeakPolarHBondContact O-CB 3.35Å; A163-I166 PolarHBondContact O-N 3.08Å; A163-I166 VanDerWaalsContact O-N 3.12Å; A164-I166 PolarHBondContact O-N 3.48Å; I166-R169 PolarHBondContact O-N 3.49Å; I166-K170 WeakPolarHBondContact O-CG 3.01Å; I166-K170 PolarHBondContact O-N 3.25Å
167	T	98.3	Very high	98	Very high	17 Å²	17	60.5 Å²	60.5	10%	0.104	32%	0.32	C	S	.	.	H	α-helix	trans	-65.2	-43.6	177.3	-66.1	0	0	0	0	111.5	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.17Å; Y147-T167 WeakPolarHBondContact OH-CB 3.39Å; Y147-T167 PolarHBondContact OH-OG1 2.87Å; I148-T167 HydrophobicContact CD1-CG2 4.17Å; A164-T167 PolarHBondContact O-N 3.11Å; A164-T167 VanDerWaalsContact O-N 3.13Å; T167-R169 PolarHBondContact O-N 3.13Å; T167-K170 WeakPolarHBondContact O-CB 3.01Å; T167-K170 PolarHBondContact O-N 3.27Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.93Å; T167-W171 HydrophobicContact CG2-CE3 4.45Å; T167-W171 HydrophobicContact CG2-CG 4.23Å; T167-W171 HydrophobicContact CG2-CZ2 4.05Å; T167-W171 WeakPolarHBondContact O-CB 3.21Å; T167-W171 PolarHBondContact O-N 3.4Å
168	K	98.6	Very high	98	Very high	45 Å²	45	66.4 Å²	66.4	20%	0.196	35%	0.348	C	S	.	.	H	α-helix	trans	-51.6	-52.5	175	175.2	171.1	175.6	170.3	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-K168 HydrophobicContact CD1-CB 3.9Å; W157-K168 HydrophobicContact CB-CD 4.34Å; W157-K168 HydrophobicContact CB-CG 4.17Å; W157-K168 VanDerWaalsContact O-CE 3.25Å; W157-K168 WeakPolarHBondContact O-CE 3.38Å; W157-K168 PolarHBondContact O-NZ 3.06Å; A159-K168 HydrophobicContact CB-CB 4.28Å; A159-K168 HydrophobicContact CB-CD 4.21Å; A164-K168 PolarHBondContact O-N 3.01Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 3.42Å; K168-W171 PolarHBondContact O-N 2.9Å; K168-E172 WeakPolarHBondContact CE-OE1 3.46Å; K168-E172 HydrophobicContact CG-CG 4.38Å; K168-E172 IonicContact NZ-OE1 3.04Å; K168-E172 WeakPolarHBondContact O-CB 3.41Å; K168-E172 WeakPolarHBondContact O-CG 3.43Å; K168-E172 PolarHBondContact O-N 3.39Å
169	R	98.5	Very high	97.8	Very high	153 Å²	153	69.8 Å²	69.8	58%	0.577	36%	0.358	S	S	*	.	H	α-helix	trans	-60.2	-41	179.1	-68.7	169.9	-168.7	161.3	3.9	112.5	Q165 I166 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.32Å; Q165-R169 WeakPolarHBondContact O-CG 3.47Å; Q165-R169 PolarHBondContact O-N 3.38Å; Q165-R169 VanDerWaalsContact O-N 3.11Å; I166-R169 PolarHBondContact O-N 3.49Å; T167-R169 PolarHBondContact O-N 3.13Å; R169-A173 WeakPolarHBondContact O-CB 3.48Å; R169-A173 PolarHBondContact O-N 2.88Å
170	K	97.9	Very high	97.7	Very high	116 Å²	116	73.3 Å²	73.3	50%	0.504	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-43.3	176.9	-73.6	179.1	174.1	-175.2	0	111.6	Y108 I166 T167 K168 V174	Y108-K170 PolarHBondContact OH-NZ 2.82Å; I166-K170 WeakPolarHBondContact O-CG 3.01Å; I166-K170 PolarHBondContact O-N 3.25Å; T167-K170 WeakPolarHBondContact O-CB 3.01Å; T167-K170 PolarHBondContact O-N 3.27Å; T167-K170 VanDerWaalsContact O-N 3.13Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 3.42Å; K170-V174 WeakPolarHBondContact O-CG2 3.4Å; K170-V174 PolarHBondContact O-N 2.59Å
171	W	98	Very high	97.7	Very high	58 Å²	58	74 Å²	74	22%	0.22	36%	0.358	C	S	.	.	H	α-helix	trans	-71.2	-36.9	-179.6	-77.4	11.7	0	0	0	112.7	I148 W157 T167 K168 V174 H175 A176	I148-W171 HydrophobicContact CD1-CE3 4.09Å; I148-W171 HydrophobicContact CD1-CZ3 4.32Å; I148-W171 HydrophobicContact CG2-CH2 4.1Å; I148-W171 HydrophobicContact CG2-CZ3 3.83Å; W157-W171 AromaticContact CD2-CE3 3.83Å; W157-W171 HydrophobicContact CD2-CE3 3.83Å; W157-W171 HydrophobicContact CD2-CZ3 4.32Å; W157-W171 AromaticContact CE2-CE3 3.69Å; W157-W171 AromaticContact CE3-CE3 3.76Å; W157-W171 HydrophobicContact CE3-CE3 3.76Å; W157-W171 AromaticContact CE3-CZ3 3.77Å; W157-W171 HydrophobicContact CE3-CZ3 3.77Å; W157-W171 AromaticContact CH2-CE3 3.47Å; W157-W171 HydrophobicContact CH2-CE3 3.47Å; W157-W171 VanDerWaalsContact CH2-CE3 3.47Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.37Å; W157-W171 HydrophobicContact CH2-CZ3 3.37Å; W157-W171 HydrophobicContact CZ2-CD2 4.47Å; W157-W171 AromaticContact CZ2-CE3 3.52Å; W157-W171 HydrophobicContact CZ2-CE3 3.52Å; W157-W171 AromaticContact CZ2-CZ3 3.95Å; W157-W171 HydrophobicContact CZ2-CZ3 3.95Å; W157-W171 AromaticContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CE3 3.61Å; W157-W171 HydrophobicContact CZ3-CH2 4.48Å; W157-W171 AromaticContact CZ3-CZ3 3.28Å; W157-W171 HydrophobicContact CZ3-CZ3 3.28Å; T167-W171 HydrophobicContact CG2-CD2 3.93Å; T167-W171 HydrophobicContact CG2-CE3 4.45Å; T167-W171 HydrophobicContact CG2-CG 4.23Å; T167-W171 HydrophobicContact CG2-CZ2 4.05Å; T167-W171 WeakPolarHBondContact O-CB 3.21Å; T167-W171 PolarHBondContact O-N 3.4Å; K168-W171 PolarHBondContact O-N 2.9Å; W171-V174 PolarHBondContact O-N 3.13Å; W171-H175 PolarHBondContact O-N 2.93Å; W171-H175 VanDerWaalsContact O-N 3.15Å; W171-A176 HydrophobicContact CB-CB 3.85Å; W171-A176 HydrophobicContact CD2-CB 4.48Å; W171-A176 HydrophobicContact CG-CB 4.04Å; W171-A176 WeakPolarHBondContact O-CB 3.35Å; W171-A176 PolarHBondContact O-N 3.1Å
172	E	98.2	Very high	97.7	Very high	84 Å²	84	76.2 Å²	76.2	39%	0.393	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-42.3	173.4	-73.4	173.3	162.1	0	0	111.6	K168 V174 H175	K168-E172 WeakPolarHBondContact CE-OE1 3.46Å; K168-E172 HydrophobicContact CG-CG 4.38Å; K168-E172 IonicContact NZ-OE1 3.04Å; K168-E172 WeakPolarHBondContact O-CB 3.41Å; K168-E172 WeakPolarHBondContact O-CG 3.43Å; K168-E172 PolarHBondContact O-N 3.39Å; E172-V174 PolarHBondContact O-N 3.15Å; E172-H175 PolarHBondContact O-N 2.97Å; E172-H175 VanDerWaalsContact O-N 3.12Å
173	A	98.1	Very high	97.6	Very high	78 Å²	78	71.1 Å²	71.1	65%	0.645	35%	0.346	S	S	*	.	H	α-helix	trans	-62.7	-23.7	179	0	0	0	0	0	114	R169	R169-A173 WeakPolarHBondContact O-CB 3.48Å; R169-A173 PolarHBondContact O-N 2.88Å
174	V	97.6	Very high	97.7	Very high	96 Å²	96	70.8 Å²	70.8	58%	0.582	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	12.8	178.5	-55.3	0	0	0	0	112.8	K170 W171 E172 A176	K170-V174 WeakPolarHBondContact O-CG2 3.4Å; K170-V174 PolarHBondContact O-N 2.59Å; W171-V174 PolarHBondContact O-N 3.13Å; E172-V174 PolarHBondContact O-N 3.15Å; V174-A176 HydrophobicContact CG2-CB 4.19Å; V174-A176 PolarHBondContact O-N 3.25Å
175	H	96.6	Very high	97.7	Very high	115 Å²	115	74.4 Å²	74.4	53%	0.532	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	38.6	179.6	-55.9	-73.3	0	0	0	113.9	W171 E172 A177 E178	W171-H175 PolarHBondContact O-N 2.93Å; W171-H175 VanDerWaalsContact O-N 3.15Å; E172-H175 PolarHBondContact O-N 2.97Å; E172-H175 VanDerWaalsContact O-N 3.12Å; H175-A177 PolarHBondContact O-N 3.45Å; H175-A177 VanDerWaalsContact O-N 3.07Å; H175-E178 HydrophobicContact CB-CG 4.2Å; H175-E178 WeakPolarHBondContact O-CB 3.43Å; H175-E178 PolarHBondContact O-N 3.39Å
176	A	97	Very high	97.6	Very high	13 Å²	13	72.8 Å²	72.8	11%	0.107	36%	0.359	C	S	.	.	H	α-helix	trans	-58.6	-27.6	-175.4	0	0	0	0	0	113.3	W157 W171 V174 E178 Q179 R180	W157-A176 HydrophobicContact CZ2-CB 4.42Å; W171-A176 HydrophobicContact CB-CB 3.85Å; W171-A176 HydrophobicContact CD2-CB 4.48Å; W171-A176 HydrophobicContact CG-CB 4.04Å; W171-A176 WeakPolarHBondContact O-CB 3.35Å; W171-A176 PolarHBondContact O-N 3.1Å; V174-A176 HydrophobicContact CG2-CB 4.19Å; V174-A176 PolarHBondContact O-N 3.25Å; A176-E178 VanDerWaalsContact C-N 3.3Å; A176-E178 PolarHBondContact O-N 3.21Å; A176-Q179 PolarHBondContact O-N 3.36Å; A176-R180 WeakPolarHBondContact O-CG 3.29Å; A176-R180 PolarHBondContact O-N 2.94Å
177	A	97.8	Very high	97.5	Very high	7 Å²	7	77.9 Å²	77.9	6%	0.058	37%	0.374	C	S	.	.	H	α-helix	trans	-60.7	-37.5	175.4	0	0	0	0	0	112.2	L150 R155 W157 H175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; R155-A177 WeakPolarHBondContact O-CB 3.48Å; W157-A177 HydrophobicContact CZ2-CB 4.32Å; H175-A177 PolarHBondContact O-N 3.45Å; H175-A177 VanDerWaalsContact O-N 3.07Å; A177-Q179 PolarHBondContact O-N 2.89Å; A177-R180 PolarHBondContact O-N 3.45Å; A177-R181 WeakPolarHBondContact O-CB 3.45Å; A177-R181 PolarHBondContact O-N 3.35Å
178	E	96.9	Very high	97.5	Very high	127 Å²	127	77.1 Å²	77.1	59%	0.593	37%	0.369	S	S	*	.	H	α-helix	trans	-65	-43.5	-179.7	-62.6	-177.6	170.4	0	0	111.4	H175 A176 R180 R181 V182	H175-E178 HydrophobicContact CB-CG 4.2Å; H175-E178 WeakPolarHBondContact O-CB 3.43Å; H175-E178 PolarHBondContact O-N 3.39Å; A176-E178 VanDerWaalsContact C-N 3.3Å; A176-E178 PolarHBondContact O-N 3.21Å; E178-R180 VanDerWaalsContact C-N 3.32Å; E178-R180 PolarHBondContact O-N 2.88Å; E178-R181 PolarHBondContact O-N 3.44Å; E178-V182 WeakPolarHBondContact O-CG2 3.35Å; E178-V182 PolarHBondContact O-N 2.86Å
179	Q	94.7	Very high	97.5	Very high	147 Å²	147	75.1 Å²	75.1	69%	0.687	36%	0.361	S	S	*	.	H	α-helix	trans	-62.3	-40.5	175.9	-64.8	-178.1	-10.1	0	0	111.8	A176 A177 Y183	A176-Q179 PolarHBondContact O-N 3.36Å; A177-Q179 PolarHBondContact O-N 2.89Å; Q179-Y183 PolarHBondContact O-N 3.1Å
180	R	97.1	Very high	97.5	Very high	88 Å²	88	72.2 Å²	72.2	33%	0.332	36%	0.357	S	S	.	.	H	α-helix	trans	-66.1	-44.2	175.9	-66.4	-61.5	177	-165.8	-2.4	111.3	L150 W157 A176 A177 E178 V182 Y183 L184	L150-R180 HydrophobicContact CD2-CB 4.07Å; W157-R180 HydrophobicContact CH2-CG 4.22Å; W157-R180 HydrophobicContact CZ2-CG 4.44Å; A176-R180 WeakPolarHBondContact O-CG 3.29Å; A176-R180 PolarHBondContact O-N 2.94Å; A177-R180 PolarHBondContact O-N 3.45Å; E178-R180 VanDerWaalsContact C-N 3.32Å; E178-R180 PolarHBondContact O-N 2.88Å; R180-V182 PolarHBondContact O-N 3.14Å; R180-Y183 PolarHBondContact O-N 3.42Å; R180-L184 WeakPolarHBondContact O-CB 3.4Å; R180-L184 WeakPolarHBondContact O-CG 3.22Å; R180-L184 PolarHBondContact O-N 2.96Å
181	R	97.8	Very high	97.4	Very high	76 Å²	76	67.3 Å²	67.3	29%	0.287	34%	0.339	S	S	.	.	H	α-helix	trans	-58.1	-46.8	176.8	-174.8	174.6	178.4	-144.7	-15.2	112.2	L154 A177 E178 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.13Å; L154-R181 HydrophobicContact CB-CG 3.94Å; L154-R181 HydrophobicContact CD1-CG 4.07Å; A177-R181 WeakPolarHBondContact O-CB 3.45Å; A177-R181 PolarHBondContact O-N 3.35Å; E178-R181 PolarHBondContact O-N 3.44Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.5Å; R181-L184 PolarHBondContact O-N 3.07Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 IonicContact CZ-OE1 2.79Å; R181-E185 IonicContact CZ-OE2 3.02Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.12Å; R181-E185 PolarHBondContact NE-OE1 3.46Å; R181-E185 IonicContact NE-OE2 2.89Å; R181-E185 PolarHBondContact NE-OE2 2.86Å; R181-E185 IonicContact NH2-OE1 2.69Å; R181-E185 PolarHBondContact NH2-OE1 3.13Å; R181-E185 IonicContact NH2-OE2 3.82Å; R181-E185 PolarHBondContact NH2-OE2 3.27Å; R181-E185 WeakPolarHBondContact O-CB 3.22Å; R181-E185 PolarHBondContact O-N 3.16Å
182	V	97.6	Very high	97.4	Very high	105 Å²	105	64.6 Å²	64.6	64%	0.636	33%	0.329	S	S	*	.	H	α-helix	trans	-59	-40	177	170.8	0	0	0	0	111.9	E178 R180 G186	E178-V182 WeakPolarHBondContact O-CG2 3.35Å; E178-V182 PolarHBondContact O-N 2.86Å; R180-V182 PolarHBondContact O-N 3.14Å; V182-G186 PolarHBondContact O-N 3.18Å
183	Y	97.2	Very high	97.3	Very high	41 Å²	41	65.8 Å²	65.8	16%	0.161	33%	0.33	C	S	.	.	I	π-helix	trans	-67.8	-47.3	174.7	171.3	-94.4	0	0	0	112	Y123 Q179 R180 R181 R187 C188	Y123-Y183 AromaticContact CD2-CE1 3.82Å; Y123-Y183 HydrophobicContact CD2-CE1 3.82Å; Y123-Y183 AromaticContact CE2-CE1 3.94Å; Y123-Y183 HydrophobicContact CE2-CE1 3.94Å; Q179-Y183 PolarHBondContact O-N 3.1Å; R180-Y183 PolarHBondContact O-N 3.42Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.5Å; Y183-R187 HydrophobicContact CD2-CB 3.91Å; Y183-R187 HydrophobicContact CE2-CB 4.18Å; Y183-R187 PolarHBondContact O-N 3.29Å; Y183-R187 VanDerWaalsContact O-N 3.15Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.42Å; Y183-C188 PolarHBondContact O-N 3.49Å
184	L	98.4	Very high	97.2	Very high	2 Å²	2	68 Å²	68	1%	0.01	32%	0.321	C	S	.	.	I	π-helix	trans	-69.6	-43.3	-173.2	-69.6	171.5	0	0	0	112.8	G124 F133 L150 L154 R180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.11Å; F133-L184 HydrophobicContact CE2-CB 4.46Å; F133-L184 WeakPolarHBondContact CE2-O 3.1Å; L150-L184 HydrophobicContact CD2-CD1 3.82Å; L154-L184 HydrophobicContact CD2-CD1 4.04Å; R180-L184 WeakPolarHBondContact O-CB 3.4Å; R180-L184 WeakPolarHBondContact O-CG 3.22Å; R180-L184 PolarHBondContact O-N 2.96Å; R181-L184 PolarHBondContact O-N 3.07Å; L184-V189 WeakPolarHBondContact O-CG2 3.34Å
185	E	98.1	Very high	97.2	Very high	76 Å²	76	64 Å²	64	36%	0.355	30%	0.296	S	S	.	.	I	π-helix	trans	-79.4	-21.9	179.2	-67.5	-178.5	174.9	0	0	112.7	F133 L154 R181	F133-E185 HydrophobicContact CD1-CG 4.11Å; F133-E185 HydrophobicContact CE1-CG 3.92Å; F133-E185 HydrophobicContact CE2-CG 4.33Å; F133-E185 HydrophobicContact CG-CG 4.4Å; F133-E185 HydrophobicContact CZ-CG 4.03Å; L154-E185 HydrophobicContact CD1-CG 4.03Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 IonicContact CZ-OE1 2.79Å; R181-E185 IonicContact CZ-OE2 3.02Å; R181-E185 VanDerWaalsContact NE-CD 3.32Å; R181-E185 IonicContact NE-OE1 3.12Å; R181-E185 PolarHBondContact NE-OE1 3.46Å; R181-E185 IonicContact NE-OE2 2.89Å; R181-E185 PolarHBondContact NE-OE2 2.86Å; R181-E185 IonicContact NH2-OE1 2.69Å; R181-E185 PolarHBondContact NH2-OE1 3.13Å; R181-E185 IonicContact NH2-OE2 3.82Å; R181-E185 PolarHBondContact NH2-OE2 3.27Å; R181-E185 WeakPolarHBondContact O-CB 3.22Å; R181-E185 PolarHBondContact O-N 3.16Å
186	G	97.4	Very high	97.2	Very high	23 Å²	23	59.2 Å²	59.2	24%	0.237	27%	0.274	C	S	.	.	I	π-helix	trans	-109.6	-93	-177.7	0	0	0	0	0	112.6	V182 C188 V189 D190	V182-G186 PolarHBondContact O-N 3.18Å; G186-C188 PolarHBondContact O-N 3.34Å; G186-C188 VanDerWaalsContact O-N 3.1Å; G186-V189 PolarHBondContact O-N 3.43Å; G186-D190 PolarHBondContact O-N 2.88Å
187	R	96.6	Very high	97.1	Very high	169 Å²	169	64.8 Å²	64.8	64%	0.638	30%	0.298	S	S	*	.	I	π-helix	trans	-53.7	-36.9	-170.8	-73.1	-167.8	-71.7	174.1	-1.9	114.3	Y183 G191	Y183-R187 HydrophobicContact CD2-CB 3.91Å; Y183-R187 HydrophobicContact CE2-CB 4.18Å; Y183-R187 PolarHBondContact O-N 3.29Å; Y183-R187 VanDerWaalsContact O-N 3.15Å; R187-G191 PolarHBondContact O-N 2.86Å
188	C	98.1	Very high	97	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-48.3	177.1	-175	0	0	0	0	111.2	M29 C125 Y183 G186 G191 L192	M29-C188 HydrophobicContact CE-CB 4.15Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 VanDerWaalsContact CE-SG 3.51Å; C125-C188 HydrophobicContact CB-CB 3.87Å; C125-C188 WeakPolarHBondContact CB-SG 3.3Å; C125-C188 PolarHBondContact N-SG 2.82Å; C125-C188 WeakPolarHBondContact SG-CB 3.13Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.26Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.42Å; Y183-C188 PolarHBondContact O-N 3.49Å; G186-C188 PolarHBondContact O-N 3.34Å; G186-C188 VanDerWaalsContact O-N 3.1Å; C188-G191 PolarHBondContact O-N 3.19Å; C188-L192 WeakPolarHBondContact O-CB 3.02Å; C188-L192 PolarHBondContact O-N 3.29Å
189	V	98.3	Very high	96.9	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-44.4	178.7	173.4	0	0	0	0	111.2	C125 V127 F133 L184 G186 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.49Å; V127-V189 HydrophobicContact CG1-CB 4.4Å; V127-V189 HydrophobicContact CG1-CG1 3.92Å; V127-V189 HydrophobicContact CG1-CG2 4.07Å; F133-V189 HydrophobicContact CB-CG2 3.99Å; F133-V189 HydrophobicContact CD2-CG2 3.6Å; F133-V189 HydrophobicContact CG-CG2 4.27Å; L184-V189 WeakPolarHBondContact O-CG2 3.34Å; G186-V189 PolarHBondContact O-N 3.43Å; V189-L192 PolarHBondContact O-N 2.88Å; V189-R193 WeakPolarHBondContact O-CG 3.35Å; V189-R193 PolarHBondContact O-N 3.12Å
190	D	97.6	Very high	96.8	Very high	93 Å²	93	59.1 Å²	59.1	50%	0.497	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-43.1	178.8	-67.4	-26.5	0	0	0	111.5	G186 R194	G186-D190 PolarHBondContact O-N 2.88Å; D190-R194 WeakPolarHBondContact O-CB 3.2Å; D190-R194 PolarHBondContact O-N 3.07Å
191	G	96.7	Very high	96.6	Very high	13 Å²	13	63.7 Å²	63.7	13%	0.134	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-48.5	174.2	0	0	0	0	0	112.1	R187 C188 R193 R194 Y195	R187-G191 PolarHBondContact O-N 2.86Å; C188-G191 PolarHBondContact O-N 3.19Å; G191-R193 PolarHBondContact O-N 3.15Å; G191-R194 WeakPolarHBondContact O-CB 3.01Å; G191-R194 PolarHBondContact O-N 3.18Å; G191-Y195 VanDerWaalsContact O-CD2 3.28Å; G191-Y195 WeakPolarHBondContact O-CD2 3.47Å; G191-Y195 PolarHBondContact O-N 2.04Å
192	L	97.9	Very high	96.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-46.5	178.4	176	53.1	0	0	0	111.8	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.39Å; H27-L192 HydrophobicContact CB-CD2 4.47Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.15Å; M29-L192 HydrophobicContact CB-CG 4.3Å; M29-L192 HydrophobicContact CE-CB 4.45Å; V52-L192 HydrophobicContact CG1-CD1 3.57Å; V52-L192 HydrophobicContact CG2-CD1 4.24Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.95Å; V127-L192 HydrophobicContact CG2-CD2 3.59Å; V127-L192 HydrophobicContact CG2-CG 4.18Å; C188-L192 WeakPolarHBondContact O-CB 3.02Å; C188-L192 PolarHBondContact O-N 3.29Å; V189-L192 PolarHBondContact O-N 2.88Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 2.92Å; L192-Y195 PolarHBondContact O-N 3.45Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.86Å; L192-L196 HydrophobicContact CG-CD1 3.96Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.27Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.42Å
193	R	96.6	Very high	96	Very high	110 Å²	110	57.6 Å²	57.6	42%	0.415	27%	0.268	S	S	.	.	H	α-helix	trans	-58.5	-44.3	175.9	-73.4	175.2	-177.3	170.2	0.1	112	G131 V189 G191 Y195 L196 E197	G131-R193 PolarHBondContact O-NE 3.42Å; G131-R193 PolarHBondContact O-NH2 2.97Å; V189-R193 WeakPolarHBondContact O-CG 3.35Å; V189-R193 PolarHBondContact O-N 3.12Å; G191-R193 PolarHBondContact O-N 3.15Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 3.18Å; R193-L196 PolarHBondContact O-N 3.23Å; R193-E197 PolarHBondContact O-N 3.19Å; R193-E197 VanDerWaalsContact O-N 3.1Å
194	R	96.1	Very high	95.7	Very high	123 Å²	123	59.8 Å²	59.8	46%	0.464	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-44.2	177.2	-175.5	179	-174.5	-152.3	-8.1	111.4	E79 D190 G191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH1 3.32Å; E79-R194 IonicContact OE1-CZ 3.88Å; E79-R194 IonicContact OE1-NE 3.67Å; E79-R194 PolarHBondContact OE1-NE 2.9Å; E79-R194 IonicContact OE1-NH1 2.71Å; E79-R194 PolarHBondContact OE1-NH1 3.25Å; E79-R194 VanDerWaalsContact OE1-NH1 3.12Å; E79-R194 IonicContact OE1-NH2 2.74Å; E79-R194 PolarHBondContact OE1-NH2 3.01Å; E79-R194 IonicContact OE2-CZ 3.73Å; E79-R194 IonicContact OE2-NH1 3.33Å; E79-R194 PolarHBondContact OE2-NH1 3.1Å; E79-R194 IonicContact OE2-NH2 2.78Å; E79-R194 PolarHBondContact OE2-NH2 2.82Å; D190-R194 WeakPolarHBondContact O-CB 3.2Å; D190-R194 PolarHBondContact O-N 3.07Å; G191-R194 WeakPolarHBondContact O-CB 3.01Å; G191-R194 PolarHBondContact O-N 3.18Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 2.92Å; R194-E197 PolarHBondContact O-N 3.44Å; R194-N198 WeakPolarHBondContact O-CB 3.36Å; R194-N198 PolarHBondContact O-N 2.89Å; R194-N198 PolarHBondContact O-OD1 3Å
195	Y	96.9	Very high	95.4	Very high	13 Å²	13	63.5 Å²	63.5	5%	0.051	29%	0.293	C	S	.	.	H	α-helix	trans	-69.3	-37	-179.9	-59.9	-23	0	0	0	112.7	M29 V52 F57 W75 I76 Y83 G191 L192 R193 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.57Å; M29-Y195 VanDerWaalsContact SD-CE2 3.57Å; V52-Y195 HydrophobicContact CG2-CD2 4.04Å; F57-Y195 HydrophobicContact CD2-CE2 4.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.1Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CZ-CD2 4.22Å; F57-Y195 AromaticContact CZ-CE2 3.83Å; F57-Y195 HydrophobicContact CZ-CE2 3.83Å; W75-Y195 HydrophobicContact CH2-CG 4.37Å; W75-Y195 HydrophobicContact CZ3-CD1 4.05Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.75Å; W75-Y195 HydrophobicContact CZ3-CG 3.75Å; I76-Y195 HydrophobicContact CD1-CD1 3.71Å; I76-Y195 HydrophobicContact CD1-CE1 3.38Å; I76-Y195 HydrophobicContact CD1-CG 4.46Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.48Å; Y83-Y195 PolarHBondContact OH-OH 2.9Å; G191-Y195 VanDerWaalsContact O-CD2 3.28Å; G191-Y195 WeakPolarHBondContact O-CD2 3.47Å; G191-Y195 PolarHBondContact O-N 2.04Å; L192-Y195 PolarHBondContact O-N 3.45Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 3.18Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.44Å; Y195-N198 PolarHBondContact O-N 3.2Å; Y195-G199 PolarHBondContact O-N 2.9Å; Y195-L203 WeakPolarHBondContact O-CD1 3.35Å
196	L	95.9	Very high	95.1	Very high	15 Å²	15	62.8 Å²	62.8	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-35.1	173.6	-71.9	168.8	0	0	0	112.7	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.66Å; H27-L196 HydrophobicContact CB-CD2 4.05Å; H27-L196 HydrophobicContact CB-CG 4.43Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.45Å; V52-L196 HydrophobicContact CG1-CD2 4.08Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.86Å; L192-L196 HydrophobicContact CG-CD1 3.96Å; L192-L196 HydrophobicContact CG-CG 4.44Å; L192-L196 WeakPolarHBondContact O-CB 3.27Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 3.42Å; R193-L196 PolarHBondContact O-N 3.23Å; L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.35Å; L196-K200 WeakPolarHBondContact O-CB 3.4Å; L196-K200 PolarHBondContact O-N 3Å; L196-K200 VanDerWaalsContact O-N 3.13Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; L196-Q204 PolarHBondContact O-NE2 2.88Å
197	E	95.3	Very high	95	Very high	129 Å²	129	64 Å²	64	60%	0.603	30%	0.295	S	S	*	.	H	α-helix	trans	-72.2	-48.3	174.2	-172	60	-151.5	0	0	111	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.19Å; R193-E197 VanDerWaalsContact O-N 3.1Å; R194-E197 PolarHBondContact O-N 3.44Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.44Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.04Å; E197-K200 WeakPolarHBondContact O-CB 3.46Å; E197-K200 PolarHBondContact O-N 2.88Å
198	N	95.9	Very high	95	Very high	50 Å²	50	59.2 Å²	59.2	27%	0.267	29%	0.286	S	S	.	.	H	α-helix	trans	-58.4	-42.3	178.4	-72.2	-2.4	0	0	0	112.7	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 2.82Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.12Å; Q78-N198 PolarHBondContact NE2-OD1 2.71Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.16Å; E79-N198 PolarHBondContact OE1-ND2 2.82Å; R194-N198 WeakPolarHBondContact O-CB 3.36Å; R194-N198 PolarHBondContact O-N 2.89Å; R194-N198 PolarHBondContact O-OD1 3Å; Y195-N198 PolarHBondContact O-N 3.2Å
199	G	95	Very high	95	Very high	3 Å²	3	59.6 Å²	59.6	3%	0.031	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	19.3	-175.3	0	0	0	0	0	113.8	Y195 E197 E201 T202 L203	Y195-G199 PolarHBondContact O-N 2.9Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 3.04Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.98Å; G199-E201 VanDerWaalsContact O-N 3.14Å; G199-T202 PolarHBondContact O-N 2.62Å; G199-L203 PolarHBondContact O-N 2.85Å
200	K	93.1	Very high	95	Very high	110 Å²	110	66.8 Å²	66.8	48%	0.478	32%	0.32	S	S	.	.	H	α-helix	trans	-48.8	-44.8	-171.2	-177.3	173.3	-175.5	173	0	114.1	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.22Å; L196-K200 WeakPolarHBondContact O-CA 3.35Å; L196-K200 WeakPolarHBondContact O-CB 3.4Å; L196-K200 PolarHBondContact O-N 3Å; L196-K200 VanDerWaalsContact O-N 3.13Å; E197-K200 WeakPolarHBondContact O-CB 3.46Å; E197-K200 PolarHBondContact O-N 2.88Å; K200-T202 PolarHBondContact O-N 3.2Å; K200-Q204 WeakPolarHBondContact O-CB 3.49Å; K200-Q204 PolarHBondContact O-N 3.13Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
201	E	91.5	Very high	95	Very high	183 Å²	183	64.2 Å²	64.2	86%	0.855	31%	0.307	S	S	*	.	H	α-helix	trans	-65.4	-23.7	-179.8	-62.8	-174.8	166.1	0	0	113.6	G199	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.98Å; G199-E201 VanDerWaalsContact O-N 3.14Å
202	T	91.5	Very high	94.8	Very high	49 Å²	49	67.4 Å²	67.4	30%	0.301	32%	0.318	S	S	.	.	H	α-helix	trans	-103.6	-42.5	-178	-53.1	0	0	0	0	112.6	G199 K200 R205	G199-T202 PolarHBondContact O-N 2.62Å; K200-T202 PolarHBondContact O-N 3.2Å; T202-R205 WeakPolarHBondContact O-CD 3.36Å; T202-R205 VanDerWaalsContact O-CG 3.27Å; T202-R205 WeakPolarHBondContact O-CG 3.35Å; T202-R205 PolarHBondContact O-NE 2.93Å
203	L	92	Very high	94.7	Very high	5 Å²	5	68.6 Å²	68.6	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-85.6	-27.3	-172.6	-63.5	172.3	0	0	0	112.9	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.28Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.12Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.24Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.01Å; W75-L203 HydrophobicContact CZ2-CG 4.3Å; Y195-L203 WeakPolarHBondContact O-CD1 3.35Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.3Å; G199-L203 PolarHBondContact O-N 2.85Å
204	Q	90.6	Very high	94.6	Very high	86 Å²	86	65.1 Å²	65.1	40%	0.402	32%	0.315	S	S	.	.	S	Bend	trans	-105.3	16.3	178.1	-56.3	178.2	35	0	0	111.8	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.88Å; K200-Q204 WeakPolarHBondContact O-CB 3.49Å; K200-Q204 PolarHBondContact O-N 3.13Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
205	R	92.1	Very high	94.5	Very high	80 Å²	80	62.1 Å²	62.1	30%	0.302	31%	0.306	S	S	.	.			trans	-81.5	152.7	172	81.5	-171.9	170.9	169.4	4.9	109.7	T202 D207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.36Å; T202-R205 VanDerWaalsContact O-CG 3.27Å; T202-R205 WeakPolarHBondContact O-CG 3.35Å; T202-R205 PolarHBondContact O-NE 2.93Å; R205-D207 IonicContact CZ-OD2 3.02Å; R205-D207 IonicContact NE-OD2 3.28Å; R205-D207 PolarHBondContact NE-OD2 2.84Å; R205-D207 IonicContact NH1-OD2 3.52Å; R205-Y233 HydrophobicContact CG-CD1 3.8Å; R205-Y233 HydrophobicContact CG-CE1 4.16Å; R205-Y233 VanDerWaalsContact O-CD1 3.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.17Å
206	T	93	Very high	94.3	Very high	62 Å²	62	64.9 Å²	64.9	38%	0.38	32%	0.32	S	S	.	.			trans	-128.3	112.7	170.9	55	0	0	0	0	108.3	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.48Å; T206-E288 HydrophobicContact CG2-CG 4.15Å
207	D	95.2	Very high	94.1	Very high	49 Å²	49	69 Å²	69	26%	0.262	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-100.2	113.5	177	-64.7	-36.1	0	0	0	108.1	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD2 3.02Å; R205-D207 IonicContact NE-OD2 3.28Å; R205-D207 PolarHBondContact NE-OD2 2.84Å; R205-D207 IonicContact NH1-OD2 3.52Å; D207-F232 WeakPolarHBondContact O-CA 3.3Å; D207-F232 WeakPolarHBondContact O-CB 3.41Å; D207-Y233 PolarHBondContact N-O 2.77Å; D207-Y233 PolarHBondContact O-N 3.14Å; D207-Y233 VanDerWaalsContact O-N 3.09Å; D207-H287 PolarHBondContact O-CE1 2.82Å
208	P	96.7	Very high	93.9	Very high	67 Å²	67	67.5 Å²	67.5	44%	0.435	34%	0.342	S	S	.	.			trans	-68.7	146.3	-178.6	25.7	-32.9	0	0	0	111.8	K210 L290	P208-K210 PolarHBondContact O-N 3.12Å; P208-L290 HydrophobicContact CB-CD2 3.9Å
209	P	97.8	Very high	93.7	Very high	9 Å²	9	67.7 Å²	67.7	6%	0.058	35%	0.347	C	S	.	.			trans	-65.6	132.8	178.9	27.1	-34.8	0	0	0	112.2	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.15Å; P209-T211 HydrophobicContact CG-CG2 4.32Å; P209-T211 PolarHBondContact O-N 2.68Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.15Å; P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; P209-V285 HydrophobicContact CG-CG1 3.97Å; P209-H287 HydrophobicContact CG-CB 4.06Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CD2 4.39Å; P209-L290 HydrophobicContact CG-CG 4.16Å
210	K	97.8	Very high	93.4	Very high	154 Å²	154	74.7 Å²	74.7	67%	0.67	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	107.6	164.5	-64.5	174.7	-173.2	168.9	0	108.1	P208 L230	P208-K210 PolarHBondContact O-N 3.12Å; K210-L230 PolarHBondContact N-O 3.35Å; K210-L230 PolarHBondContact O-N 2.84Å
211	T	96.8	Very high	93.3	Very high	38 Å²	38	76.4 Å²	76.4	23%	0.233	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.4	-175	57.7	0	0	0	0	112.6	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.15Å; P209-T211 HydrophobicContact CG-CG2 4.32Å; P209-T211 PolarHBondContact O-N 2.68Å; T211-W228 WeakPolarHBondContact CA-O 3.37Å; T211-A229 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.24Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; T211-L294 HydrophobicContact CG2-CD1 4.29Å; T211-L296 HydrophobicContact CG2-CD1 4.05Å
212	H	94.3	Very high	93.4	Very high	80 Å²	80	72 Å²	72	37%	0.37	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	166.4	170	67.8	-77.6	0	0	0	110.2	W228	H212-W228 AromaticContact CD2-CD1 3.94Å; H212-W228 WeakPolarHBondContact CE1-CB 3.38Å; H212-W228 AromaticContact CE1-CD1 3.86Å; H212-W228 AromaticContact CE1-CG 3.52Å; H212-W228 PolarHBondContact N-O 2.8Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 PolarHBondContact O-N 2.81Å
213	M	95	Very high	93.5	Very high	26 Å²	26	69.8 Å²	69.8	13%	0.128	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.2	179.7	-158.7	172.3	-58.6	0	0	110.1	L225 R226 W241 C283 L296 R297 W298	M213-L225 HydrophobicContact SD-CD1 4.46Å; M213-L225 HydrophobicContact SD-CD2 4.3Å; M213-R226 CarbonylContact C-O 3.47Å; M213-R226 VanDerWaalsContact CA-O 3.31Å; M213-R226 WeakPolarHBondContact CA-O 3.37Å; M213-W241 HydrophobicContact CE-CH2 3.9Å; M213-W241 HydrophobicContact CE-CZ3 4.45Å; M213-W241 HydrophobicContact CG-CH2 4.48Å; M213-W241 HydrophobicContact SD-CH2 3.76Å; M213-C283 HydrophobicContact CE-CB 4.38Å; M213-L296 HydrophobicContact CE-CB 3.71Å; M213-R297 VanDerWaalsContact CE-C 3.42Å; M213-W298 HydrophobicContact CB-CE3 4.01Å; M213-W298 HydrophobicContact CB-CZ3 4.37Å; M213-W298 HydrophobicContact CG-CE3 3.93Å; M213-W298 WeakPolarHBondContact SD-CA 3.16Å; M213-W298 HydrophobicContact SD-CB 3.64Å; M213-W298 HydrophobicContact SD-CE3 4.04Å; M213-W298 HydrophobicContact SD-CG 4.5Å; M213-W298 PolarHBondContact SD-N 3.16Å; M213-W298 VanDerWaalsContact SD-N 3.41Å
214	T	94.1	Very high	93.7	Very high	37 Å²	37	70.6 Å²	70.6	23%	0.227	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145	171.8	56	0	0	0	0	110.6	H216 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.89Å; T214-R226 PolarHBondContact N-O 3.06Å; T214-R226 PolarHBondContact O-N 3.21Å; T214-W228 PolarHBondContact OG1-NE1 3.43Å; T214-W228 VanDerWaalsContact OG1-NE1 3.09Å
215	H	93.7	Very high	94	Very high	59 Å²	59	66.5 Å²	66.5	27%	0.273	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.1	-177.3	172.7	-91	0	0	0	109.1	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.41Å; H215-T224 WeakPolarHBondContact CA-O 3.47Å; H215-L225 HydrophobicContact CB-CD2 4.08Å; H215-E278 IonicContact NE2-OE1 3.9Å; H215-W298 HydrophobicContact CB-CD2 4.23Å; H215-W298 HydrophobicContact CB-CE3 4.17Å; H215-W298 HydrophobicContact CB-CH2 3.38Å; H215-W298 HydrophobicContact CB-CZ2 3.4Å; H215-W298 HydrophobicContact CB-CZ3 3.77Å; H215-W298 AromaticContact CG-CZ2 3.96Å
216	H	92.9	Very high	94.2	Very high	72 Å²	72	65 Å²	65	33%	0.333	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	105.2	-178.8	-44.2	82.6	0	0	0	108.7	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 2.89Å; H216-I218 PolarHBondContact O-N 2.83Å; H216-A223 CarbonylContact O-C 3.47Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; H216-T224 PolarHBondContact N-O 2.96Å; H216-T224 PolarHBondContact ND1-O 3.4Å; H216-T224 PolarHBondContact O-N 3.36Å; H216-R226 PolarHBondContact CE1-NH1 2.91Å; H216-R226 PolarHBondContact NE2-NH1 3.39Å
217	P	92.6	Very high	94.4	Very high	101 Å²	101	62 Å²	62	66%	0.656	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.6	131.2	173.6	-21	31.3	0	0	0	110.6
218	I	91	Very high	94.6	Very high	97 Å²	97	61.9 Å²	61.9	50%	0.497	32%	0.318	S	S	.	.			trans	-97.9	-45.6	172.4	-61.4	161.9	0	0	0	109.2	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.83Å; I218-E222 PolarHBondContact N-O 3.24Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.3Å; I218-V272 HydrophobicContact CD1-CG1 4.03Å; I218-V272 HydrophobicContact CD1-CG2 4.09Å
219	S	91.1	Very high	94.6	Very high	54 Å²	54	58.7 Å²	58.7	38%	0.378	30%	0.297	S	S	.	.	S	Bend	trans	-148.1	-178.2	178.4	72.1	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.02Å; S219-H221 PolarHBondContact OG-N 3.2Å; S219-E222 PolarHBondContact N-O 3.39Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.29Å
220	D	88.1	Confident	94.6	Very high	150 Å²	150	60.9 Å²	60.9	80%	0.802	31%	0.308	S	S	*	.	S	Bend	trans	-63.1	-19.3	172.9	-65.4	-22.5	0	0	0	112.6	S275	D220-S275 WeakPolarHBondContact O-CB 3.35Å; D220-S275 PolarHBondContact O-OG 3.05Å
221	H	91.4	Very high	94.6	Very high	147 Å²	147	54.8 Å²	54.8	68%	0.681	29%	0.288	S	S	*	.	S	Bend	trans	-105.4	-16.5	-174.1	-55.2	-49.4	0	0	0	114.1	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.02Å; S219-H221 PolarHBondContact OG-N 3.2Å; H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.41Å; H221-S275 PolarHBondContact O-N 3.38Å; H221-S275 PolarHBondContact O-OG 3.4Å
222	E	94	Very high	94.6	Very high	91 Å²	91	53 Å²	53	43%	0.425	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	146.9	-171.2	-66	178.5	177	0	0	112.5	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3.24Å; S219-E222 PolarHBondContact N-O 3.39Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.29Å; E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.36Å; E222-V273 WeakPolarHBondContact CA-O 3.27Å; E222-S275 PolarHBondContact N-OG 3.16Å
223	A	94.1	Very high	94.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.9	173.3	0	0	0	0	0	111.3	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.41Å; H216-A223 CarbonylContact O-C 3.47Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; A223-V272 WeakPolarHBondContact O-CA 3.1Å; A223-V273 PolarHBondContact N-O 3.12Å; A223-V273 WeakPolarHBondContact O-CG2 3.11Å; A223-V273 PolarHBondContact O-N 3.49Å
224	T	95.9	Very high	94.6	Very high	22 Å²	22	49 Å²	49	14%	0.135	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.6	169.4	-53	0	0	0	0	110	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.47Å; H216-T224 PolarHBondContact N-O 2.96Å; H216-T224 PolarHBondContact ND1-O 3.4Å; H216-T224 PolarHBondContact O-N 3.36Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.3Å; T224-A270 HydrophobicContact CG2-CB 3.82Å; T224-V271 WeakPolarHBondContact CA-O 3.39Å
225	L	96.3	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.6	163.4	-68.2	-180	0	0	0	109.2	M213 H215 W241 A270 V271 V273 E278 W298	M213-L225 HydrophobicContact SD-CD1 4.46Å; M213-L225 HydrophobicContact SD-CD2 4.3Å; H215-L225 HydrophobicContact CB-CD2 4.08Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 4Å; L225-W241 HydrophobicContact CD1-CH2 4.16Å; L225-W241 HydrophobicContact CD1-CZ3 4.33Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.34Å; L225-V271 HydrophobicContact CB-CG2 4.22Å; L225-V271 PolarHBondContact N-O 3.12Å; L225-V271 PolarHBondContact O-N 2.79Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 3.96Å; L225-V273 HydrophobicContact CG-CG1 4.26Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; L225-E278 HydrophobicContact CD1-CB 4.03Å; L225-E278 HydrophobicContact CD1-CG 4.39Å; L225-E278 HydrophobicContact CD2-CG 4.43Å; L225-W298 HydrophobicContact CD1-CB 4.28Å; L225-W298 HydrophobicContact CD2-CB 4.08Å; L225-W298 HydrophobicContact CD2-CD2 4.03Å; L225-W298 HydrophobicContact CD2-CE3 4.24Å; L225-W298 HydrophobicContact CD2-CG 3.94Å
226	R	97.1	Very high	94.7	Very high	49 Å²	49	50.6 Å²	50.6	19%	0.185	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.5	176.2	-174.1	178	-65.2	120.6	5.7	110.2	M213 T214 H216 W228 W268 A270	M213-R226 CarbonylContact C-O 3.47Å; M213-R226 VanDerWaalsContact CA-O 3.31Å; M213-R226 WeakPolarHBondContact CA-O 3.37Å; T214-R226 PolarHBondContact N-O 3.06Å; T214-R226 PolarHBondContact O-N 3.21Å; H216-R226 PolarHBondContact CE1-NH1 2.91Å; H216-R226 PolarHBondContact NE2-NH1 3.39Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-W268 HydrophobicContact CG-CB 4.04Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.25Å; R226-A270 HydrophobicContact CB-CB 4.08Å; R226-A270 HydrophobicContact CG-CB 4.12Å
227	C	97.2	Very high	94.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.8	175.1	-176.1	0	0	0	0	109.3	W241 W268 A269 C283	C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.19Å; C227-W268 WeakPolarHBondContact O-CB 3.44Å; C227-A269 PolarHBondContact N-O 2.94Å; C227-A269 PolarHBondContact O-N 2.8Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.39Å; C227-C283 WeakPolarHBondContact SG-CB 3.15Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.45Å
228	W	98	Very high	95	Very high	46 Å²	46	44.6 Å²	44.6	17%	0.174	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.8	-179.8	-68.1	87	0	0	0	110.8	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.37Å; H212-W228 AromaticContact CD2-CD1 3.94Å; H212-W228 WeakPolarHBondContact CE1-CB 3.38Å; H212-W228 AromaticContact CE1-CD1 3.86Å; H212-W228 AromaticContact CE1-CG 3.52Å; H212-W228 PolarHBondContact N-O 2.8Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.59Å; H212-W228 PolarHBondContact O-N 2.81Å; T214-W228 PolarHBondContact OG1-NE1 3.43Å; T214-W228 VanDerWaalsContact OG1-NE1 3.09Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.93Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.34Å; W228-W268 AromaticContact CH2-CD1 3.68Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å
229	A	98.2	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.4	163.2	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 4.45Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.3Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; A229-L239 HydrophobicContact CB-CD1 4.09Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.32Å; A229-K267 PolarHBondContact N-O 2.85Å; A229-K267 PolarHBondContact O-N 2.89Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.1	Very high	95.5	Very high	55 Å²	55	39.6 Å²	39.6	29%	0.288	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.8	-175.4	-59	179.8	0	0	0	111.4	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.35Å; K210-L230 PolarHBondContact O-N 2.84Å; W228-L230 HydrophobicContact CE3-CD2 3.93Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 3.48Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å
231	G	97.3	Very high	95.9	Very high	25 Å²	25	32.6 Å²	32.6	26%	0.258	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68	32.2	167.6	0	0	0	0	0	113.9	F265	G231-F265 PolarHBondContact N-O 3.1Å
232	F	97.1	Very high	96	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	-102.5	156.6	179.8	59	-90.2	0	0	0	112.5	D207 P209 A229 L230 P234 I237 T257 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.3Å; D207-F232 WeakPolarHBondContact O-CB 3.41Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.15Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.85Å; A229-F232 WeakPolarHBondContact O-CE1 3.3Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 3.48Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.42Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.1Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; F232-T257 HydrophobicContact CE2-CG2 4.1Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; F232-F265 WeakPolarHBondContact CD1-O 3.25Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.29Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 2.84Å; F232-F265 PolarHBondContact O-N 3.26Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.71Å
233	Y	95	Very high	96.1	Very high	3 Å²	3	27 Å²	27	1%	0.012	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-152	135	173.6	179.8	-83.9	0	0	0	109.1	T55 R205 T206 D207 G263 F265 H287	T55-Y233 WeakPolarHBondContact OG1-CE2 3.27Å; T55-Y233 PolarHBondContact OG1-OH 3.06Å; R205-Y233 HydrophobicContact CG-CD1 3.8Å; R205-Y233 HydrophobicContact CG-CE1 4.16Å; R205-Y233 VanDerWaalsContact O-CD1 3.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.17Å; T206-Y233 WeakPolarHBondContact CA-O 3.48Å; D207-Y233 PolarHBondContact N-O 2.77Å; D207-Y233 PolarHBondContact O-N 3.14Å; D207-Y233 VanDerWaalsContact O-N 3.09Å; Y233-G263 WeakPolarHBondContact CD2-O 3.45Å; Y233-F265 HydrophobicContact CD2-CD2 4.41Å; Y233-F265 AromaticContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CE2-CE2 4.41Å; Y233-H287 PolarHBondContact O-CE1 3.38Å
234	P	94	Very high	96	Very high	21 Å²	21	31.8 Å²	31.8	14%	0.136	16%	0.164	C	C	.	.	S	Bend	cis	-73.8	178.7	4.4	31.3	-37.2	0	0	0	113.5	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.23Å; F232-P234 WeakPolarHBondContact CD2-O 3.35Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 2.86Å; P234-H287 PolarHBondContact O-NE2 2.8Å
235	A	95.4	Very high	95.7	Very high	13 Å²	13	33.1 Å²	33.1	11%	0.107	18%	0.182	C	C	.	.	S	Bend	trans	-70.1	-25.5	-175.4	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.16Å; D54-A235 VanDerWaalsContact CG-CB 3.45Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.45Å; D54-A235 PolarHBondContact OD2-N 3.23Å; A235-I237 PolarHBondContact O-N 2.84Å; A235-T257 HydrophobicContact CB-CG2 4.24Å; A235-T257 WeakPolarHBondContact O-CG2 3.44Å; A235-F265 HydrophobicContact CB-CD1 3.67Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.72Å
236	E	94.6	Very high	95.5	Very high	115 Å²	115	39.2 Å²	39.2	54%	0.537	21%	0.21	S	C	.	.			trans	-63.8	116.6	178.7	-170.5	59	-147.1	0	0	109.9	W23 P234 H287	W23-E236 HydrophobicContact CE3-CG 4.38Å; W23-E236 HydrophobicContact CH2-CB 4.48Å; W23-E236 HydrophobicContact CH2-CG 3.65Å; W23-E236 HydrophobicContact CZ2-CG 3.77Å; W23-E236 HydrophobicContact CZ3-CB 4.4Å; W23-E236 HydrophobicContact CZ3-CG 3.95Å; W23-E236 VanDerWaalsContact CZ3-O 3.3Å; W23-E236 WeakPolarHBondContact CZ3-O 3.4Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 2.86Å; E236-H287 PolarHBondContact O-CD2 3.01Å
237	I	95.4	Very high	95.3	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.046	23%	0.227	C	C	.	.			trans	-152.6	142.4	-178.3	-164.1	171.4	0	0	0	109.2	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.03Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; A229-I237 HydrophobicContact CB-CD1 3.71Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.98Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.42Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.91Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.1Å; F232-I237 HydrophobicContact CZ-CD1 3.83Å; F232-I237 HydrophobicContact CZ-CG2 3.52Å; A235-I237 PolarHBondContact O-N 2.84Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.2Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.06Å
238	T	96	Very high	95	Very high	38 Å²	38	42.4 Å²	42.4	23%	0.233	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.3	174.7	-62.3	0	0	0	0	110.2	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T238-V285 WeakPolarHBondContact O-CA 3.24Å; T238-Q286 PolarHBondContact N-O 2.91Å; T238-Q286 PolarHBondContact O-N 3.39Å
239	L	96.4	Very high	94.4	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.6	172.7	-86.6	62.5	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.09Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; I237-L239 HydrophobicContact CB-CD1 4.48Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.1Å; L239-L254 HydrophobicContact CB-CD1 4.14Å; L239-K267 HydrophobicContact CD1-CD 4.27Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.39Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.45Å; L239-V285 HydrophobicContact CD1-CG1 4.05Å; L239-V285 HydrophobicContact CG-CG2 4.3Å
240	T	95.4	Very high	93.6	Very high	41 Å²	41	54.5 Å²	54.5	25%	0.252	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.9	176.1	59.1	0	0	0	0	111.6	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T240-C283 CarbonylContact O-C 3.58Å; T240-C283 WeakPolarHBondContact O-CA 3.46Å; T240-H284 PolarHBondContact N-O 2.87Å; T240-H284 PolarHBondContact O-N 2.66Å
241	W	96.1	Very high	92.8	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.3	171.7	-81.8	101	0	0	0	110.5	M213 L225 C227 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.9Å; M213-W241 HydrophobicContact CE-CZ3 4.45Å; M213-W241 HydrophobicContact CG-CH2 4.48Å; M213-W241 HydrophobicContact SD-CH2 3.76Å; L225-W241 HydrophobicContact CB-CH2 3.7Å; L225-W241 HydrophobicContact CB-CZ2 4Å; L225-W241 HydrophobicContact CD1-CH2 4.16Å; L225-W241 HydrophobicContact CD1-CZ3 4.33Å; C227-W241 HydrophobicContact CB-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.22Å; W241-Q248 PolarHBondContact O-N 2.88Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 2.69Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 4.07Å; W241-V271 HydrophobicContact CD2-CG2 3.58Å; W241-V271 HydrophobicContact CE3-CG2 3.83Å; W241-V271 HydrophobicContact CG-CB 4.39Å; W241-V271 HydrophobicContact CG-CG1 3.5Å; W241-V271 VanDerWaalsContact CG-CG1 3.5Å; W241-V271 HydrophobicContact CG-CG2 3.97Å; W241-V271 HydrophobicContact CH2-CG2 4.27Å; W241-V271 HydrophobicContact CZ2-CG2 4.05Å; W241-V271 HydrophobicContact CZ3-CG2 4.18Å; W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-T282 VanDerWaalsContact CE3-C 3.45Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.12Å; W241-C283 HydrophobicContact CH2-CB 4.02Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 4.05Å
242	Q	95.6	Very high	92.5	Very high	43 Å²	43	57.3 Å²	57.3	20%	0.201	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.2	172.2	-68.1	-173.8	-9.3	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.35Å; Q242-D247 VanDerWaalsContact CG-OD1 3.28Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 2.83Å; Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.38Å; Q242-T282 PolarHBondContact N-O 2.87Å; Q242-T282 PolarHBondContact O-N 2.88Å; Q242-H284 PolarHBondContact OE1-NE2 3.07Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.14Å
243	R	95.3	Very high	92.4	Very high	79 Å²	79	62.7 Å²	62.7	30%	0.298	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.1	168.9	-177.1	-178.5	68.8	-164.6	-4.1	108.5	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 2.83Å; R243-E246 PolarHBondContact N-O 2.98Å; R243-E246 PolarHBondContact O-N 3.35Å; R243-Q248 HydrophobicContact CB-CG 3.97Å; R243-R280 WeakPolarHBondContact CA-O 3.49Å; R243-R280 HydrophobicContact CG-CB 4.28Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 VanDerWaalsContact CD-CZ 3.49Å; R243-Y281 WeakPolarHBondContact CD-OH 3.28Å; R243-Y281 HydrophobicContact CG-CD1 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.06Å; R243-Y281 HydrophobicContact CG-CE2 4.18Å
244	D	92.7	Very high	92.4	Very high	101 Å²	101	66.7 Å²	66.7	54%	0.54	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	29	-174.8	-57.3	-41.7	0	0	0	114.2	R280	D244-R280 PolarHBondContact N-O 2.88Å; D244-R280 IonicContact OD1-NE 3.7Å; D244-R280 IonicContact OD2-CZ 3.62Å; D244-R280 IonicContact OD2-NE 2.85Å; D244-R280 PolarHBondContact OD2-NE 2.84Å; D244-R280 IonicContact OD2-NH2 3.64Å; D244-R280 PolarHBondContact OD2-NH2 3.24Å
245	G	88.6	Confident	92.5	Very high	50 Å²	50	67.2 Å²	67.2	52%	0.515	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-0.6	-177.3	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 2.83Å
246	E	92.6	Very high	92.5	Very high	128 Å²	128	74.2 Å²	74.2	60%	0.598	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.7	174.8	-63	-174.9	165.5	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.52Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.35Å; R243-E246 PolarHBondContact N-O 2.98Å; R243-E246 PolarHBondContact O-N 3.35Å; E246-Q248 PolarHBondContact O-NE2 2.97Å
247	D	92.4	Very high	92.6	Very high	101 Å²	101	70.7 Å²	70.7	54%	0.54	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.3	-179.4	-66.9	-31.5	0	0	0	112.5	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.28Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 2.83Å
248	Q	92	Very high	92.7	Very high	15 Å²	15	74.9 Å²	74.9	7%	0.07	39%	0.388	C	S	.	.			trans	-109.1	34.3	-177.1	-58.4	-58.9	-67.6	0	0	112.8	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.22Å; W241-Q248 PolarHBondContact O-N 2.88Å; R243-Q248 HydrophobicContact CB-CG 3.97Å; E246-Q248 PolarHBondContact O-NE2 2.97Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.21Å; Q248-D251 PolarHBondContact O-N 3.01Å; Q248-T252 WeakPolarHBondContact O-CB 3.45Å; Q248-T252 PolarHBondContact O-N 3.2Å; Q248-T252 VanDerWaalsContact O-N 3.15Å; Q248-T252 PolarHBondContact O-OG1 3.17Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å
249	T	83.6	Confident	92.7	Very high	107 Å²	107	77.6 Å²	77.6	66%	0.656	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-35.3	-169.3	-47	0	0	0	0	114.3
250	Q	81.9	Confident	92.7	Very high	192 Å²	192	79.6 Å²	79.6	90%	0.897	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-31.5	-178.8	-67.5	-174.7	4.1	0	0	113.2	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.21Å; Q250-T252 VanDerWaalsContact C-N 3.32Å
251	D	82.4	Confident	92.5	Very high	116 Å²	116	81.2 Å²	81.2	62%	0.62	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	3	-177.9	-57.3	-47.5	0	0	0	112.2	Q248	Q248-D251 PolarHBondContact O-N 3.01Å
252	T	90.8	Very high	92.3	Very high	24 Å²	24	86.5 Å²	86.5	15%	0.147	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.1	-179.5	-62.2	0	0	0	0	110.9	Q248 Q250 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.45Å; Q248-T252 PolarHBondContact O-N 3.2Å; Q248-T252 VanDerWaalsContact O-N 3.15Å; Q248-T252 PolarHBondContact O-OG1 3.17Å; Q250-T252 VanDerWaalsContact C-N 3.32Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 3.09Å; T252-A269 HydrophobicContact CG2-CB 3.98Å; T252-A270 CarbonylContact C-O 3.58Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å; T252-V271 HydrophobicContact CG2-CG1 4.32Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.44Å
253	E	94.7	Very high	92.1	Very high	113 Å²	113	86.3 Å²	86.3	53%	0.528	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	102.4	162.8	-173.3	-174.3	-170.4	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.42Å; E253-A269 CarbonylContact O-C 3.54Å; E253-A269 WeakPolarHBondContact O-CA 3.25Å; E253-A270 HydrophobicContact CB-CB 4.37Å; E253-A270 PolarHBondContact N-O 3.3Å; E253-A270 PolarHBondContact O-N 3.01Å
254	L	94.9	Very high	92.1	Very high	87 Å²	87	83.3 Å²	83.3	46%	0.455	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.7	177.3	-174.9	67.5	0	0	0	109.8	L239 T252 A269	L239-L254 HydrophobicContact CB-CD1 4.14Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 3.09Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
255	V	95.5	Very high	92.4	Very high	32 Å²	32	79.6 Å²	79.6	19%	0.194	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-87.5	152.2	174.1	-64.2	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.26Å; V255-K267 WeakPolarHBondContact O-CE 3.33Å; V255-K267 WeakPolarHBondContact O-CG 3.34Å; V255-K267 PolarHBondContact O-NZ 3.31Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.54Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.06Å; 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 4.36Å; V255-W268 WeakPolarHBondContact CG2-O 3.15Å; V255-W268 PolarHBondContact N-O 2.81Å
256	E	95.6	Very high	92.8	Very high	159 Å²	159	79.3 Å²	79.3	74%	0.743	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-57.9	148.7	168.2	-68.2	-55.7	150.4	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 3.26Å
257	T	97.1	Very high	93.1	Very high	42 Å²	42	73.9 Å²	73.9	26%	0.258	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-67.2	130.7	175.3	-57	0	0	0	0	108.7	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.1Å; F232-T257 HydrophobicContact CZ-CG2 3.93Å; A235-T257 HydrophobicContact CB-CG2 4.24Å; A235-T257 WeakPolarHBondContact O-CG2 3.44Å; T257-F265 HydrophobicContact CG2-CB 3.81Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.15Å; T257-K267 WeakPolarHBondContact OG1-CD 3.21Å; T257-K267 PolarHBondContact OG1-NZ 3.4Å
258	R	96.5	Very high	93.4	Very high	97 Å²	97	70.3 Å²	70.3	37%	0.366	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145	-175.5	69.3	-168.9	-178.1	-172.9	3.3	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.26Å; R258-F265 WeakPolarHBondContact O-CA 3.34Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 2.98Å; R258-Q266 WeakPolarHBondContact O-CG 3.38Å; R258-Q266 PolarHBondContact O-N 3.31Å
259	P	96.5	Very high	93.6	Very high	94 Å²	94	69.6 Å²	69.6	61%	0.61	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.9	177.6	28.5	-34.4	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.27Å
260	A	95.9	Very high	94.2	Very high	49 Å²	49	64.6 Å²	64.6	41%	0.405	36%	0.361	S	S	.	.			trans	-87.8	-17.6	172.7	0	0	0	0	0	112.8	T264	A260-T264 WeakPolarHBondContact CB-O 3.38Å; A260-T264 PolarHBondContact N-O 3.47Å
261	G	92.4	Very high	94.9	Very high	75 Å²	75	55.6 Å²	55.6	77%	0.773	32%	0.319	S	S	*	.	S	Bend	trans	97.4	-8.6	178.7	0	0	0	0	0	114.8
262	D	91.8	Very high	95.6	Very high	112 Å²	112	53.7 Å²	53.7	60%	0.599	31%	0.312	S	S	*	.	S	Bend	trans	-104.5	13.9	176.5	61.9	-1	0	0	0	113	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.34Å; D262-T264 PolarHBondContact OD1-N 2.83Å; D262-T264 PolarHBondContact OD1-OG1 3.21Å
263	G	90.8	Very high	95.8	Very high	40 Å²	40	52.5 Å²	52.5	41%	0.412	31%	0.305	S	S	.	.	S	Bend	trans	85.2	4	-173.9	0	0	0	0	0	114.5	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.45Å
264	T	96.3	Very high	95.8	Very high	15 Å²	15	49.4 Å²	49.4	9%	0.092	29%	0.294	C	S	.	.			trans	-107.4	173.1	171.9	73.6	0	0	0	0	112.2	A260 D262	A260-T264 WeakPolarHBondContact CB-O 3.38Å; A260-T264 PolarHBondContact N-O 3.47Å; D262-T264 WeakPolarHBondContact OD1-CB 3.34Å; D262-T264 PolarHBondContact OD1-N 2.83Å; D262-T264 PolarHBondContact OD1-OG1 3.21Å
265	F	97.8	Very high	95.5	Very high	24 Å²	24	48 Å²	48	11%	0.105	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	162.7	-177.1	-63.1	-85.5	0	0	0	112.5	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.57Å; G231-F265 PolarHBondContact N-O 3.1Å; F232-F265 WeakPolarHBondContact CD1-O 3.25Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.29Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.47Å; F232-F265 HydrophobicContact CG-CB 4.48Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 2.84Å; F232-F265 PolarHBondContact O-N 3.26Å; Y233-F265 HydrophobicContact CD2-CD2 4.41Å; Y233-F265 AromaticContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CE2-CE2 4.41Å; A235-F265 HydrophobicContact CB-CD1 3.67Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.72Å; T257-F265 HydrophobicContact CG2-CB 3.81Å; T257-F265 HydrophobicContact CG2-CD1 3.94Å; T257-F265 HydrophobicContact CG2-CG 4.15Å; R258-F265 WeakPolarHBondContact O-CA 3.34Å; P259-F265 HydrophobicContact CB-CE1 4.27Å
266	Q	97.9	Very high	95.2	Very high	43 Å²	43	49.5 Å²	49.5	20%	0.201	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.6	174.5	43.3	167.9	-21.1	0	0	110	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.32Å; L230-Q266 HydrophobicContact CD2-CB 3.53Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 2.98Å; R258-Q266 WeakPolarHBondContact O-CG 3.38Å; R258-Q266 PolarHBondContact O-N 3.31Å
267	K	98.3	Very high	95	Very high	15 Å²	15	44.9 Å²	44.9	7%	0.065	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	153.9	176.6	-161.6	-177.1	-172.1	70.2	0	108.8	A229 F232 I237 L239 V255 T257	A229-K267 PolarHBondContact N-O 2.85Å; A229-K267 PolarHBondContact O-N 2.89Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.2Å; I237-K267 HydrophobicContact CG2-CD 3.58Å; L239-K267 HydrophobicContact CD1-CD 4.27Å; L239-K267 HydrophobicContact CD2-CB 4.34Å; L239-K267 HydrophobicContact CD2-CG 4.39Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.26Å; V255-K267 WeakPolarHBondContact O-CE 3.33Å; V255-K267 WeakPolarHBondContact O-CG 3.34Å; V255-K267 PolarHBondContact O-NZ 3.31Å; T257-K267 WeakPolarHBondContact OG1-CD 3.21Å; T257-K267 PolarHBondContact OG1-NZ 3.4Å
268	W	97.8	Very high	94.8	Very high	25 Å²	25	44 Å²	44	10%	0.095	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.5	169.5	59.2	-98.5	0	0	0	111.2	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.04Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.25Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.19Å; C227-W268 WeakPolarHBondContact O-CB 3.44Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.87Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.34Å; W228-W268 AromaticContact CH2-CD1 3.68Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.39Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.88Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.42Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.54Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.06Å; 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 4.36Å; V255-W268 WeakPolarHBondContact CG2-O 3.15Å; V255-W268 PolarHBondContact N-O 2.81Å; W268-A270 HydrophobicContact CE3-CB 3.99Å; W268-A270 HydrophobicContact CZ3-CB 3.69Å
269	A	97.4	Very high	94.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133	174.3	0	0	0	0	0	108.5	C227 L239 W241 T252 E253 L254	C227-A269 PolarHBondContact N-O 2.94Å; C227-A269 PolarHBondContact O-N 2.8Å; L239-A269 HydrophobicContact CB-CB 4.07Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 2.69Å; T252-A269 HydrophobicContact CG2-CB 3.98Å; E253-A269 CarbonylContact O-C 3.54Å; E253-A269 WeakPolarHBondContact O-CA 3.25Å; L254-A269 HydrophobicContact CD1-CB 3.64Å
270	A	96.8	Very high	94.4	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.7	180	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.82Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.34Å; R226-A270 HydrophobicContact CB-CB 4.08Å; R226-A270 HydrophobicContact CG-CB 4.12Å; T252-A270 CarbonylContact C-O 3.58Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å; E253-A270 HydrophobicContact CB-CB 4.37Å; E253-A270 PolarHBondContact N-O 3.3Å; E253-A270 PolarHBondContact O-N 3.01Å; W268-A270 HydrophobicContact CE3-CB 3.99Å; W268-A270 HydrophobicContact CZ3-CB 3.69Å
271	V	96.7	Very high	94.4	Very high	3 Å²	3	42 Å²	42	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	144.8	174.6	-72.4	0	0	0	0	109.5	T224 L225 W241 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.39Å; L225-V271 HydrophobicContact CB-CG2 4.22Å; L225-V271 PolarHBondContact N-O 3.12Å; L225-V271 PolarHBondContact O-N 2.79Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CD2-CB 4.48Å; W241-V271 HydrophobicContact CD2-CG1 4.07Å; W241-V271 HydrophobicContact CD2-CG2 3.58Å; W241-V271 HydrophobicContact CE3-CG2 3.83Å; W241-V271 HydrophobicContact CG-CB 4.39Å; W241-V271 HydrophobicContact CG-CG1 3.5Å; W241-V271 VanDerWaalsContact CG-CG1 3.5Å; W241-V271 HydrophobicContact CG-CG2 3.97Å; W241-V271 HydrophobicContact CH2-CG2 4.27Å; W241-V271 HydrophobicContact CZ2-CG2 4.05Å; W241-V271 HydrophobicContact CZ3-CG2 4.18Å; T252-V271 HydrophobicContact CG2-CG1 4.32Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.44Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.76Å; V271-Y281 HydrophobicContact CG2-CD1 4.12Å
272	V	96.1	Very high	94.5	Very high	76 Å²	76	38.8 Å²	38.8	46%	0.461	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.6	168.2	-179.3	0	0	0	0	107.8	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.03Å; I218-V272 HydrophobicContact CD1-CG2 4.09Å; E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.36Å; A223-V272 WeakPolarHBondContact O-CA 3.1Å
273	V	94.8	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143	-177.2	-54	0	0	0	0	110.2	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.27Å; A223-V273 PolarHBondContact N-O 3.12Å; A223-V273 WeakPolarHBondContact O-CG2 3.11Å; A223-V273 PolarHBondContact O-N 3.49Å; L225-V273 HydrophobicContact CD1-CG1 3.98Å; L225-V273 HydrophobicContact CD1-CG2 3.96Å; L225-V273 HydrophobicContact CG-CG1 4.26Å; L225-V273 HydrophobicContact CG-CG2 3.83Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.76Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.52Å; V273-Y281 HydrophobicContact CG1-CE1 3.71Å; V273-Y281 HydrophobicContact CG1-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CG 3.62Å
274	P	94.5	Very high	95	Very high	47 Å²	47	33.1 Å²	33.1	31%	0.305	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	141.4	170.4	-20.6	32.5	0	0	0	111.3	H221 G276 E277	H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.41Å; P274-G276 PolarHBondContact O-N 3.4Å; P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.46Å; P274-E277 PolarHBondContact O-N 3.22Å
275	S	89.6	Confident	95	Very high	57 Å²	57	32.4 Å²	32.4	40%	0.399	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	126.4	175	-64.5	0	0	0	0	110.7	D220 H221 E222 E277 E278	D220-S275 WeakPolarHBondContact O-CB 3.35Å; D220-S275 PolarHBondContact O-OG 3.05Å; H221-S275 PolarHBondContact O-N 3.38Å; H221-S275 PolarHBondContact O-OG 3.4Å; E222-S275 PolarHBondContact N-OG 3.16Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.48Å
276	G	88	Confident	95	Very high	65 Å²	65	34.6 Å²	34.6	67%	0.67	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	-6.7	-178.8	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 3.4Å; G276-E278 WeakPolarHBondContact CA-OE2 3.43Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 2.97Å; G276-E278 PolarHBondContact N-OE2 3.23Å
277	E	92.6	Very high	94.8	Very high	62 Å²	62	33 Å²	33	29%	0.29	18%	0.182	S	C	.	.			trans	-99.2	3.8	175.2	-65.1	-162.8	-167.5	0	0	113.4	P274 S275 Q279 R280 Y281	P274-E277 HydrophobicContact CB-CB 4.28Å; P274-E277 HydrophobicContact CB-CG 4.09Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.46Å; P274-E277 PolarHBondContact O-N 3.22Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 3.26Å; E277-R280 VanDerWaalsContact CD-NH1 3.26Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.32Å; E277-R280 PolarHBondContact O-N 2.78Å; E277-R280 IonicContact OE1-NH1 2.8Å; E277-R280 IonicContact OE2-CZ 3.14Å; E277-R280 IonicContact OE2-NH1 2.65Å; E277-R280 PolarHBondContact OE2-NH1 2.83Å; E277-Y281 HydrophobicContact CB-CE2 4.27Å; E277-Y281 VanDerWaalsContact O-CD2 3.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.18Å
278	E	92.1	Very high	94.5	Very high	22 Å²	22	35.8 Å²	35.8	10%	0.103	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-56.1	-33.9	-172.5	-57.8	80.8	-178.9	0	0	112.6	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.9Å; L225-E278 HydrophobicContact CD1-CB 4.03Å; L225-E278 HydrophobicContact CD1-CG 4.39Å; L225-E278 HydrophobicContact CD2-CG 4.43Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.48Å; G276-E278 WeakPolarHBondContact CA-OE2 3.43Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 2.97Å; G276-E278 PolarHBondContact N-OE2 3.23Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.87Å; E278-Y281 PolarHBondContact O-N 3.18Å; E278-W298 HydrophobicContact CB-CB 4.23Å; E278-W298 HydrophobicContact CB-CG 4.21Å
279	Q	91.3	Very high	94.1	Very high	92 Å²	92	35.3 Å²	35.3	43%	0.43	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-68.1	-21.2	179.2	-66.4	-59.1	-40.4	0	0	114.1	E277 W298	E277-Q279 PolarHBondContact O-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 3.44Å; Q279-W298 PolarHBondContact OE1-O 3.11Å
280	R	94.1	Very high	94	Very high	98 Å²	98	36.4 Å²	36.4	37%	0.37	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-76.2	-17.6	177.3	-61.8	174.3	66.2	-173.9	6	111.8	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.49Å; R243-R280 HydrophobicContact CG-CB 4.28Å; D244-R280 PolarHBondContact N-O 2.88Å; D244-R280 IonicContact OD1-NE 3.7Å; D244-R280 IonicContact OD2-CZ 3.62Å; D244-R280 IonicContact OD2-NE 2.85Å; D244-R280 PolarHBondContact OD2-NE 2.84Å; D244-R280 IonicContact OD2-NH2 3.64Å; D244-R280 PolarHBondContact OD2-NH2 3.24Å; E277-R280 VanDerWaalsContact CD-NH1 3.26Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.32Å; E277-R280 PolarHBondContact O-N 2.78Å; E277-R280 IonicContact OE1-NH1 2.8Å; E277-R280 IonicContact OE2-CZ 3.14Å; E277-R280 IonicContact OE2-NH1 2.65Å; E277-R280 PolarHBondContact OE2-NH1 2.83Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.87Å
281	Y	94.9	Very high	93.7	Very high	8 Å²	8	42.7 Å²	42.7	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.9	-178.2	-66.3	-99.3	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.58Å; Q242-Y281 VanDerWaalsContact O-CA 3.27Å; Q242-Y281 WeakPolarHBondContact O-CA 3.38Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 VanDerWaalsContact CD-CZ 3.49Å; R243-Y281 WeakPolarHBondContact CD-OH 3.28Å; R243-Y281 HydrophobicContact CG-CD1 4.41Å; R243-Y281 HydrophobicContact CG-CE1 4.06Å; R243-Y281 HydrophobicContact CG-CE2 4.18Å; Q248-Y281 HydrophobicContact CG-CE1 4.42Å; V271-Y281 HydrophobicContact CG2-CD1 4.12Å; V273-Y281 HydrophobicContact CB-CD2 3.95Å; V273-Y281 HydrophobicContact CB-CE2 3.68Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.52Å; V273-Y281 HydrophobicContact CG1-CE1 3.71Å; V273-Y281 HydrophobicContact CG1-CE2 3.54Å; V273-Y281 HydrophobicContact CG1-CG 3.62Å; E277-Y281 HydrophobicContact CB-CE2 4.27Å; E277-Y281 VanDerWaalsContact O-CD2 3.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.18Å; E278-Y281 PolarHBondContact O-N 3.18Å
282	T	96.1	Very high	93.5	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.055	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.4	175.5	44.9	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.45Å; W241-T282 VanDerWaalsContact CE3-C 3.45Å; Q242-T282 PolarHBondContact N-O 2.87Å; Q242-T282 PolarHBondContact O-N 2.88Å; T282-H284 PolarHBondContact OG1-NE2 2.95Å; T282-T295 HydrophobicContact CG2-CG2 3.91Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 WeakPolarHBondContact CA-O 3.48Å; T282-R297 HydrophobicContact CG2-CG 3.46Å; T282-R297 VanDerWaalsContact CG2-CG 3.46Å
283	C	96.5	Very high	93.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.9	168.6	173.6	0	0	0	0	109.6	M213 C227 T240 W241 T295 L296	M213-C283 HydrophobicContact CE-CB 4.38Å; C227-C283 HydrophobicContact CB-CB 3.5Å; C227-C283 WeakPolarHBondContact CB-SG 3.39Å; C227-C283 WeakPolarHBondContact SG-CB 3.15Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.45Å; T240-C283 CarbonylContact O-C 3.58Å; T240-C283 WeakPolarHBondContact O-CA 3.46Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.12Å; W241-C283 HydrophobicContact CH2-CB 4.02Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 4.05Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.5Å; C283-L296 HydrophobicContact CB-CB 4.24Å; C283-L296 PolarHBondContact N-O 2.7Å; C283-L296 PolarHBondContact O-N 2.85Å
284	H	95.9	Very high	93.3	Very high	32 Å²	32	53.5 Å²	53.5	15%	0.148	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.3	176.6	-62.5	-98.5	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.45Å; T240-H284 PolarHBondContact N-O 2.87Å; T240-H284 PolarHBondContact O-N 2.66Å; Q242-H284 PolarHBondContact OE1-NE2 3.07Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.14Å; T282-H284 PolarHBondContact OG1-NE2 2.95Å; H284-L294 WeakPolarHBondContact CA-O 3.5Å; H284-T295 PolarHBondContact CE1-OG1 3.35Å; H284-T295 PolarHBondContact ND1-OG1 3.46Å
285	V	96.8	Very high	93.4	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.9	-179	-174.7	0	0	0	0	108.9	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.97Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.24Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.33Å; T238-V285 WeakPolarHBondContact O-CA 3.24Å; L239-V285 HydrophobicContact CD1-CG1 4.05Å; L239-V285 HydrophobicContact CG-CG2 4.3Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; V285-P293 WeakPolarHBondContact O-CA 3.29Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 3.43Å; V285-L294 PolarHBondContact O-N 2.82Å; V285-L296 HydrophobicContact CG2-CD1 3.83Å
286	Q	96.2	Very high	93.6	Very high	71 Å²	71	53.9 Å²	53.9	33%	0.332	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.4	174.1	-52	-178.4	25.8	0	0	109	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.29Å; I237-Q286 WeakPolarHBondContact CG1-O 3.4Å; T238-Q286 PolarHBondContact N-O 2.91Å; T238-Q286 PolarHBondContact O-N 3.39Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
287	H	94.8	Very high	93.8	Very high	9 Å²	9	58.4 Å²	58.4	4%	0.042	29%	0.291	C	S	.	.			trans	-153.2	146.3	-179.5	-173.3	-98.9	0	0	0	108.8	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.82Å; P209-H287 HydrophobicContact CG-CB 4.06Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.71Å; Y233-H287 PolarHBondContact O-CE1 3.38Å; P234-H287 PolarHBondContact O-NE2 2.8Å; E236-H287 PolarHBondContact O-CD2 3.01Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.06Å; H287-G289 PolarHBondContact ND1-N 3.35Å; H287-G289 PolarHBondContact O-N 3.22Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.1Å; H287-L290 WeakPolarHBondContact O-CB 3.29Å; H287-L290 PolarHBondContact O-N 3.06Å
288	E	90.9	Very high	93.6	Very high	73 Å²	73	58 Å²	58	34%	0.341	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.4	-179.5	-171.5	-175.2	176.2	0	0	112.5	W23 T206 L290	W23-E288 HydrophobicContact CE3-CB 4.25Å; T206-E288 HydrophobicContact CG2-CG 4.15Å; E288-L290 PolarHBondContact O-N 3.1Å
289	G	91.4	Very high	92.8	Very high	15 Å²	15	64.3 Å²	64.3	16%	0.155	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.5	176.5	0	0	0	0	0	114.2	H287	H287-G289 PolarHBondContact ND1-N 3.35Å; H287-G289 PolarHBondContact O-N 3.22Å
290	L	93.4	Very high	91.4	Very high	24 Å²	24	66 Å²	66	13%	0.126	33%	0.328	C	S	.	.			trans	-96.7	125.1	176.8	-64.8	171.1	0	0	0	110.5	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.9Å; P209-L290 HydrophobicContact CG-CD1 3.82Å; P209-L290 HydrophobicContact CG-CD2 4.39Å; P209-L290 HydrophobicContact CG-CG 4.16Å; V285-L290 HydrophobicContact CG1-CD1 4.19Å; H287-L290 HydrophobicContact CB-CD1 3.93Å; H287-L290 HydrophobicContact CB-CG 4.1Å; H287-L290 WeakPolarHBondContact O-CB 3.29Å; H287-L290 PolarHBondContact O-N 3.06Å; E288-L290 PolarHBondContact O-N 3.1Å; L290-K292 WeakPolarHBondContact CB-O 3.29Å; L290-K292 PolarHBondContact O-N 3.45Å; L290-K292 VanDerWaalsContact O-N 3.17Å; L290-L294 HydrophobicContact CD1-CB 4.42Å; L290-L294 HydrophobicContact CD1-CD1 3.83Å; L290-L294 HydrophobicContact CD1-CG 3.81Å; L290-L294 HydrophobicContact CD2-CD1 3.59Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.37Å; L290-L294 HydrophobicContact CG-CG 4.44Å
291	P	91.1	Very high	89.4	Confident	134 Å²	134	66.1 Å²	66.1	87%	0.87	34%	0.343	S	S	*	.	S	Bend	trans	-65.3	-23.8	178.5	27.3	-35.1	0	0	0	112.6
292	K	91.8	Very high	86.9	Confident	162 Å²	162	69.7 Å²	69.7	70%	0.704	37%	0.37	S	S	*	.	S	Bend	trans	-146.6	150	173.5	-64.9	-176.1	-178	176.9	0	109	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.29Å; L290-K292 PolarHBondContact O-N 3.45Å; L290-K292 VanDerWaalsContact O-N 3.17Å; K292-L294 PolarHBondContact O-N 2.88Å
293	P	94	Very high	84.3	Confident	81 Å²	81	77.7 Å²	77.7	53%	0.526	41%	0.407	S	S	.	.			trans	-50.4	135	171.3	-29	36.8	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.29Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
294	L	94.2	Very high	81.6	Confident	62 Å²	62	83.4 Å²	83.4	33%	0.325	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	142.7	173.6	-67.2	176.9	0	0	0	109.7	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.29Å; H284-L294 WeakPolarHBondContact CA-O 3.5Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 3.43Å; V285-L294 PolarHBondContact O-N 2.82Å; L290-L294 HydrophobicContact CD1-CB 4.42Å; L290-L294 HydrophobicContact CD1-CD1 3.83Å; L290-L294 HydrophobicContact CD1-CG 3.81Å; L290-L294 HydrophobicContact CD2-CD1 3.59Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.37Å; L290-L294 HydrophobicContact CG-CG 4.44Å; K292-L294 PolarHBondContact O-N 2.88Å
295	T	95.2	Very high	79.2	Confident	79 Å²	79	87.1 Å²	87.1	49%	0.485	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116.2	171.8	-59.4	0	0	0	0	108.3	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.91Å; C283-T295 CarbonylContact O-C 3.59Å; C283-T295 WeakPolarHBondContact O-CA 3.5Å; H284-T295 PolarHBondContact CE1-OG1 3.35Å; H284-T295 PolarHBondContact ND1-OG1 3.46Å
296	L	93.9	Very high	77.5	Confident	34 Å²	34	92.8 Å²	92.8	18%	0.178	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.8	-178.2	-63.5	145.3	0	0	0	108.7	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.05Å; M213-L296 HydrophobicContact CE-CB 3.71Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 WeakPolarHBondContact CA-O 3.48Å; C283-L296 HydrophobicContact CB-CB 4.24Å; C283-L296 PolarHBondContact N-O 2.7Å; C283-L296 PolarHBondContact O-N 2.85Å; V285-L296 HydrophobicContact CG2-CD1 3.83Å
297	R	91.9	Very high	75.7	Confident	160 Å²	160	93.8 Å²	93.8	60%	0.604	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.3	167.5	-73.6	-177.7	176.9	167.2	-1.2	108.8	M213 T282 E299	M213-R297 VanDerWaalsContact CE-C 3.42Å; T282-R297 HydrophobicContact CG2-CG 3.46Å; T282-R297 VanDerWaalsContact CG2-CG 3.46Å; R297-E299 PolarHBondContact O-N 3.47Å
298	W	88.6	Confident	74.1	Confident	53 Å²	53	98.3 Å²	98.3	20%	0.201	53%	0.534	C	S	.	.			trans	-63.8	111.2	168	176.8	-119.9	0	0	0	107.5	M213 H215 L225 E278 Q279	M213-W298 HydrophobicContact CB-CE3 4.01Å; M213-W298 HydrophobicContact CB-CZ3 4.37Å; M213-W298 HydrophobicContact CG-CE3 3.93Å; M213-W298 WeakPolarHBondContact SD-CA 3.16Å; M213-W298 HydrophobicContact SD-CB 3.64Å; M213-W298 HydrophobicContact SD-CE3 4.04Å; M213-W298 HydrophobicContact SD-CG 4.5Å; M213-W298 PolarHBondContact SD-N 3.16Å; M213-W298 VanDerWaalsContact SD-N 3.41Å; H215-W298 HydrophobicContact CB-CD2 4.23Å; H215-W298 HydrophobicContact CB-CE3 4.17Å; H215-W298 HydrophobicContact CB-CH2 3.38Å; H215-W298 HydrophobicContact CB-CZ2 3.4Å; H215-W298 HydrophobicContact CB-CZ3 3.77Å; H215-W298 AromaticContact CG-CZ2 3.96Å; L225-W298 HydrophobicContact CD1-CB 4.28Å; L225-W298 HydrophobicContact CD2-CB 4.08Å; L225-W298 HydrophobicContact CD2-CD2 4.03Å; L225-W298 HydrophobicContact CD2-CE3 4.24Å; L225-W298 HydrophobicContact CD2-CG 3.94Å; E278-W298 HydrophobicContact CB-CB 4.23Å; E278-W298 HydrophobicContact CB-CG 4.21Å; Q279-W298 PolarHBondContact NE2-O 3.44Å; Q279-W298 PolarHBondContact OE1-O 3.11Å
299	E	77.1	Confident	72.6	Confident	155 Å²	155	100.5 Å²	100.5	72%	0.724	55%	0.552	S	S	*	*			trans	-83.9	123.1	166.2	-71.6	-177.6	174.7	0	0	106.7	R297 S301	R297-E299 PolarHBondContact O-N 3.47Å; E299-S301 PolarHBondContact O-N 3.35Å
300	L	61.3	Low	71.4	Confident	128 Å²	128	102 Å²	102	67%	0.67	57%	0.567	S	S	*	*			trans	-65.1	81.5	159.7	-84.7	96.7	0	0	0	106.5	S302	L300-S302 VanDerWaalsContact C-N 3.3Å; L300-S302 PolarHBondContact O-N 3.07Å
301	S	51.3	Low	70.5	Confident	99 Å²	99	105.2 Å²	105.2	69%	0.692	58%	0.583	S	S	*	*			trans	-62.6	101.3	172.5	-176.2	0	0	0	0	106.8	E299 Q303	E299-S301 PolarHBondContact O-N 3.35Å; S301-Q303 PolarHBondContact O-N 3.18Å
302	S	42.8	Very low	69.7	Low	84 Å²	84	103.4 Å²	103.4	59%	0.587	57%	0.565	S	S	*	*			trans	16.1	104.1	159.2	52.7	0	0	0	0	114.2	L300	L300-S302 VanDerWaalsContact C-N 3.3Å; L300-S302 PolarHBondContact O-N 3.07Å
303	Q	41.2	Very low	68.9	Low	177 Å²	177	98.1 Å²	98.1	83%	0.827	55%	0.552	S	S	*	*			trans	-41.6	136.9	141.7	-78.4	-178.6	-22	0	0	107.4	S301 T305	S301-Q303 PolarHBondContact O-N 3.18Å; Q303-T305 PolarHBondContact O-N 3.45Å
304	P	39.2	Very low	68.3	Low	120 Å²	120	95.7 Å²	95.7	78%	0.779	54%	0.541	S	S	*	.			trans	-52.8	112.3	175.9	22.8	-30.6	0	0	0	106	I306	P304-I306 VanDerWaalsContact C-N 3.34Å; P304-I306 PolarHBondContact O-N 3.02Å
305	T	47.2	Very low	67.9	Low	110 Å²	110	98.1 Å²	98.1	68%	0.675	55%	0.554	S	S	*	*			trans	-54.4	111.1	174.3	-34.8	0	0	0	0	103.6	Q303 P307 I308	Q303-T305 PolarHBondContact O-N 3.45Å; T305-P307 VanDerWaalsContact O-N 3.13Å; T305-I308 HydrophobicContact CG2-CD1 4.25Å
306	I	60.1	Low	67.4	Low	118 Å²	118	99 Å²	99	61%	0.605	56%	0.559	S	S	*	*			trans	-37.8	127.2	171.5	-63.8	169.1	0	0	0	105.4	P304 I308 I311	P304-I306 VanDerWaalsContact C-N 3.34Å; P304-I306 PolarHBondContact O-N 3.02Å; I306-I308 WeakPolarHBondContact O-CG1 3.3Å; I306-I308 PolarHBondContact O-N 2.86Å; I306-I311 HydrophobicContact CG2-CD1 3.7Å
307	P	58.5	Low	66.8	Low	93 Å²	93	103 Å²	103	60%	0.604	58%	0.58	S	S	*	*			trans	-67.1	89.2	-170.3	26.7	-33.4	0	0	0	108.3	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-N 3.13Å; P307-V309 PolarHBondContact O-N 3.31Å; P307-V309 VanDerWaalsContact O-N 3.11Å; P307-G310 WeakPolarHBondContact O-CA 3.39Å; P307-G310 PolarHBondContact O-N 3.02Å; P307-I311 PolarHBondContact O-N 3.16Å
308	I	61.3	Low	66.4	Low	103 Å²	103	100.5 Å²	100.5	53%	0.528	58%	0.578	S	S	.	*	H	α-helix	trans	-56.2	-32.3	-179.5	-70.7	163.9	0	0	0	108.6	T305 I306 G310 I311 I312	T305-I308 HydrophobicContact CG2-CD1 4.25Å; I306-I308 WeakPolarHBondContact O-CG1 3.3Å; I306-I308 PolarHBondContact O-N 2.86Å; I308-G310 PolarHBondContact O-N 3.23Å; I308-I311 PolarHBondContact O-N 2.93Å; I308-I312 HydrophobicContact CG2-CD1 3.63Å; I308-I312 HydrophobicContact CG2-CG1 4.24Å; I308-I312 WeakPolarHBondContact O-CB 3.2Å; I308-I312 VanDerWaalsContact O-CG1 3.25Å; I308-I312 WeakPolarHBondContact O-CG1 3.46Å; I308-I312 PolarHBondContact O-N 2.73Å
309	V	58.9	Low	66.2	Low	120 Å²	120	99.7 Å²	99.7	73%	0.727	59%	0.586	S	S	*	*	H	α-helix	trans	-60.8	-40	173.7	-175.3	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.31Å; P307-V309 VanDerWaalsContact O-N 3.11Å; V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.32Å; V309-A313 PolarHBondContact O-N 2.87Å
310	G	66.6	Low	66.4	Low	45 Å²	45	95.1 Å²	95.1	46%	0.464	58%	0.575	S	S	.	*	H	α-helix	trans	-69.8	-37.4	178.1	0	0	0	0	0	112.7	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.39Å; P307-G310 PolarHBondContact O-N 3.02Å; I308-G310 PolarHBondContact O-N 3.23Å; G310-G314 PolarHBondContact O-N 2.96Å
311	I	73.4	Confident	67.6	Low	93 Å²	93	93.8 Å²	93.8	48%	0.477	57%	0.572	S	S	.	*	H	α-helix	trans	-69.1	-44.3	175.9	-62.7	175.3	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.7Å; P307-I311 PolarHBondContact O-N 3.16Å; I308-I311 PolarHBondContact O-N 2.93Å; I311-G314 PolarHBondContact O-N 3.33Å; I311-L315 HydrophobicContact CG2-CD1 3.95Å; I311-L315 HydrophobicContact CG2-CG 4.41Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 VanDerWaalsContact O-CG 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.21Å; I311-L315 PolarHBondContact O-N 2.96Å
312	I	74.4	Confident	69.1	Low	96 Å²	96	94 Å²	94	49%	0.492	56%	0.564	S	S	.	*	H	α-helix	trans	-63.5	-46.1	177.5	-67.4	169.9	0	0	0	110.6	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.63Å; I308-I312 HydrophobicContact CG2-CG1 4.24Å; I308-I312 WeakPolarHBondContact O-CB 3.2Å; I308-I312 VanDerWaalsContact O-CG1 3.25Å; I308-I312 WeakPolarHBondContact O-CG1 3.46Å; I308-I312 PolarHBondContact O-N 2.73Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 2.88Å; I312-L315 PolarHBondContact O-N 3.39Å; I312-V316 HydrophobicContact CG2-CG2 4.36Å; I312-V316 VanDerWaalsContact O-CG2 3.29Å; I312-V316 WeakPolarHBondContact O-CG2 3.34Å; I312-V316 PolarHBondContact O-N 3.43Å
313	A	76	Confident	70.8	Confident	50 Å²	50	94.2 Å²	94.2	41%	0.413	56%	0.562	S	S	.	*	H	α-helix	trans	-60.8	-41.9	176.5	0	0	0	0	0	111.9	V309 V316 L317	V309-A313 VanDerWaalsContact O-CB 3.28Å; V309-A313 WeakPolarHBondContact O-CB 3.32Å; V309-A313 PolarHBondContact O-N 2.87Å; A313-V316 PolarHBondContact O-N 3.23Å; A313-L317 WeakPolarHBondContact O-CB 3.46Å; A313-L317 WeakPolarHBondContact O-CG 3.38Å; A313-L317 PolarHBondContact O-N 3.45Å
314	G	81.1	Confident	72.6	Confident	30 Å²	30	87.8 Å²	87.8	31%	0.309	54%	0.543	S	S	.	.	H	α-helix	trans	-61.9	-44.2	175	0	0	0	0	0	113.1	G310 I311 I312 L317 L318	G310-G314 PolarHBondContact O-N 2.96Å; I311-G314 PolarHBondContact O-N 3.33Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 2.88Å; G314-L317 PolarHBondContact O-N 2.95Å; G314-L318 WeakPolarHBondContact O-CB 3.42Å; G314-L318 PolarHBondContact O-N 3.5Å
315	L	85.9	Confident	74.5	Confident	114 Å²	114	84.9 Å²	84.9	60%	0.597	53%	0.53	S	S	*	.	H	α-helix	trans	-66.9	-39.2	178.1	-73.7	171.6	0	0	0	112.5	I311 I312 L318 G319	I311-L315 HydrophobicContact CG2-CD1 3.95Å; I311-L315 HydrophobicContact CG2-CG 4.41Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 VanDerWaalsContact O-CG 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.21Å; I311-L315 PolarHBondContact O-N 2.96Å; I312-L315 PolarHBondContact O-N 3.39Å; L315-L318 PolarHBondContact O-N 3.22Å; L315-G319 PolarHBondContact O-N 2.98Å
316	V	84.6	Confident	76.2	Confident	98 Å²	98	83.7 Å²	83.7	59%	0.594	52%	0.522	S	S	*	.	H	α-helix	trans	-65	-43.3	175.8	171.1	0	0	0	0	110.9	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.36Å; I312-V316 VanDerWaalsContact O-CG2 3.29Å; I312-V316 WeakPolarHBondContact O-CG2 3.34Å; I312-V316 PolarHBondContact O-N 3.43Å; A313-V316 PolarHBondContact O-N 3.23Å; V316-G319 PolarHBondContact O-N 3.47Å; V316-A320 WeakPolarHBondContact O-CB 3.39Å; V316-A320 PolarHBondContact O-N 3.41Å
317	L	82.3	Confident	77.1	Confident	118 Å²	118	82.2 Å²	82.2	62%	0.618	52%	0.518	S	S	*	.	H	α-helix	trans	-63.8	-44.4	176.3	-75.2	169.7	0	0	0	111.8	A313 G314 G319 A320 V321	A313-L317 WeakPolarHBondContact O-CB 3.46Å; A313-L317 WeakPolarHBondContact O-CG 3.38Å; A313-L317 PolarHBondContact O-N 3.45Å; G314-L317 PolarHBondContact O-N 2.95Å; L317-G319 VanDerWaalsContact C-N 3.35Å; L317-G319 PolarHBondContact O-N 2.96Å; L317-A320 PolarHBondContact O-N 2.92Å; L317-V321 VanDerWaalsContact O-CG2 3.31Å; L317-V321 WeakPolarHBondContact O-CG2 3.35Å; L317-V321 PolarHBondContact O-N 3.35Å
318	L	83.6	Confident	77.9	Confident	107 Å²	107	80.4 Å²	80.4	56%	0.56	51%	0.511	S	S	*	.	H	α-helix	trans	-59.5	-44.9	174	-94.3	152.4	0	0	0	111.8	G314 L315 A320 V321 I322	G314-L318 WeakPolarHBondContact O-CB 3.42Å; G314-L318 PolarHBondContact O-N 3.5Å; L315-L318 PolarHBondContact O-N 3.22Å; L318-A320 VanDerWaalsContact C-N 3.34Å; L318-A320 PolarHBondContact O-N 3.34Å; L318-V321 PolarHBondContact O-N 3.08Å; L318-I322 WeakPolarHBondContact O-CD1 3.34Å; L318-I322 VanDerWaalsContact O-CG1 3.23Å; L318-I322 WeakPolarHBondContact O-CG1 3.47Å; L318-I322 PolarHBondContact O-N 3.37Å
319	G	83.6	Confident	78.5	Confident	36 Å²	36	78.1 Å²	78.1	37%	0.371	51%	0.508	S	S	.	.	H	α-helix	trans	-57.8	-45.9	175.3	0	0	0	0	0	112.4	L315 V316 L317 I322 T323	L315-G319 PolarHBondContact O-N 2.98Å; V316-G319 PolarHBondContact O-N 3.47Å; L317-G319 VanDerWaalsContact C-N 3.35Å; L317-G319 PolarHBondContact O-N 2.96Å; G319-I322 PolarHBondContact O-N 2.98Å; G319-T323 PolarHBondContact O-N 3.49Å; G319-T323 PolarHBondContact O-OG1 2.83Å
320	A	81.9	Confident	79.3	Confident	58 Å²	58	76.1 Å²	76.1	48%	0.479	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-40.6	178.7	0	0	0	0	0	112.8	V316 L317 L318 T323 G324	V316-A320 WeakPolarHBondContact O-CB 3.39Å; V316-A320 PolarHBondContact O-N 3.41Å; L317-A320 PolarHBondContact O-N 2.92Å; L318-A320 VanDerWaalsContact C-N 3.34Å; L318-A320 PolarHBondContact O-N 3.34Å; A320-T323 WeakPolarHBondContact CA-OG1 3.49Å; A320-T323 PolarHBondContact O-OG1 3.4Å; A320-G324 PolarHBondContact O-N 3.02Å
321	V	85	Confident	79.6	Confident	101 Å²	101	80.1 Å²	80.1	61%	0.612	50%	0.503	S	S	*	.	H	α-helix	trans	-65.1	-43.8	176.3	171.7	0	0	0	0	111	L317 L318 G324 A325	L317-V321 VanDerWaalsContact O-CG2 3.31Å; L317-V321 WeakPolarHBondContact O-CG2 3.35Å; L317-V321 PolarHBondContact O-N 3.35Å; L318-V321 PolarHBondContact O-N 3.08Å; V321-G324 PolarHBondContact O-N 3.19Å; V321-A325 WeakPolarHBondContact O-CB 3.46Å; V321-A325 PolarHBondContact O-N 3Å
322	I	82.8	Confident	79.6	Confident	104 Å²	104	85.4 Å²	85.4	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-46.5	178.7	-67.5	166.3	0	0	0	110.2	L318 G319 G324 A325 V326	L318-I322 WeakPolarHBondContact O-CD1 3.34Å; L318-I322 VanDerWaalsContact O-CG1 3.23Å; L318-I322 WeakPolarHBondContact O-CG1 3.47Å; L318-I322 PolarHBondContact O-N 3.37Å; G319-I322 PolarHBondContact O-N 2.98Å; I322-G324 PolarHBondContact O-N 3.48Å; I322-A325 PolarHBondContact O-N 2.89Å; I322-V326 HydrophobicContact CG2-CG2 4.49Å; I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.39Å; I322-V326 PolarHBondContact O-N 2.87Å
323	T	78.1	Confident	79.2	Confident	88 Å²	88	90.2 Å²	90.2	54%	0.54	53%	0.53	S	S	.	.	H	α-helix	trans	-63	-42.7	176.7	27.8	0	0	0	0	112	G319 A320 A325 V326 V327	G319-T323 PolarHBondContact O-N 3.49Å; G319-T323 PolarHBondContact O-OG1 2.83Å; A320-T323 WeakPolarHBondContact CA-OG1 3.49Å; A320-T323 PolarHBondContact O-OG1 3.4Å; T323-A325 PolarHBondContact O-N 3.39Å; T323-V326 PolarHBondContact O-N 2.7Å; T323-V327 VanDerWaalsContact O-CG2 3.31Å; T323-V327 WeakPolarHBondContact O-CG2 3.44Å; T323-V327 PolarHBondContact O-N 3.09Å
324	G	80.3	Confident	78.4	Confident	42 Å²	42	97.1 Å²	97.1	43%	0.433	55%	0.545	S	S	.	.	H	α-helix	trans	-59	-44.5	174.2	0	0	0	0	0	112.8	A320 V321 I322 V327 A328	A320-G324 PolarHBondContact O-N 3.02Å; V321-G324 PolarHBondContact O-N 3.19Å; I322-G324 PolarHBondContact O-N 3.48Å; G324-V327 PolarHBondContact O-N 3.04Å; G324-A328 WeakPolarHBondContact O-CB 3.41Å; G324-A328 PolarHBondContact O-N 3.43Å
325	A	79.6	Confident	77.2	Confident	59 Å²	59	104 Å²	104	49%	0.488	57%	0.566	S	S	.	*	H	α-helix	trans	-64.9	-40.5	177.4	0	0	0	0	0	112.4	V321 I322 T323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.46Å; V321-A325 PolarHBondContact O-N 3Å; I322-A325 PolarHBondContact O-N 2.89Å; T323-A325 PolarHBondContact O-N 3.39Å; A325-A328 PolarHBondContact O-N 2.97Å; A325-A329 VanDerWaalsContact O-CB 3.3Å; A325-A329 WeakPolarHBondContact O-CB 3.46Å; A325-A329 PolarHBondContact O-N 2.73Å
326	V	81.9	Confident	75.6	Confident	85 Å²	85	102.2 Å²	102.2	52%	0.515	56%	0.563	S	S	.	*	H	α-helix	trans	-64.3	-45.8	175.8	171.8	0	0	0	0	110.8	I322 T323 A329 V330	I322-V326 HydrophobicContact CG2-CG2 4.49Å; I322-V326 VanDerWaalsContact O-CG2 3.28Å; I322-V326 WeakPolarHBondContact O-CG2 3.39Å; I322-V326 PolarHBondContact O-N 2.87Å; T323-V326 PolarHBondContact O-N 2.7Å; V326-A329 PolarHBondContact O-N 2.89Å; V326-V330 HydrophobicContact CG1-CG2 4.41Å; V326-V330 WeakPolarHBondContact O-CB 3.14Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.34Å; V326-V330 PolarHBondContact O-N 3.18Å
327	V	79	Confident	74	Confident	86 Å²	86	101.5 Å²	101.5	52%	0.521	56%	0.563	S	S	.	*	H	α-helix	trans	-62.4	-44.8	177.3	172.5	0	0	0	0	110.8	T323 G324 A329 V330 M331	T323-V327 VanDerWaalsContact O-CG2 3.31Å; T323-V327 WeakPolarHBondContact O-CG2 3.44Å; T323-V327 PolarHBondContact O-N 3.09Å; G324-V327 PolarHBondContact O-N 3.04Å; V327-A329 PolarHBondContact O-N 2.88Å; V327-V330 PolarHBondContact O-N 2.73Å; V327-M331 HydrophobicContact CG1-CG 4.44Å; V327-M331 HydrophobicContact CG1-SD 4.16Å; V327-M331 WeakPolarHBondContact O-CB 3.42Å; V327-M331 WeakPolarHBondContact O-CG 3.46Å; V327-M331 PolarHBondContact O-N 2.99Å
328	A	75.4	Confident	72.4	Confident	55 Å²	55	103.2 Å²	103.2	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-61.4	-42.5	176.3	0	0	0	0	0	112.1	G324 A325 M331 W332	G324-A328 WeakPolarHBondContact O-CB 3.41Å; G324-A328 PolarHBondContact O-N 3.43Å; A325-A328 PolarHBondContact O-N 2.97Å; A328-M331 PolarHBondContact O-N 3.21Å; A328-W332 WeakPolarHBondContact O-CB 3.31Å; A328-W332 PolarHBondContact O-N 2.97Å
329	A	74.9	Confident	70.7	Confident	56 Å²	56	109 Å²	109	46%	0.463	59%	0.587	S	S	.	*	H	α-helix	trans	-65.6	-39.1	176.1	0	0	0	0	0	112.6	A325 V326 V327 W332 R333	A325-A329 VanDerWaalsContact O-CB 3.3Å; A325-A329 WeakPolarHBondContact O-CB 3.46Å; A325-A329 PolarHBondContact O-N 2.73Å; V326-A329 PolarHBondContact O-N 2.89Å; V327-A329 PolarHBondContact O-N 2.88Å; A329-W332 PolarHBondContact O-N 2.89Å; A329-R333 PolarHBondContact O-N 2.85Å
330	V	74.5	Confident	68.6	Low	77 Å²	77	116.8 Å²	116.8	47%	0.467	61%	0.611	S	S	.	*	H	α-helix	trans	-66.7	-43	175.2	170	0	0	0	0	111.1	V326 V327 W332 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.41Å; V326-V330 WeakPolarHBondContact O-CB 3.14Å; V326-V330 VanDerWaalsContact O-CG2 3.27Å; V326-V330 WeakPolarHBondContact O-CG2 3.34Å; V326-V330 PolarHBondContact O-N 3.18Å; V327-V330 PolarHBondContact O-N 2.73Å; V330-W332 VanDerWaalsContact C-N 3.34Å; V330-R333 PolarHBondContact O-N 2.75Å; V330-R334 PolarHBondContact O-N 3.1Å
331	M	74.3	Confident	66.4	Low	129 Å²	129	118.1 Å²	118.1	64%	0.635	63%	0.63	S	S	*	*	H	α-helix	trans	-64.1	-39.1	174.7	-73.7	-176	67.6	0	0	111.9	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.44Å; V327-M331 HydrophobicContact CG1-SD 4.16Å; V327-M331 WeakPolarHBondContact O-CB 3.42Å; V327-M331 WeakPolarHBondContact O-CG 3.46Å; V327-M331 PolarHBondContact O-N 2.99Å; A328-M331 PolarHBondContact O-N 3.21Å; M331-R334 PolarHBondContact O-N 3.25Å; M331-K335 WeakPolarHBondContact O-CB 3.03Å; M331-K335 PolarHBondContact O-N 2.88Å
332	W	71.6	Confident	64	Low	204 Å²	204	117.1 Å²	117.1	77%	0.773	64%	0.64	S	S	*	*	H	α-helix	trans	-63.8	-44	174	-159.4	-43.8	0	0	0	111	A328 A329 V330 R334 K335 S336	A328-W332 WeakPolarHBondContact O-CB 3.31Å; A328-W332 PolarHBondContact O-N 2.97Å; A329-W332 PolarHBondContact O-N 2.89Å; V330-W332 VanDerWaalsContact C-N 3.34Å; W332-R334 PolarHBondContact O-N 3.1Å; W332-K335 PolarHBondContact O-N 3.17Å; W332-S336 PolarHBondContact O-N 3.07Å; W332-S336 PolarHBondContact O-OG 2.98Å
333	R	65.8	Low	61.7	Low	198 Å²	198	117.2 Å²	117.2	75%	0.747	65%	0.65	S	S	*	*	H	α-helix	trans	-59.4	-45	174.2	-83.4	-170.9	-178.8	179.7	2.2	112	A329 V330 K335 S336 S337	A329-R333 PolarHBondContact O-N 2.85Å; V330-R333 PolarHBondContact O-N 2.75Å; R333-K335 VanDerWaalsContact C-N 3.34Å; R333-K335 PolarHBondContact O-N 3.3Å; R333-S336 WeakPolarHBondContact CA-OG 3.4Å; R333-S336 PolarHBondContact O-N 2.67Å; R333-S336 PolarHBondContact O-OG 2.81Å; R333-S337 PolarHBondContact O-N 3.39Å; R333-S337 VanDerWaalsContact O-N 3.1Å; R333-S337 PolarHBondContact O-OG 3.1Å
334	R	60.9	Low	59.7	Low	194 Å²	194	124 Å²	124	73%	0.732	67%	0.667	S	S	*	*	H	α-helix	trans	-61.5	-38.3	174.9	-85.5	-170.9	170.9	-176.7	-2.1	113	V330 M331 W332 S336 S337	V330-R334 PolarHBondContact O-N 3.1Å; M331-R334 PolarHBondContact O-N 3.25Å; W332-R334 PolarHBondContact O-N 3.1Å; R334-S336 VanDerWaalsContact C-N 3.34Å; R334-S337 WeakPolarHBondContact CA-OG 2.92Å; R334-S337 PolarHBondContact O-N 3.12Å; R334-S337 PolarHBondContact O-OG 3.22Å
335	K	54.7	Low	57.5	Low	174 Å²	174	128 Å²	128	76%	0.757	68%	0.683	S	S	*	*	H	α-helix	trans	-73.8	-25	177.5	-164.3	171.7	-178.7	178.2	0	112.9	M331 W332 R333	M331-K335 WeakPolarHBondContact O-CB 3.03Å; M331-K335 PolarHBondContact O-N 2.88Å; W332-K335 PolarHBondContact O-N 3.17Å; R333-K335 VanDerWaalsContact C-N 3.34Å; R333-K335 PolarHBondContact O-N 3.3Å
336	S	53.1	Low	55.4	Low	77 Å²	77	134.4 Å²	134.4	54%	0.538	70%	0.703	S	S	.	*	H	α-helix	trans	-83	-20	174.8	65	0	0	0	0	114.3	W332 R333 R334	W332-S336 PolarHBondContact O-N 3.07Å; W332-S336 PolarHBondContact O-OG 2.98Å; R333-S336 WeakPolarHBondContact CA-OG 3.4Å; R333-S336 PolarHBondContact O-N 2.67Å; R333-S336 PolarHBondContact O-OG 2.81Å; R334-S336 VanDerWaalsContact C-N 3.34Å
337	S	51.2	Low	52.9	Low	83 Å²	83	134.8 Å²	134.8	58%	0.58	72%	0.715	S	S	*	*	H	α-helix	trans	-78.9	-19.1	172.4	48.2	0	0	0	0	113.6	R333 R334 R339	R333-S337 PolarHBondContact O-N 3.39Å; R333-S337 VanDerWaalsContact O-N 3.1Å; R333-S337 PolarHBondContact O-OG 3.1Å; R334-S337 WeakPolarHBondContact CA-OG 2.92Å; R334-S337 PolarHBondContact O-N 3.12Å; R334-S337 PolarHBondContact O-OG 3.22Å; S337-R339 VanDerWaalsContact C-N 3.27Å; S337-R339 PolarHBondContact O-N 3.05Å
338	D	48.8	Very low	50.8	Low	154 Å²	154	135.1 Å²	135.1	82%	0.824	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	10.3	-176.3	-124.5	9.1	0	0	0	114.3
339	R	46.9	Very low	48.8	Very low	228 Å²	228	138 Å²	138	86%	0.86	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	36.3	-177.5	-156.6	177.3	167.4	159.1	-2.6	113.3	S337	S337-R339 VanDerWaalsContact C-N 3.27Å; S337-R339 PolarHBondContact O-N 3.05Å
340	K	40.5	Very low	47	Very low	201 Å²	201	140.2 Å²	140.2	87%	0.874	76%	0.756	S	S	*	*			trans	-154.7	111	167.2	-110.5	178.4	-176.7	-178.8	0	113.5
341	G	36.1	Very low	45.1	Very low	86 Å²	86	143.9 Å²	143.9	89%	0.887	77%	0.773	S	S	*	*			trans	94.6	131.1	155.4	0	0	0	0	0	114.9
342	G	33.2	Very low	43.5	Very low	79 Å²	79	142.9 Å²	142.9	81%	0.814	78%	0.779	S	S	*	*			cis	178.4	145.5	4.8	0	0	0	0	0	108.7
343	S	35.6	Very low	41.8	Very low	106 Å²	106	137.3 Å²	137.3	74%	0.741	78%	0.776	S	S	*	*			trans	-69.4	133.3	171.8	158	0	0	0	0	110.8
344	Y	36.5	Very low	40.4	Very low	231 Å²	231	137.3 Å²	137.3	91%	0.906	79%	0.785	S	S	*	*			trans	-165.1	148.2	136.1	-93.5	-69.9	0	0	0	110.6
345	T	33.8	Very low	39.1	Very low	125 Å²	125	131.1 Å²	131.1	77%	0.767	78%	0.781	S	S	*	*			trans	-93.9	167.3	-166.9	36.3	0	0	0	0	115.7
346	Q	33.8	Very low	38.3	Very low	194 Å²	194	128.5 Å²	128.5	91%	0.907	79%	0.785	S	S	*	*			trans	95.1	135.4	153.9	-156.9	167.3	10.5	0	0	115.4
347	A	31	Very low	37.6	Very low	93 Å²	93	132.2 Å²	132.2	77%	0.769	80%	0.798	S	S	*	*			cis	-153.9	178.9	14.8	0	0	0	0	0	111.6
348	A	35.2	Very low	37	Very low	94 Å²	94	134.6 Å²	134.6	78%	0.777	81%	0.809	S	S	*	*			trans	-91	180	-165.6	0	0	0	0	0	117.6
349	S	33.2	Very low	36.6	Very low	116 Å²	116	132.1 Å²	132.1	81%	0.811	80%	0.804	S	S	*	*			trans	88.1	139.8	167.9	92.7	0	0	0	0	115.3
350	S	36	Very low	36.3	Very low	101 Å²	101	128.9 Å²	128.9	71%	0.706	80%	0.803	S	S	*	*			cis	-163.3	160.6	14.9	34.3	0	0	0	0	109.9
351	D	35.6	Very low	36.4	Very low	154 Å²	154	125.2 Å²	125.2	82%	0.824	80%	0.798	S	S	*	*			trans	13.8	149.6	143.5	-62	-25.5	0	0	0	119.3
352	S	39.8	Very low	36.5	Very low	109 Å²	109	126 Å²	126	76%	0.762	80%	0.795	S	S	*	*			cis	-172.9	153	26.1	14.2	0	0	0	0	110.4
353	A	36.4	Very low	37	Very low	86 Å²	86	128.4 Å²	128.4	71%	0.711	80%	0.798	S	S	*	*			trans	30.4	138	136.1	0	0	0	0	0	124.4
354	Q	37.2	Very low	37.4	Very low	199 Å²	199	133 Å²	133	93%	0.93	81%	0.805	S	S	*	*				87.3	136.3	128.5	-120	171.4	-3.7	0	0	121.5
355	G	33.3	Very low	37.8	Very low	63 Å²	63	132 Å²	132	65%	0.649	82%	0.823	S	S	*	*			trans	115.8	90.8	151.9	0	0	0	0	0	114.6
356	S	37.2	Very low	38	Very low	120 Å²	120	132.4 Å²	132.4	84%	0.839	83%	0.825	S	S	*	*				79.8	120.9	88.1	-55.9	0	0	0	0	115.1
357	D	39.2	Very low	38.2	Very low	154 Å²	154	129.2 Å²	129.2	82%	0.824	82%	0.821	S	S	*	*			trans	5	140	150.8	-64.3	-39.8	0	0	0	120.4
358	V	37.3	Very low	38.6	Very low	134 Å²	134	131.2 Å²	131.2	81%	0.812	82%	0.824	S	S	*	*				-178.9	142.9	102.7	152.4	0	0	0	0	110.9
359	S	40.5	Very low	38.8	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	83%	0.827	S	S	*	*			trans	-57.7	159.9	176.8	-36.6	0	0	0	0	114.9
360	L	41	Very low	39.2	Very low	159 Å²	159	134.4 Å²	134.4	83%	0.832	83%	0.828	S	S	*	*				-176.2	121.9	118.4	-94.7	163.8	0	0	0	112
361	T	42.2	Very low	39.4	Very low	125 Å²	125	136.7 Å²	136.7	77%	0.767	84%	0.836	S	S	*	*			trans	-5.2	142.4	146.3	12.3	0	0	0	0	120.1
362	A	39.3	Very low	39.6	Very low	101 Å²	101	135.4 Å²	135.4	84%	0.835	84%	0.837	S	S	*	*				-167.4	121.3	114.5	0	0	0	0	0	111.9
363	C	43.6	Very low	39.6	Very low	130 Å²	130	137.5 Å²	137.5	88%	0.878	84%	0.843	S	S	*	*			trans	-81.8	150.6	155.9	-84.1	0	0	0	0	109.7
364	K	43	Very low	39.9	Very low	202 Å²	202	141.8 Å²	141.8	88%	0.878	85%	0.854	S	S	*	*			trans	-148.5	117.8	150.6	-140.6	170.3	-174.5	174.6	0	111.4
365	V	44.9	Very low	40.1	Very low	212 Å²	212	136.5 Å²	136.5	100%	1.285	85%	0.847	S	S	*	*			trans	8.8	0	150.9	-169.6	0	0	0	0	117.7

Retrieved 365 of 365 residues in 300.9 ms (Link to these results)

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